smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c(-c2cc3ccc(O)c(CN4CCCCCC4)c3oc2=O)nc2ccccc21 1155575 IFELNQIONKPPGK-UHFFFAOYSA-N 403.482 4.428 10 50 HICA biogenic CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2 101714309 INVWZBUELNTXFW-PYTWLRIVSA-N 417.527 4.045 10 50 HICA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 15722412 VFTYGISDUVOMLP-VZUCSPMQSA-N 411.628 4.019 10 50 HICA COc1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)c(OC)c1 100288998 HIAGDYZPOMYYCU-RQZCQDPDSA-N 401.260 4.272 10 50 HICA COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)cc1 1191159 VTYZPJYOWFTVHT-KGENOOAVSA-N 415.405 4.144 10 50 HICA Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4O)S3)CC2)cc1Cl 4834569 JOMKECOAZIGIKR-XDHOZWIPSA-N 413.930 4.147 10 50 HICA COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)CC2)cc1 2695481 WLRVVSHKNDLORG-QGZVFWFLSA-N 402.922 4.082 10 50 HICA COc1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)NC1=O 2878547 RYWCOGGHJQJYPU-QGOAFFKASA-N 401.509 4.032 10 50 HICA CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cc(OC)ccc2O)CC1 12075088 RCHFPOHHGQPTSE-UHFFFAOYSA-N 413.514 4.015 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCC2 17091925 XSNLJBKPXBLLRQ-DNDXXGFKSA-N 419.543 4.268 10 50 HICA COCCc1noc([C@@H]2CCCCN2C(=O)c2cc(C)n(-c3ccccc3)c2C)n1 952979061 DADOLOBYZNLSII-FQEVSTJZSA-N 408.502 4.033 10 50 HICA CCc1sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1-c1ccccc1 1135072 IBUKSKNTQZURAG-UHFFFAOYSA-N 401.513 4.132 10 50 HICA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(Br)c1 3997111 KEASEEQCHMCLQA-UHFFFAOYSA-N 406.235 4.477 10 50 HICA Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1C 16212306 FBKRNUIZZDRCFZ-KGENOOAVSA-N 413.477 4.065 10 50 HICA COc1ccc2c3c(n(-c4ccc(Cl)nc4)c(=O)c2c1OC)-c1ccccc1C3=O 824764606 MCVLDMGZMAGDFQ-UHFFFAOYSA-N 418.836 4.268 10 50 HICA biogenic Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1Cc1ccccc1 981033 WOEGLWVNPRIRSO-LPYMAVHISA-N 403.457 4.385 10 50 HICA COc1ccc(/C=C2\SC(=S)N(CCC(=O)OC3CCCCC3)C2=O)cc1 16769973 IWLGBUKTRXMIEH-LGMDPLHJSA-N 405.541 4.162 10 50 HICA COc1cccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1 2873978 OCBKIQADKKSROR-LDADJPATSA-N 401.509 4.032 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 245227514 INVWZBUELNTXFW-WRFANHODSA-N 417.527 4.045 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 222243719 GJQWCOQFTRRDFP-HVCLXXKLSA-N 419.543 4.125 10 50 HICA CSc1ccc(CN2CCN(Cc3cc(Br)ccc3O)CC2)cc1 19791485 VHLJHCKYFUWCHF-UHFFFAOYSA-N 407.377 4.194 10 50 HICA C[C@@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 2325729820 HOQKJGAJTFITQQ-GGAORHGYSA-N 412.622 4.473 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCC2 17091905 FKYYYXZWVWYSCY-SMELUJQZSA-N 419.543 4.269 10 50 HICA O=C1[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)cc1 136606795 KKOPTGTXDAZBJH-PWRODBHTSA-N 420.852 4.097 10 50 HICA CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 15855918 OBAPIVIQJSXHMP-AXPJIBDUSA-N 422.466 4.454 10 50 HICA COc1cc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)cc(OC)c1 100309816 JFKZKAQEKXUEDO-UNOMPAQXSA-N 408.483 4.422 10 50 HICA COc1ccc(N2CCN(C(=O)/C=C/c3ccc(OC)c4ccccc34)CC2)cc1 2546453 NUDCZHXRUMCEBA-RIYZIHGNSA-N 402.494 4.219 10 50 HICA O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1ccc(Br)cc1 1136758 HCIKCEQTNYPAJV-ZSOIEALJSA-N 408.298 4.266 10 50 HICA O=C(COc1ccccc1)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 2921421 LRBZWXYIDAWDGK-HXUWFJFHSA-N 408.841 4.471 10 50 HICA CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCOc1cccc(C)c1 2997863 AIJAZDFFRCFYQC-CPNJWEJPSA-N 415.536 4.340 10 50 HICA COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 4612024 AFQXKQJEHYHJAO-MCIONIFRSA-N 419.543 4.291 10 50 HICA COc1ccc(-n2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)cc1 824695155 MMJRBHQXIJEFDN-UHFFFAOYSA-N 413.429 4.228 10 50 HICA biogenic Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1 8739628 JXEBWXXRLNXFDO-YBFXNURJSA-N 420.856 4.013 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCC2 17091926 XSNLJBKPXBLLRQ-CXMPNGEBSA-N 419.543 4.268 10 50 HICA CCc1nnc(CSc2ncc(-c3ccc(Br)cc3)n2CC)n1C 749747911 JBJADDDTFGGRAN-UHFFFAOYSA-N 406.353 4.316 10 50 HICA CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC 15822207 MFBZKSMCDVXJTE-YVLHZVERSA-N 414.889 4.216 10 50 HICA Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 32694331 WSADNYYSESYYNB-LDADJPATSA-N 413.520 4.250 10 50 HICA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 1192100 BAIBRLINRHPWAN-LJQANCHMSA-N 414.962 4.146 10 50 HICA COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c1 11847384 LRXZDXXIJDRIBV-FOWTUZBSSA-N 418.565 4.377 10 50 HICA Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc(F)c1 1186787 SINZPVZTZOPMNO-KEBDBYFISA-N 421.403 4.039 10 50 HICA COc1ccc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1 4623422 QCAVIYAPWRNYAK-UHFFFAOYSA-N 414.571 4.254 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(C4C5CC6CC(C5)CC4C6)C3)CC2)cc1 19789651 RWWGYYVFDTXYDF-HVULOAKNSA-N 409.618 4.106 10 50 HICA O=c1cc(-c2ccccc2)oc2c(CN3CCCC3)c(O)c(CN3CCCC3)c(O)c12 20109702 MBDLIGBOEVUIHH-UHFFFAOYSA-N 420.509 4.063 10 50 HICA biogenic O=C(CCC1CCN(Cc2cc(Cl)ccc2O)CC1)NCc1ccc(F)cc1 11873234 VBDHDHOODWPIHJ-UHFFFAOYSA-N 404.913 4.493 10 50 HICA Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2C 32626897 UJCCEYNLGNYXID-RCCKNPSSSA-N 407.473 4.270 10 50 HICA Cc1ccc(C)c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1 4891433 YGXFPWZALLBMIJ-UHFFFAOYSA-N 400.390 4.239 10 50 HICA Oc1ccc(-c2ncccn2)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 20452017 LOECPXOQLVGOJD-UHFFFAOYSA-N 414.431 4.190 10 50 HICA COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(OC)c1OC 1160203 DLEMZZWIZVFAIK-GDNBJRDFSA-N 405.472 4.257 10 50 HICA Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(F)c1 1161167 VHBZRISVKUBQPQ-SRZZPIQSSA-N 407.420 4.465 10 50 HICA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1 8739133 LCZPBRWBBAGASA-LDADJPATSA-N 416.389 4.460 10 50 HICA COc1ccccc1OCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1 4755052 NEYOQYCWWREKPP-QGOAFFKASA-N 401.509 4.032 10 50 HICA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 2942568 TVMGHSOEFYWQDM-PBXDPIQXSA-N 408.504 4.065 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(Cc4cc5ccccc5o4)C3)CC2)cc1 19842308 GFEFCLVDRRCTEK-QFIPXVFZSA-N 405.542 4.228 10 50 HICA COc1ccc(N2CCC(N(C)C(=O)c3c[nH]nc3-c3ccccc3Cl)CC2)cc1 1875265244 KZZRMFZURUVBDQ-UHFFFAOYSA-N 424.932 4.480 10 50 HICA O=C1/C(=C/NCc2cccs2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 100408670 OFXMXAPLMYBVNU-PKNBQFBNSA-N 408.430 4.296 10 50 HICA COc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 4553165 LIIODXKQJNFVAT-OQLLNIDSSA-N 401.260 4.272 10 50 HICA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(Cl)c1Cl 797876 GFFWIXFLVBWBJD-DHDCSXOGSA-N 403.265 4.261 10 50 HICA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1 13482531 YUZUWKNZRQJMQM-KAMYIIQDSA-N 403.554 4.072 10 50 HICA aggregator CCOC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)cc1 793756 DMGOHTACNWDALG-UHFFFAOYSA-N 402.406 4.038 10 50 HICA COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(OC)c1OC 1159449 UFDCRNBQDCZQKN-BOPFTXTBSA-N 401.509 4.427 10 50 HICA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1 2305424 PWJJIPLEGRVLQL-RVDMUPIBSA-N 404.538 4.074 10 50 HICA CCc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)c1 263617150 MHAXOQYNBMIXHJ-UHFFFAOYSA-N 414.502 4.167 10 50 HICA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCN(c2ccc(F)cc2)CC1 55244755 CVSIOCQRIHSBEV-UHFFFAOYSA-N 406.457 4.249 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc5cccnc45)C3)CC2)cc1 19224604 AMNZMWZWZXZYHY-XMMPIXPASA-N 416.569 4.030 10 50 HICA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 2789385 VJIHFVPHGNLVEN-UHFFFAOYSA-N 417.465 4.136 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(F)cc4Cl)C3)CC2)cc1 22851579 CTSAWNAZQBOORC-OAQYLSRUSA-N 417.956 4.274 10 50 HICA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 15659353 XQHFMPRGQICYNV-PDGQHHTCSA-N 422.893 4.333 10 50 HICA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2cc(OC)ccc2O)CC1 12455554 JJUDYDBKGWTWKS-UHFFFAOYSA-N 417.933 4.442 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 35898127 PYDNKZZUYLKQJX-HFBAOOFYSA-N 419.543 4.435 10 50 HICA C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)C1 44854986 ZXWLWGLDLORQAZ-NHCUHLMSSA-N 421.585 4.246 10 50 HICA N=C1/C(=C/c2ccc(Br)o2)C(=O)N=C2SC=C(c3ccccc3)N12 30684123 PPYPWKWVGMKZLM-RFCLUPQTSA-N 400.257 4.346 10 50 HICA O=C(c1cccs1)N1CCC[C@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506403195 WTJLBLADLPWGMZ-NRFANRHFSA-N 409.599 4.100 10 50 HICA CCOc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1CO 12090248 LEWKJIBUJYNJGY-CQSZACIVSA-N 401.457 4.201 10 50 HICA CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2 4894250 VOLYQIPGIGYEAK-UONOGXRCSA-N 405.516 4.189 10 50 HICA C[C@@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 2325729819 HOQKJGAJTFITQQ-FYYLOGMGSA-N 412.622 4.473 10 50 HICA Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 1069882 FFRNBXBEOXIFKN-MHWRWJLKSA-N 413.355 4.162 10 50 HICA CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N=C2S1 4857007 VDTVYEQLPGNHQC-MQIWZSEOSA-N 408.458 4.434 10 50 HICA O=C(O)CN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S 2991663 LLKQSHGIKSFNCO-KPKJPENVSA-N 411.913 4.370 10 50 HICA Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N(c4ccccc4)O[C@H]3C2=O)c(C)c1 230033931 BLQLYXPJSHXHPC-YTFSRNRJSA-N 414.461 4.060 10 50 HICA CCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc(C)c3)c(OC)c2)SC1=S 1207011 QIRIIKZUOKPRFW-PDGQHHTCSA-N 413.520 4.444 10 50 HICA CC(C)(C)n1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 30803243 GXRDYTBLDYXOGJ-ZRDIBKRKSA-N 422.337 4.381 10 50 HICA COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl 1199073 TZBFQDLBLIOJCH-NTUHNPAUSA-N 421.305 4.142 10 50 HICA COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)o2)cc1 3864081 WPYLIEXTYABALV-QNPDVEALSA-N 422.466 4.008 10 50 HICA COC(=O)COc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)cc1 37613804 VZXVOBLGRSMRPJ-SIFCLUCFSA-N 413.857 4.417 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCC2 17091923 XSNLJBKPXBLLRQ-YCUKKYJWSA-N 419.543 4.268 10 50 HICA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)o1 15800184 LTJDZDKGPQIWSH-YVLHZVERSA-N 421.365 4.259 10 50 HICA COc1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)cc1 55545152 ZJZRYLBMXBZUGD-UHFFFAOYSA-N 419.312 4.374 10 50 HICA O=C(c1ccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)cc1)N1CCCC1 1506416570 FCNMBJQSBDQILG-UHFFFAOYSA-N 403.570 4.170 10 50 HICA COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1C(C)C 1185430 PEDTUDZDEJIZSU-LFIBNONCSA-N 412.486 4.097 10 50 HICA COc1ccc(CCN2CCC[C@H](CN(C)Cc3cc(Cl)ccc3O)C2)cc1 55061116 SZSIGUSJAAIMHM-LJQANCHMSA-N 402.966 4.441 10 50 HICA CC1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1 4754609 JCXYYUPJCWUNCT-FOWTUZBSSA-N 408.976 4.190 10 50 HICA COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OC(C)=O 15723512 WLQGXZJBSNGJOQ-OQLLNIDSSA-N 415.239 4.364 10 50 HICA COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)c1 1218346 VIFURLZTIBKXBR-BOPFTXTBSA-N 416.499 4.064 10 50 HICA CCn1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 9111311 PBFBPNDVGVSFDV-LICLKQGHSA-N 409.898 4.146 10 50 HICA COc1cccc(-c2ccc(O)c(CN3CCN(C/C=C/c4ccccc4)CC3)c2)n1 23362111 FDYKWWUHOSWGRY-RMKNXTFCSA-N 415.537 4.294 10 50 HICA COc1ccccc1OCCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O 15857329 LNKNTVABWPPFMC-XMHGGMMESA-N 415.536 4.374 10 50 HICA CCCOc1ccccc1/C=C1\SC(N2CCN(c3ccccc3)CC2)=NC1=O 12437201 YYBQPFZSKUEXGC-FXBPSFAMSA-N 407.539 4.268 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCC2 239184749 QWYYJWBCGZOZOL-WRFANHODSA-N 417.527 4.045 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 169619734 AEKZUEJIEWTYSI-HZSPNIEDSA-N 405.516 4.044 10 50 HICA Cc1ccc(C)c(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)c1 13809740 QTYGFPCZEAKECN-HXUWFJFHSA-N 418.380 4.237 10 50 HICA O=C1/C(=C2\CCCN2)C(c2cc([N+](=O)[O-])c(Cl)cc2Cl)=NN1c1ccccc1 111292419 SGEYBKJGOJWBAB-BMRADRMJSA-N 417.252 4.290 10 50 HICA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 1195034 VGJFEDZBOZBKJF-RCCKNPSSSA-N 414.486 4.097 10 50 HICA O=C1NC(=S)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 16264883 CWQITVPYPCLHRB-YBEGLDIGSA-N 412.854 4.020 10 50 HICA Cc1ccc(C(=O)N/C(=C/c2ccc(N(C)C)cc2)C(=O)NC2CCCCC2)cc1 825087 BQFOZULAAGKTAA-HAVVHWLPSA-N 405.542 4.281 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 5951521 VLJRHBZZJIXPBY-KGLIPLIRSA-N 405.516 4.189 10 50 HICA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 1105889 JORZVONPZWRUIE-NTCAYCPXSA-N 424.478 4.401 10 50 HICA O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1ccc2nc(C(F)(F)F)cn2c1 769973732 KWDFMLMRVOAVKS-UHFFFAOYSA-N 422.370 4.315 10 50 HICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 1178754 MALVHHNDZAYPON-XSFVSMFZSA-N 416.408 4.071 10 50 HICA COc1ccc(-n2c(C)cc(C(=O)OCc3nnc(-c4cccc(O)c4)o3)c2C)cc1 2325879689 DIIFLQSARMWYNN-UHFFFAOYSA-N 419.437 4.215 10 50 HICA Cc1cc(C(=O)N[C@@H]2CC[C@@H](C(=O)O)CCC2(F)F)c(C)n1-c1cccc(F)c1 1875354354 FKBZYIAWXMCBNA-RDTXWAMCSA-N 408.420 4.242 10 50 HICA CC1=CSC2=NC(=O)/C(=C/c3cccc(OC(=O)c4ccccc4F)c3)C(=N)N12 4906310 SFKONSATPNWPQG-XVDLVXLGSA-N 407.426 4.212 10 50 HICA COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C)c2)C1=O 1191090 KIEWBSUSWAJYMD-AQTBWJFISA-N 412.536 4.234 10 50 HICA O=C1[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc(Cl)c1 136626059 VVTBDKZUBGFWKV-PWRODBHTSA-N 420.852 4.097 10 50 HICA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1C 1176783 ILUJHEGUJATCLW-XDHOZWIPSA-N 404.397 4.369 10 50 HICA CCOc1cccc(CN(C)CC2CCN(CCc3ccc(OC)cc3)CC2)c1O 12459674 IHHXSMQLSYLJJM-UHFFFAOYSA-N 412.574 4.186 10 50 HICA CCOC(=O)N1CCN(Cc2cc(-c3cc(C)nc4ccccc34)ccc2O)CC1 11783480 BEITUGLFARLZAY-UHFFFAOYSA-N 405.498 4.190 10 50 HICA CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc(OC)c2O)CC1 11953985 OXNNXZXOFWUOLX-UHFFFAOYSA-N 413.514 4.015 10 50 HICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1 13894345 KWOJQDKZJORTAP-ZHZULCJRSA-N 416.408 4.071 10 50 HICA CCOC(=O)C1(Cc2ccccc2Cl)CCN(Cc2cccc(OC)c2O)CC1 12715198 LXXIMMIPBXYSTM-UHFFFAOYSA-N 417.933 4.442 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 239119523 ISTWGOJEZSJBAO-DVKYCARXSA-N 419.543 4.125 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cc5ccccc5o4)C3)CC2)cc1 19842305 GFEFCLVDRRCTEK-JOCHJYFZSA-N 405.542 4.228 10 50 HICA O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1 16156381 YQFNXKRLNNVNPQ-DFBITEFZSA-N 410.520 4.178 10 50 HICA COc1ccc([C@@H](NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2O)cc1OC 801095 MDXIDWIREKGPHO-LJQANCHMSA-N 414.889 4.473 10 50 HICA Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 1461897 NLQGZVKXLTWART-PQNGQFLHSA-N 424.566 4.151 10 50 HICA Nc1ncnc(Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1[N+](=O)[O-] 4059587 RKIZDFQFXGHTLZ-UHFFFAOYSA-N 404.213 4.248 10 50 HICA Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)NC1=S 658325 FNRCSSQSANSDET-SFQUDFHCSA-N 406.438 4.225 10 50 HICA O=C1N=C(O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 8856710 NTTXNJFFWAHREN-NTCAYCPXSA-N 408.410 4.441 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C(=O)OC(C)C)C1 238997329 AFCOGGVMRMYEPO-RBSFLKMASA-N 419.543 4.434 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@H](CC)C2 239306082 GJQWCOQFTRRDFP-AVVLXZEZSA-N 419.543 4.125 10 50 HICA COc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc(OC)c1O 15011187 SYVCBGRKRHJRAJ-AQTBWJFISA-N 415.536 4.243 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(F)cc4Cl)C3)CC2)cc1 22851580 CTSAWNAZQBOORC-NRFANRHFSA-N 417.956 4.274 10 50 HICA CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c4c(cccc24)CC3)C1=O 5123728 UERKEUZFSMPVBM-RGEXLXHISA-N 412.445 4.004 10 50 HICA Cc1ccc(COc2cccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c2)cc1 32694334 UPCQTTCDZRXTKM-LDADJPATSA-N 413.520 4.250 10 50 HICA CC(=O)NC1CCN(CC(=O)c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)CC1 747836878 VUEQJNHHAKXXKW-UHFFFAOYSA-N 422.356 4.184 10 50 HICA CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)S1 1149496 QULRTQIBULGSFB-MFOYZWKCSA-N 404.850 4.165 10 50 HICA CCN1C(=O)/C(=C\c2cccc(OCCOc3cccc(OC)c3)c2)SC1=S 5102974 UEKFXRXILASENG-CPNJWEJPSA-N 415.536 4.374 10 50 HICA COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O 1023080 GPDRCFKWKBDNIM-OVCLIPMQSA-N 407.900 4.469 10 50 HICA COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O 15011055 SRVSRIWIQWSVDM-ZSOIEALJSA-N 410.314 4.452 10 50 HICA Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)c1 1133495 BXTNLAKNMOGZBX-CPNJWEJPSA-N 419.481 4.065 10 50 HICA COc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1 15857214 PKNDXASQZDAYSR-XMHGGMMESA-N 415.536 4.374 10 50 HICA COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 22107403 HKHPLQHUGPRYBY-PDGQHHTCSA-N 406.825 4.168 10 50 HICA COc1cc(Br)cc(CN2CCN(c3cccc(Cl)c3)CC2)c1O 23281374 YUIFYNWXDDZTJZ-UHFFFAOYSA-N 411.727 4.139 10 50 HICA CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 1153660 HYWJCHRKAGTMDA-SWEABUAFSA-N 412.873 4.492 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2 3864249 XUTXGMTUPLPAHK-ZIAGYGMSSA-N 405.516 4.188 10 50 HICA CN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=O 1123176 KPNLNHARMQMKHE-UHFFFAOYSA-N 419.264 4.006 10 50 HICA CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1 4177198 XVZSPOWKXDBZIS-QGZVFWFLSA-N 417.347 4.025 10 50 HICA Cc1cc(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)no1 12032469 VKUAUUFVARHZAU-SDNWHVSQSA-N 421.569 4.445 10 50 HICA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 1192099 BAIBRLINRHPWAN-IBGZPJMESA-N 414.962 4.146 10 50 HICA COc1cc(Br)cc(CN2CCN(c3cc(C)ccc3C)CC2)c1O 55292343 ZCRWLQGDQIJQMM-UHFFFAOYSA-N 405.336 4.102 10 50 HICA COc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1OC 1219004 SODCIWIGEOKFSE-JOCHJYFZSA-N 414.461 4.477 10 50 HICA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1c(C)cccc1C 15800620 CZTOZJVEAUGAGD-PDGQHHTCSA-N 415.536 4.259 10 50 HICA CCc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S 1135945 HSYMOSUHOMAQOP-BOPFTXTBSA-N 401.509 4.378 10 50 HICA CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)c1C 1149863 HDUHMSRZXODTBD-UHFFFAOYSA-N 423.582 4.344 10 50 HICA CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl 22184927 PAYGURWHPGSGLN-NTEUORMPSA-N 421.305 4.223 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CC[C@H](C)C2 17091921 PYDNKZZUYLKQJX-IUIKQTSFSA-N 419.543 4.435 10 50 HICA COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccccc1C 640791 QITZTSSMMPGLDL-KGENOOAVSA-N 414.461 4.044 10 50 HICA CN1C(=O)/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)SC1=S 4844922 FSNGDIWEAJXCOJ-VCHYOVAHSA-N 409.492 4.429 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1 5953978 AFCOGGVMRMYEPO-KFWWJZLASA-N 419.543 4.434 10 50 HICA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1cccs1 1147445 DUIKPBQEZBNRKN-XNTDXEJSSA-N 405.522 4.197 10 50 HICA O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(O)=NC(=S)N1C1CCCCC1 33630216 BJKQAARUIOUAPX-AQTBWJFISA-N 424.482 4.185 10 50 HICA COc1ccc(C(=O)CN(CC(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 915631 CZUAWLKXLQEFFI-UHFFFAOYSA-N 419.477 4.285 10 50 HICA O=C(NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 8441618 UCHJBZAGODCWHR-UHFFFAOYSA-N 420.877 4.242 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCC2 5951522 VLJRHBZZJIXPBY-ZIAGYGMSSA-N 405.516 4.189 10 50 HICA CCOc1ccc(N2C(=O)/C(=C3/C(=O)N(CC)c4ccccc43)SC2=S)cc1 2286660 BFIZIZVGHKHILD-ZCXUNETKSA-N 410.520 4.228 10 50 HICA O=C1N=C(O)/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(Br)cc1 9045836 XHDBXRGIKGMDBT-OQLLNIDSSA-N 410.227 4.437 10 50 HICA biogenic,in-vitro COc1ccc(N2CCN([C@@H]3CCCN(C/C=C/c4ccccc4OC)C3)CC2)cc1 20324038 RGVFFYLFCJQCNC-GGXQVSFTSA-N 421.585 4.004 10 50 HICA COc1cccc(CN2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)c1O 20780825 XRDUOVACHRGKHS-LJQANCHMSA-N 424.570 4.201 10 50 HICA CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 4177203 XVZSPOWKXDBZIS-KRWDZBQOSA-N 417.347 4.025 10 50 HICA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)C1=O 2978866 NXWCILLDEBRHDF-QGOAFFKASA-N 405.841 4.106 10 50 HICA COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 2325719281 NDZCHKLBYPAOMX-KRWDZBQOSA-N 402.494 4.455 10 50 HICA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 6133309 MBNQKXPZUNTJDC-YLQKULKDSA-N 403.912 4.237 10 50 HICA O=c1c(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc2cccc3c2n1CCC3 217793649 QYEOGYCMHUWNES-UHFFFAOYSA-N 424.416 4.197 10 50 HICA biogenic CCc1cc(=O)oc2cc(C)c(C3=NN[C@H](c4cn(C)c5ccccc45)C3)c(O)c12 2084329452 HPJFRIWUDMHNIE-KRWDZBQOSA-N 401.466 4.300 10 50 HICA CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCCCC4)o3)C2=O)cc1 1180415 OWZXIWJSMUOSPB-NBVRZTHBSA-N 409.442 4.175 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 239119524 ISTWGOJEZSJBAO-NTLKJNNPSA-N 419.543 4.125 10 50 HICA COC(=O)COc1ccccc1/C=C1\SC(=S)N(CCC2CCCCC2)C1=O 1157380 QAGSPWQYCDYLBY-AQTBWJFISA-N 419.568 4.410 10 50 HICA Cc1cc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)no1 1183414 PXJCYZMTWRJKLI-UVTDQMKNSA-N 421.931 4.257 10 50 HICA CN1C(=O)/C(=C2\SC(Nc3ccc(Cl)cc3Cl)=NC2=O)c2ccccc21 1297766 PDWSZQLZOHPNSI-PFONDFGASA-N 404.278 4.422 10 50 HICA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCCC2 239030847 CKHWIUYAVMJLJP-MGBSGCIJSA-N 417.527 4.045 10 50 HICA CCOc1c(Br)cc(Br)cc1/C=C1\SC(=S)NC1=O 12339162 IICWIZNIRUDXNZ-WTKPLQERSA-N 423.151 4.099 10 50 HICA CCc1cc(C)cc(OCCn2cc(/C=C3/C(=O)NC(=O)N=C3O)c3ccccc32)c1 1213478 MWKXWENLVDCOGR-UHFFFAOYSA-N 417.465 4.181 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCC2 3983154 VOLYQIPGIGYEAK-ZIAGYGMSSA-N 405.516 4.189 10 50 HICA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc12 1122099 KPKUQHQWCYEICH-DEDYPNTBSA-N 416.502 4.297 10 50 HICA COc1ccccc1/C=C/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 1159748 MUCPORRWOGPTCX-AGASNCOBSA-N 411.504 4.382 10 50 HICA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 1188717 NSMQJFOWKKEAQD-BJMVGYQFSA-N 412.616 4.016 10 50 HICA COc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c1 1191285 PWEVVNMYXTYQNX-PDGQHHTCSA-N 412.536 4.234 10 50 HICA O=C1C(=Cc2ccccc2O)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 6575957 SDTALRHFJRPGMX-UHFFFAOYSA-N 400.459 4.141 10 50 HICA O=C(NCc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4707466 QUWBAQGZMGEEPE-UHFFFAOYSA-N 412.371 4.476 10 50 HICA CCCCc1ccc(NC(=O)c2cc(N)c3c(c2N)C(=O)c2ccccc2C3=O)cc1 3832835 YKJIMEZEEQVOQR-UHFFFAOYSA-N 413.477 4.221 10 50 HICA Cc1ccc(N2C(=O)/C(=C\c3c(C)[nH]c4ccc([N+](=O)[O-])cc34)C(O)=NC2=S)cc1 34234539 RKBCYDQRTWTZLM-YVLHZVERSA-N 420.450 4.365 10 50 HICA Cc1cc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c(C)n1-c1ccc2c(c1)OCCO2 111209682 DMMKCFXDQBLCIN-HXUWFJFHSA-N 417.509 4.192 10 50 HICA Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(F)cc1 1133558 AAYOSCSLPKUPEN-CIAFOILYSA-N 407.420 4.465 10 50 HICA COc1ccc(CN2C(=O)/C(=C/c3cc4c(cc3Cl)OCO4)SC2=S)cc1 1146021 QJAPOZUOQPMEEV-IDUWFGFVSA-N 419.911 4.479 10 50 HICA COc1cccc(-c2[nH]c(-c3ccc(N(C)C)cc3)nc2-c2oc(C)cc(=O)c2O)c1 1776111792 QDBQNNLZCGAHRL-UHFFFAOYSA-N 417.465 4.453 10 50 HICA Cc1cc(O)c(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1C(C)C 776778367 MNHGFTDNXNJONL-UHFFFAOYSA-N 400.470 4.017 10 50 HICA COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 1205381 BWHNHGFBNDYJIP-YBEGLDIGSA-N 419.911 4.399 10 50 HICA O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c3c(cccc13)CC2 4471022 AAFZZNKNWZDMEB-ATVHPVEESA-N 418.905 4.423 10 50 HICA O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 2307023 KDPFFLQVSIFHFE-GZTJUZNOSA-N 410.788 4.406 10 50 HICA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1 13893637 LQHDYJHPDBZRGM-XMHGGMMESA-N 415.536 4.374 10 50 HICA O=C(OCCC1(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 754223 LQBWCSOMIIQRNB-UHFFFAOYSA-N 415.401 4.159 10 50 HICA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 1217310 XASVPRUBFRJVMG-IBGZPJMESA-N 414.962 4.146 10 50 HICA O=C1/C(=C\c2cc3c4c(c2)CCCN4CCC3)C(O)=NC(=S)N1C1CCCCC1 13778010 ANUFOJGBRTYYGA-RGEXLXHISA-N 409.555 4.185 10 50 HICA CCN(CC)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 15015241 DQOUEARQFXLKAG-JXAWBTAJSA-N 411.552 4.079 10 50 HICA Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc(C)cc(C)n3)c2)cc1 883467 MCCKVBSAKHMJPR-UHFFFAOYSA-N 401.513 4.059 10 50 HICA O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(O)c1 1186539 YRVZYRDMQRBFQF-YBEGLDIGSA-N 418.927 4.276 10 50 HICA O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O 1196605 WKVHQSALXDBVJW-YPKPFQOOSA-N 406.410 4.434 10 50 HICA COCCn1c(C)cc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)c1C 2316127 AINPFCVIYHJKNA-XDHOZWIPSA-N 411.527 4.040 10 50 HICA COc1ccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1 2874045 BKYHHWKTGOFFBV-QGOAFFKASA-N 401.509 4.032 10 50 HICA CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)o3)C(O)=NC2=S)cc1 8914955 YRTALDARKFGUGI-GHRIWEEISA-N 413.499 4.196 10 50 HICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 15722856 LPNNACRHQDVBSF-ZHZULCJRSA-N 416.408 4.071 10 50 HICA CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)cc1 245311354 NVMAYDQLCQMJDL-DNVJHFABSA-N 414.461 4.006 10 50 HICA COc1cccc(CN(C)CC2CCN(CCc3ccc(Cl)cc3)CC2)c1O 11817863 YSJXSZUFSYXOCG-UHFFFAOYSA-N 402.966 4.441 10 50 HICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(F)cc1 4616548 VPKJHUSKFGNLNI-ZHZULCJRSA-N 416.408 4.071 10 50 HICA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NC1CCCC1 13800771 OBIHGUACRVNNAZ-VBKFSLOCSA-N 408.976 4.380 10 50 HICA Cc1cc(N(CCO)CCO)ccc1/N=N/c1c(Cl)cc([N+](=O)[O-])cc1Cl 4774597 VJCRGIYTUNCUJU-QZQOTICOSA-N 413.261 4.416 10 50 HICA CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 3812975 WZHJKEUHNJHDLS-QTGUNEKASA-N 403.526 4.065 10 50 HICA biogenic,in-man COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 1135573 WEDJPIFTZWILFJ-GRSHGNNSSA-N 415.536 4.422 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 5952057 QEOLLLPXFLTODB-KFWWJZLASA-N 419.543 4.435 10 50 HICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)c3cccc([N+](=O)[O-])c3)ccc12 2853551 PFFXAYYCVKJHAG-UHFFFAOYSA-N 419.389 4.433 10 50 HICA COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)cc1 2629087 MHTFKBIGFJYNTO-UHFFFAOYSA-N 409.711 4.074 10 50 HICA CN(C)c1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1 3129872 GHMFXTWNZXJCKG-UHFFFAOYSA-N 411.461 4.336 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)sc2c1CCCCC2 3619073 OYPJVRNSQJPEPE-HNNXBMFYSA-N 419.543 4.398 10 50 HICA COc1ccccc1C(=O)Nc1cccc(N2CCC(NCc3ccco3)CC2)c1 299771358 WUQKONYAQOENFZ-UHFFFAOYSA-N 405.498 4.299 10 50 HICA Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 1171433 BUOCOYLLPODLCO-XMMPIXPASA-N 413.521 4.358 10 50 HICA COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 16193577 OFWVLKFVVPIRAP-GDNBJRDFSA-N 404.388 4.073 10 50 HICA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1C[C@H]1CCCO1 1220060 UXRUPTHZIWQYIV-ZXMBATIKSA-N 416.480 4.235 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2 3864248 XUTXGMTUPLPAHK-UONOGXRCSA-N 405.516 4.188 10 50 HICA CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 4754711 LQWHBOYPKXABON-AATZCTEQSA-N 402.585 4.377 10 50 HICA CCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 101328229 YEXVZOAGOCDRPP-SAPNQHFASA-N 406.511 4.329 10 50 HICA CCN(CC)c1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 1192789 XDCIPQHYSBUCDA-ZCXUNETKSA-N 409.536 4.261 10 50 HICA COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccccc1Cl 13940706 VOTYEXGSMVJVPC-MHWRWJLKSA-N 419.911 4.399 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCC2 2109068 QNLDFZYJVLUHMZ-CABCVRRESA-N 405.516 4.189 10 50 HICA CN(Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C[C@@H]1CCCN2CCCC[C@H]12 409414831 XSASIJSJOSWKIN-HTAPYJJXSA-N 410.558 4.074 10 50 HICA biogenic CCC1=NN2C(=N)/C(=C/c3cccc(OCc4ccccc4F)c3)C(=O)N=C2S1 4811855 ZJZRODFZUUYSOD-GJXXPDGXSA-N 408.458 4.434 10 50 HICA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(O)c1 1180663 SLKMMOGDMDRUJT-YBEGLDIGSA-N 418.927 4.276 10 50 HICA Cc1ccc(COc2ccc(/C=C3\NC(=S)N(C)C3=O)cc2Br)cc1 2852048 XCZDVCFSVGAWGT-YBEGLDIGSA-N 417.328 4.024 10 50 HICA CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1 4365520 IPAJDLMMTVZVPP-UHFFFAOYSA-N 415.537 4.347 10 50 HICA in-vitro O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 1211055 XLUQBFJVRWLRBT-SFQUDFHCSA-N 408.410 4.236 10 50 HICA Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(N)cc2)cc1 1786856 BXMDKBCYXAMCCM-UHFFFAOYSA-N 405.483 4.065 10 50 HICA O=C(O)CCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1916906 LMPMYUYPPMCFOO-RAXLEYEMSA-N 414.346 4.295 10 50 HICA COC(=O)CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 1091719 VHAGOGQJNRAICK-AQTBWJFISA-N 413.520 4.030 10 50 HICA CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O 1023544 IBHDAJMKZGXGPT-XMHGGMMESA-N 402.475 4.070 10 50 HICA O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 2350784 NNJLZQPPMGXPAJ-QPEQYQDCSA-N 413.398 4.251 10 50 HICA COc1cccc(/C=C2/SC(=S)NC2=O)c1OCCCOc1ccccc1C 2878257 QPHJRCXJEFXSLD-QGOAFFKASA-N 415.536 4.340 10 50 HICA CCn1c2c(c3cc(C(=O)N(C)[C@@H](COC)c4ccccn4)ccc31)CCCC2=O 952985009 ZYWBXBBUELOXMF-NRFANRHFSA-N 405.498 4.035 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2 2486550 YEQKWUNUSLOHAO-KBPBESRZSA-N 405.516 4.189 10 50 HICA COc1ccc(N2CCN(CC(=O)N3c4ccc(C)cc4[C@@H](C)CC3(C)C)CC2)cc1 169681404 GNWDFYWZUKWISM-FQEVSTJZSA-N 421.585 4.445 10 50 HICA O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1cccnc1 6456953 VPOOXJQORIMQSR-WQRHYEAKSA-N 422.491 4.182 10 50 HICA COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O 15769378 URVWHSWBVUMJHG-XYOKQWHBSA-N 424.762 4.034 10 50 HICA COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(F)cc3)C2=O)cc1 15746445 LPOFKSQFPMUSEZ-ATVHPVEESA-N 416.499 4.064 10 50 HICA COC(=O)CC1CCN(Cc2c(O)ccc3occ(C(=O)c4ccsc4)c23)CC1 252499010 RTPIHZJLFFFUDZ-UHFFFAOYSA-N 413.495 4.206 10 50 HICA CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 12558357 CWRIWFGJBTTZSH-WQRHYEAKSA-N 407.271 4.191 10 50 HICA Cc1cccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3cccc4cccnc34)c2C)c1 1875344462 DHNBYUHQROGUDS-UHFFFAOYSA-N 419.506 4.069 10 50 HICA O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2cc(Cl)ccc2O)CC1 12594115 ZXDWZVWVDAQQTK-UHFFFAOYSA-N 424.932 4.260 10 50 HICA O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(O)=NC(=S)N1c1ccc(Cl)cc1 15659355 DGMWWNQJQZIZLD-VLVOFSMPSA-N 413.842 4.476 10 50 HICA Cc1[nH]c2ccc([N+](=O)[O-])cc2c1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 1126313 VJKWWIJZALRJLR-NTEUORMPSA-N 424.413 4.195 10 50 HICA CCOc1cc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)N=C2C)cc([N+](=O)[O-])c1O 16247951 BJENXPCFRYIJJY-MLPAPPSSSA-N 419.796 4.298 10 50 HICA O=C(O)c1ccc(-n2cccc2/C=C2/N=C(O)N(c3cccc(Cl)c3)C2=O)cc1 9090128 IKVPOLNVUFKFCV-LDADJPATSA-N 407.813 4.131 10 50 HICA COc1ccccc1NC(=O)[C@H]1CC12CCN(Cc1cc(Cl)ccc1O)CC2 11788474 YFFANZUYHUMGKU-QGZVFWFLSA-N 400.906 4.295 10 50 HICA Cc1nn(-c2ccccc2)c(O)c1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 95920199 SPMDFJBQFFQJLF-LDADJPATSA-N 407.520 4.288 10 50 HICA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1C 9295773 YSJPDCCBMOTLSD-FMIVXFBMSA-N 421.305 4.142 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@H](C)C2 239119522 ISTWGOJEZSJBAO-AVVLXZEZSA-N 419.543 4.125 10 50 HICA CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)CC1 44854076 SWSRPYZPWXIPCL-NRFANRHFSA-N 421.585 4.246 10 50 HICA Oc1ccc(-c2nc3ccccc3s2)cc1CN1CCN(c2ccccn2)CC1 12191094 VQRPLVYJMNCPJE-UHFFFAOYSA-N 402.523 4.386 10 50 HICA COc1ccccc1/C=C1/C(=N)N2C(SCc3ccccc3)=NSC2=NC1=O 13750208 MECFVHBRLWYGHX-WSYITQDSSA-N 408.508 4.205 10 50 HICA COc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc(OC)c1OC 16195175 BSPOUUHZXYEWSB-ZSOIEALJSA-N 417.255 4.456 10 50 HICA COc1ccc(O)c(CN2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)c1 20363472 JKLKLMHAPDGAQN-SFHVURJKSA-N 424.570 4.201 10 50 HICA Oc1c(CN2CCN(c3ccc(F)cc3)CC2)cc(Br)c2cccnc12 54340977 HDCALMKZGZLBHX-UHFFFAOYSA-N 416.294 4.164 10 50 HICA CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cnn(CC)c3C)c2C)cc1 2325880018 QELDIZSDMUNVTL-UHFFFAOYSA-N 409.486 4.057 10 50 HICA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1 1186993 GLVPBVYUEBLSIF-JXAWBTAJSA-N 402.585 4.289 10 50 HICA Cc1csc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)n1 1835616 QHDNOXMCBCFCDF-JYRVWZFOSA-N 423.972 4.335 10 50 HICA O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-c2ccncc2)o1 1875254268 FIYHEVDOWSIESL-GOSISDBHSA-N 411.889 4.095 10 50 HICA CCN1C(=O)N=C(O)/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O 2315181 VRADQDSIIPLQFW-HMMYKYKNSA-N 417.465 4.432 10 50 HICA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OC(=O)c2cccs2)c1 1161417 RINZLJGIVFCGKP-BOPFTXTBSA-N 424.865 4.082 10 50 HICA O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1ccccc1Cl)c2[N+](=O)[O-] 4580260 IZHDBQSTMNFGAA-UHFFFAOYSA-N 406.781 4.276 10 50 HICA COc1cccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)c1OC(C)=O 9259756 OIDRZYBMQYZQTE-GDNBJRDFSA-N 415.239 4.364 10 50 HICA CCn1c2c(c3cc(C(=O)N(C)[C@H](COC)c4ccccn4)ccc31)CCCC2=O 952985010 ZYWBXBBUELOXMF-OAQYLSRUSA-N 405.498 4.035 10 50 HICA O=C(c1ccco1)N1CCN(Cc2cc(-c3nc4ccccc4s3)ccc2O)CC1 15068140 AQDDJBRVYCPQPD-UHFFFAOYSA-N 419.506 4.220 10 50 HICA CN(C1=NC(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)S1)c1ccc(Cl)cc1 2850661 ZYMKAHAJULLQFV-PFONDFGASA-N 404.278 4.422 10 50 HICA O=C1N=C(O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(F)cc1 1149787 MIRVXSHKHCUQMS-LDADJPATSA-N 420.356 4.031 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(C/C=C/c4ccc(F)cc4)C3)CC2)cc1 20992924 QPKXPUSVYSEANP-UQPVFDRXSA-N 409.549 4.134 10 50 HICA COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccc(Br)cc2)C1=O 334163501 VDRGPSOCYDOOOH-PDGQHHTCSA-N 423.266 4.072 10 50 HICA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OC 1159198 SVCKWPJDJOXGHT-BOPFTXTBSA-N 401.509 4.427 10 50 HICA O=C1/C(=C/c2ccc(I)o2)SC(=S)N1C1CCCCC1 16430323 DFIPSXJPWWCTCV-FLIBITNWSA-N 419.309 4.418 10 50 HICA O=C(O)CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 2390269 MDXPBYIWHGNVSQ-CXUHLZMHSA-N 419.911 4.205 10 50 HICA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccc(OC)cc2O)CC1 11816712 BGOWQKLLNQHRFY-UHFFFAOYSA-N 417.933 4.442 10 50 HICA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 978002 MBNQKXPZUNTJDC-CNYBTUBUSA-N 403.912 4.237 10 50 HICA CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1Cl 981370 DOYAXDBVTLDCCV-OVCLIPMQSA-N 418.877 4.098 10 50 HICA CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(N4CCOCC4)cc3)cc2)CC1 72437594 SJUWNUGMXNMBCD-FQEVSTJZSA-N 407.558 4.251 10 50 HICA O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 408821988 BOMHCUFWKSSARK-RIYZIHGNSA-N 404.856 4.290 10 50 HICA Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1C 15799123 NMYRJJVRJXGWKL-WQRHYEAKSA-N 421.384 4.072 10 50 HICA NC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1 2886932 KFKIMAQIOKUWLC-UHFFFAOYSA-N 413.271 4.023 10 50 HICA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(=O)O)cc3)S2)cc1Cl 2904117 DOUFTCXILZUEPA-PXNMLYILSA-N 402.859 4.194 10 50 HICA COc1cccc(OCCCOc2ccccc2/C=C2/SC(=S)NC2=O)c1 2878410 OWPHLVHZFLNCTB-LDADJPATSA-N 401.509 4.032 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(C(=O)CCC4CCCCC4)C3)CC2)cc1 55197407 WOHZWNYSPZMABW-QHCPKHFHSA-N 413.606 4.169 10 50 HICA COc1ccc(N2CC3(CN(C(=O)c4ccccc4-c4ccccc4F)C3)C2)cc1 2100473173 CUMNPSVHQKSMHW-UHFFFAOYSA-N 402.469 4.464 10 50 HICA CN1CCN(c2ccccc2/C=C2\CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 44124223 VILVQZDPIFCZSB-FBMGVBCBSA-N 415.459 4.278 10 50 HICA COc1cccc(CN(C)Cc2nnc(SCc3ccccc3Cl)n2C)c1O 55358947 XMUYHURZMVCVMH-UHFFFAOYSA-N 418.950 4.107 10 50 HICA NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(-c4ccccc4F)cs3)cc2)C1 814827996 JGWWNULCXIGUNX-MRXNPFEDSA-N 410.518 4.263 10 50 HICA CCN1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)SC1=S 1206181 XXALAFVVYBAJNW-UITAMQMPSA-N 423.151 4.138 10 50 HICA COc1cccc(CNC(=O)CC[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 13659354 GXNZLBHSYDKCJY-QGZVFWFLSA-N 416.949 4.363 10 50 HICA O=C1N=C(O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccccc1 13894244 BWSBYTLCVHSKEV-ATVHPVEESA-N 403.350 4.362 10 50 HICA COc1ccc(O)c(CN2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)c1 20363469 JKLKLMHAPDGAQN-GOSISDBHSA-N 424.570 4.201 10 50 HICA O=C1N=C(N2C=CC(=C3C=CNC=C3)C=C2)C(=CN=NC(=O)c2ccccc2O)S1 1857524793 KNROROZHIHWLFP-UHFFFAOYSA-N 417.450 4.362 10 50 HICA COc1ccccc1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 1103225 PQZWLRLWEQFQNI-CPNJWEJPSA-N 415.536 4.156 10 50 HICA CC1CCN(Cc2c(O)ccc3cc(-c4nc5ccccc5n4C)c(=O)oc23)CC1 1155916 NSYLKTZCZFPERL-UHFFFAOYSA-N 403.482 4.284 10 50 HICA biogenic Cc1cc(C(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)c(C)n1-c1cccc(Cl)c1 1775988758 GKILAURUOMLLKZ-UGKGYDQZSA-N 415.965 4.106 10 50 HICA COc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)SC2=S)cc1 1144301 KBJIKBOYGGTSFU-SXGWCWSVSA-N 421.927 4.464 10 50 HICA CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCOCC2)c1O 19855620 BMMGUQIYTKVFJE-UHFFFAOYSA-N 422.506 4.170 10 50 HICA biogenic Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c1 658334 YNQIMWDSIUPEFL-LDADJPATSA-N 406.438 4.225 10 50 HICA COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 2817724 YZVYFPJQMTVGLS-FRKPEAEDSA-N 422.865 4.096 10 50 HICA CCOC(=O)c1c(CN(CC)CC)n(-c2ccccc2)c2ccc(O)c(CN(C)C)c12 1422611 VFFMWXAUNWCOQC-UHFFFAOYSA-N 423.557 4.416 10 50 HICA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NC1CCCCC1 13785641 LGESLBHQUUIBAI-VBKFSLOCSA-N 408.976 4.380 10 50 HICA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2O)C(=O)N1c1ccccc1Cl 135883878 GZAAGQUPLAXGDE-PCCBWWKXSA-N 420.852 4.097 10 50 HICA COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1 1137215 CSRBRKDRRWZHMO-BOPFTXTBSA-N 413.857 4.234 10 50 HICA COCc1cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC 12200959 FDHJZFNMLYGOOZ-AWEZNQCLSA-N 401.457 4.465 10 50 HICA COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O 16156527 RIRLBQUFEFVYPS-DHDCSXOGSA-N 407.900 4.469 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239222072 UHWAOJPKEFZSKI-WRFANHODSA-N 417.527 4.045 10 50 HICA COc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S 1217451 BRXVDNOQFOUWGL-ATVHPVEESA-N 416.499 4.064 10 50 HICA CCOc1ccc(/C=C2/SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 1180713 GQDPZVYASDZIGT-LTGZKZEYSA-N 407.539 4.186 10 50 HICA COc1ccccc1NC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)ccc1O)CC2 11788473 YFFANZUYHUMGKU-KRWDZBQOSA-N 400.906 4.295 10 50 HICA Cc1cc(/C=C2/C(=O)NC(=S)N(Cc3ccco3)C2=O)c(C)n1C1CCCCC1 16266119 UMFNKEYGEIBIQS-UNOMPAQXSA-N 411.527 4.030 10 50 HICA CCOC(=O)c1c(C)nc2c(c1-c1ccc(OC)c(OC)c1)C(=O)c1ccccc1-2 804234 VPDRDTWQMVGQBF-UHFFFAOYSA-N 403.434 4.462 10 50 HICA COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 832231 JOTUMEYSVRKOJD-UHFFFAOYSA-N 414.486 4.444 10 50 HICA COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Cl)c1O 22078759 WFZJHTXMCUYEAF-XGICHPGQSA-N 421.236 4.212 10 50 HICA O=C(COc1ccccc1)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 2921424 LRBZWXYIDAWDGK-FQEVSTJZSA-N 408.841 4.471 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(Cc4[nH]c5ccccc5c4C)C3)CC2)cc1 20271015 XXUYBAVTKIGQBD-QFIPXVFZSA-N 418.585 4.272 10 50 HICA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/Nc2ccccc2)cc1 100424595 YJAPLLFKEMNADH-RCCKNPSSSA-N 414.421 4.350 10 50 HICA CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccn2)C1=O 5093012 YJVGZIAWZDZICP-MIBLWBGCSA-N 409.536 4.258 10 50 HICA C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(Oc2cccnc2)cc1 808435992 GURHEFFXKZOVRS-FQEVSTJZSA-N 402.542 4.477 10 50 HICA O=C1N=C(O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1 1163847 YHJLTGSNBDQKMH-SFQUDFHCSA-N 417.377 4.357 10 50 HICA CCN1C(=O)/C(=C\c2ccccc2OCCOc2cccc(OC)c2)SC1=S 5091137 KZANLUIWDVEOGN-CPNJWEJPSA-N 415.536 4.374 10 50 HICA O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccco1 1147313 WLPDSCANCTYHMA-LDADJPATSA-N 422.824 4.178 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2 4613980 XUTXGMTUPLPAHK-KGLIPLIRSA-N 405.516 4.188 10 50 HICA Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 4758384 NLQGZVKXLTWART-LGVFNWMJSA-N 424.566 4.151 10 50 HICA COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc([N+](=O)[O-])c1OC(C)=O 2305615 NLCRYHPAFXXSRQ-VGOFMYFVSA-N 415.785 4.163 10 50 HICA CCOc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 5101375 XGOMCFCQVYXSQM-LDADJPATSA-N 412.536 4.234 10 50 HICA CC(/C=C1\Sc2ccccc2N1CCO)=C\c1sc2ccccc2[n+]1CCO 4531736 AJKPVPNBPNCPLH-UHFFFAOYSA-N 411.572 4.030 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(C4C5CC6CC(C5)CC4C6)C3)CC2)cc1 19789650 RWWGYYVFDTXYDF-LNTPEENLSA-N 409.618 4.106 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)O)c2C(=O)OC)C1 17091902 MQOFZXYEVFMXSR-OQMSMLFNSA-N 419.543 4.125 10 50 HICA CN(C)c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 4620875 DEKLNEGIJOLXJP-OTLVRQKTSA-N 409.902 4.073 10 50 HICA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc(Cl)ccc1O 1798918 XNTFLBNEFKZANV-NTEUORMPSA-N 424.956 4.337 10 50 HICA COc1ccc(N2CCN(CC(=O)N3c4ccc(C)cc4[C@H](C)CC3(C)C)CC2)cc1 169681405 GNWDFYWZUKWISM-HXUWFJFHSA-N 421.585 4.445 10 50 HICA COc1cccc(/C=C2\SC(Nc3ccc(Cl)c(C(=O)O)c3)=NC2=O)c1OC 16193561 OFQQVLSATQNDNP-NVNXTCNLSA-N 418.858 4.138 10 50 HICA CCN1C(=O)/C(=C\c2ccc(OCCOc3cccc(OC)c3)cc2)SC1=S 5111966 IZPHTBLCEBLVMU-CPNJWEJPSA-N 415.536 4.374 10 50 HICA COc1ccccc1C(=O)Nc1cccc(N2CCC(NCc3cccnc3)CC2)c1 11791280 IBMGOSSQQBTZNF-UHFFFAOYSA-N 416.525 4.101 10 50 HICA CC[C@H](C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S 4846208 PXZUTVXRTQBYKI-SJWFJVLYSA-N 415.946 4.173 10 50 HICA COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c1O 16266023 NSJMDXPGECLQOW-VGOFMYFVSA-N 422.871 4.368 10 50 HICA COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)cc1OC 13304505 JKHFLVGMDPPYPQ-SXGWCWSVSA-N 401.260 4.272 10 50 HICA CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)sc2c1CCC2 100604754 BEWQELAAOPSETJ-SFQUDFHCSA-N 409.511 4.440 10 50 HICA COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(OC)ccc1OC 2812926 POQDXXAVVDMNFQ-VBKFSLOCSA-N 413.857 4.234 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 5952059 QEOLLLPXFLTODB-RBSFLKMASA-N 419.543 4.435 10 50 HICA O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccc2O)CC1 12835941 DNCFRCGVCLWQHW-UHFFFAOYSA-N 418.541 4.387 10 50 HICA N=C1/C(=C/c2ccccc2C(F)(F)F)C(=O)N=C2SC(c3ccccc3)=NN12 22228876 MLROZPMRJQFEIB-XVKZYXQSSA-N 400.385 4.373 10 50 HICA Cc1c([C@@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1cccc(F)c1 11821207 UOLDXCKRPKJRAE-MRXNPFEDSA-N 422.504 4.368 10 50 HICA C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 2520462 XHFYPQOHZOWMFW-IGWPVBGESA-N 403.525 4.240 10 50 HICA COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)cc1 1191099 JPUNRINREINELM-PXLXIMEGSA-N 412.445 4.322 10 50 HICA Cc1cccc(OCC2=NN3C(=N)/C(=C\c4c[nH]c5ccccc45)C(=O)N=C3S2)c1 20235394 UJGCQYCTMIJCON-ZZYMSUEGSA-N 415.478 4.174 10 50 HICA CN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S 1159239 RMHIFJYJTKHEKS-ZDLGFXPLSA-N 409.492 4.429 10 50 HICA Cc1cc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1Cl 5093627 XFMCFUVTESZXHP-UHFFFAOYSA-N 405.837 4.441 10 50 HICA COC(=O)c1ccoc1COc1cccc2c1N(C(=O)/C=C/c1cncs1)CCC2 1875264680 WCWZRZFSCZSGSK-BQYQJAHWSA-N 424.478 4.094 10 50 HICA CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1C(C)C 1150568 GNTQYFJJGSXKJW-XDHOZWIPSA-N 410.445 4.323 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCC2 2109063 QNLDFZYJVLUHMZ-LSDHHAIUSA-N 405.516 4.189 10 50 HICA CCOc1cccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1O 4477837 HBCWYJUKKDNMRB-GDNBJRDFSA-N 402.453 4.105 10 50 HICA Cc1cc(C(=O)N2CCC([C@@H]3C[C@H](N)CCO3)CC2)c(C)n1-c1cccc(Cl)c1 1775988756 GKILAURUOMLLKZ-KNQAVFIVSA-N 415.965 4.106 10 50 HICA COc1cccc(OCCn2cc(/C=C3/SC(=S)NC3=O)c3ccccc32)c1 1190705 AULPYAXPKVOBFL-YBFXNURJSA-N 410.520 4.218 10 50 HICA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccccc1Cl 15800462 RRDRYTZKRYSFNM-BOPFTXTBSA-N 421.927 4.295 10 50 HICA N=C1/C(=C/c2ccc(OC(=O)c3cccs3)c(Cl)c2)C(=O)N=C2SC=CN12 16247778 ZTXQSTDOHIWZCY-GDGARQCUSA-N 415.883 4.398 10 50 HICA COc1ccc(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)cc1 16662792 QOZSGFOAEQYBJQ-UHFFFAOYSA-N 419.308 4.431 10 50 HICA COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c(OC)c1OC 1159372 IPSGBYGTPUGCHF-WJDWOHSUSA-N 401.509 4.427 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCCCC2 101714306 INVWZBUELNTXFW-CLROSIBMSA-N 417.527 4.045 10 50 HICA N=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SN=C(SCc3ccccc3)N12 9353063 DBEFVAHEUXSDMD-YERBQUFUSA-N 423.479 4.105 10 50 HICA Cc1cc(C(=O)N2CCC([C@H]3C[C@@H](N)CCO3)CC2)c(C)n1-c1cccc(Cl)c1 1775988757 GKILAURUOMLLKZ-SIKLNZKXSA-N 415.965 4.106 10 50 HICA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1 1147700 SMBFPXUQQMPNOG-RCCKNPSSSA-N 414.486 4.097 10 50 HICA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C[C@H]1CCCO1 13590959 IBUSPESPUDCXKV-ZXMBATIKSA-N 416.480 4.235 10 50 HICA O=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1Cl 1130288 OBNGUFWPVSZCQL-AQTBWJFISA-N 400.887 4.418 10 50 HICA COc1cccc(-c2ccc(O)c(CN(C)Cc3nnc(-c4ccccc4)o3)c2)n1 12027959 DTFGKVMCKHMSCW-UHFFFAOYSA-N 402.454 4.145 10 50 HICA CCCCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 16115397 JDWNCLSUQNLNCV-PWDRBQJJSA-N 407.557 4.254 10 50 HICA COc1ccc(/C=C/C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 4628619 HPZLMNOGHDYLKZ-ACCUITESSA-N 413.429 4.131 10 50 HICA COc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(OC)c3O)SC2=S)cc1 4949447 ZSSGRKPZBLXMJV-OVCLIPMQSA-N 407.900 4.469 10 50 HICA Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@H]3C2=O)c(C)c1 245324881 BLQLYXPJSHXHPC-DNVJHFABSA-N 414.461 4.060 10 50 HICA O=S(=O)(Nc1cccc(N2CCC(NC3CCCC3)CC2)c1)c1ccc(F)cc1 299801957 ZHUFBSQZNDWMHS-UHFFFAOYSA-N 417.550 4.128 10 50 HICA O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1[N+](=O)[O-] 4110598 ICGNRFIGLNACTQ-UHFFFAOYSA-N 423.410 4.031 10 50 HICA CC(C)CC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1 32654844 TUTRXNKNISTENL-HUHIGAQKSA-N 422.466 4.310 10 50 HICA Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCCCC4)o3)C(=O)NC2=S)c1 1162120 XEEDAYRAAFLNRF-XMHGGMMESA-N 423.538 4.108 10 50 HICA Cc1ccc(C2=NC(=O)/C(=C3\C(=O)N(C)c4ccc(Br)cc43)S2)cc1 1191047 NLIAMDVYDMIRQZ-FOCLMDBBSA-N 413.296 4.165 10 50 HICA O=C1N=C(O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 15723190 CZJJBVGQESLMSI-VBKFSLOCSA-N 403.350 4.362 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2 17091914 QEOLLLPXFLTODB-ZNMIVQPWSA-N 419.543 4.435 10 50 HICA CCOc1cc(Br)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c1O 15011089 WLESDZPNXLAFBD-MLPAPPSSSA-N 416.362 4.411 10 50 HICA O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1C[C@@H]1CCCO1 1220062 UXRUPTHZIWQYIV-ADFUCPMPSA-N 416.480 4.235 10 50 HICA COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)c(C)c3)CC2)cc1 6613142 LUUSLPMCCVZUCY-UHFFFAOYSA-N 402.922 4.163 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 35898125 PYDNKZZUYLKQJX-LYRGGWFBSA-N 419.543 4.435 10 50 HICA COc1cc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)cc([N+](=O)[O-])c1O 15723051 PCZZIVBLFDYJNW-NVNXTCNLSA-N 419.846 4.353 10 50 HICA O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(C/C=C/c2ccccc2)CC1 4182358 HPWGVFPVPZFWBA-JXMROGBWSA-N 408.501 4.297 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCC2 17091904 FKYYYXZWVWYSCY-YCUKKYJWSA-N 419.543 4.269 10 50 HICA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(C)nn(-c2cccc(Cl)c2)c1O 13370500 RQIVJGXUVUNLEA-WQRHYEAKSA-N 410.836 4.485 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CCC4CCCCC4)C3)CC2)cc1 55197402 WOHZWNYSPZMABW-HSZRJFAPSA-N 413.606 4.169 10 50 HICA Nc1c(C(=O)c2ccccc2)cc(Br)c2c1C(=O)c1ccccc1C2=O 3878831 VJFLKWCQBYAZJM-UHFFFAOYSA-N 406.235 4.038 10 50 HICA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 4990223 SJUOTJYVZTYREQ-UHFFFAOYSA-N 406.235 4.477 10 50 HICA Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 16248047 QBPWECYMCYTQIH-WJDWOHSUSA-N 423.812 4.278 10 50 HICA COc1ccccc1NC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2837502 PKYSOEKQGKEZFQ-XLNRJJMWSA-N 415.493 4.171 10 50 HICA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCN(c2ccccc2F)CC1 64093388 JASRSMRFUCXAQJ-UHFFFAOYSA-N 406.457 4.249 10 50 HICA O=c1c(-c2ccc(Cl)cc2Cl)coc2c(CN3CCOCC3)c(O)ccc12 19787177 PEWQHHKBCQUOCS-UHFFFAOYSA-N 406.265 4.305 10 50 HICA CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)C1=O 1154759 FBUHBJAAGUXCCN-XDHOZWIPSA-N 412.511 4.256 10 50 HICA O=C1c2ccccc2C(=O)c2cc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)ccc21 9141532 BEXUEHQLTIPEPI-UHFFFAOYSA-N 417.289 4.410 10 50 HICA COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CC2 20515466 SODDJWMBFIJEFX-FQEVSTJZSA-N 416.949 4.086 10 50 HICA COc1cccc(/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)c1 100867200 BKNNSAQLLGFDDX-GZTJUZNOSA-N 418.234 4.106 10 50 HICA CCN1C(=O)/C(=C/c2cccc(OCCOc3ccc(OC)cc3)c2)SC1=S 2977726 RXKNFIQRNVRZAR-RGEXLXHISA-N 415.536 4.374 10 50 HICA CC[C@H](C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 4650894 MHYQCSCLIFEYPT-IHRRRGAJSA-N 405.516 4.188 10 50 HICA Cc1c(CCNC2CCN(C(=O)c3ccccc3)CC2)c2cccc3c2n1CCC3 828177841 SSHAPOISPXEULK-UHFFFAOYSA-N 401.554 4.333 10 50 HICA COc1ccc(CN[C@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cccn1 11874531 PHKRWJYRKKODHT-GOSISDBHSA-N 401.514 4.285 10 50 HICA CCOc1cccc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1O 12570716 WKVJYMQPCQUPTN-SFHVURJKSA-N 414.521 4.239 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCC2 239309536 HQVUWDSYASJVFR-MGBSGCIJSA-N 417.527 4.044 10 50 HICA CC[C@H](C1=NN2C(=N)/C(=C\c3ccc4c(c3)OCO4)C(=O)N=C2S1)c1ccccc1 16267204 VEDKINURFJYOKL-OUFZWYCHSA-N 418.478 4.228 10 50 HICA CCn1cc(/C=C2\C(=O)N(c3ccccc3OC)C(=S)N=C2O)c2ccccc21 33314242 MEZRQZVJBJMURX-VBKFSLOCSA-N 405.479 4.341 10 50 HICA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1c[nH]nc1-c1ccccc1 13282601 OMYVHMCCTVKDAO-SXGWCWSVSA-N 406.829 4.234 10 50 HICA O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccccc2Br)C1=O 2286922 GXDLBDVKSQECOD-YPKPFQOOSA-N 417.309 4.177 10 50 HICA COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O 9310305 ILWBFDDIZXMXOI-RIYZIHGNSA-N 422.871 4.368 10 50 HICA COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(OC)cc2O)C3)cc1 55182616 ATQNAFOIDVQMMB-UHFFFAOYSA-N 421.493 4.480 10 50 HICA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2cccs2)c(Cl)c1 1117549 OYDMWNCUIDPONE-RVDMUPIBSA-N 424.865 4.082 10 50 HICA CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)OC(C)(C(C)(C)C)OC3=O)o2)cc1 1185416 NMMKIDWMLRPIKN-UHFFFAOYSA-N 412.438 4.369 10 50 HICA CCc1ccc(OCc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 2756178 ALKBAANUIHPDHZ-UHFFFAOYSA-N 420.509 4.392 10 50 HICA COc1ccc(Nc2nc(C(=O)N3CCc4ccc(N(C)C)cc4C3)cs2)cc1 2325729638 CHQUEVZRGNKTIB-UHFFFAOYSA-N 408.527 4.160 10 50 HICA COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1Cl 1135911 HUQMPRLKCRUENW-APSNUPSMSA-N 405.884 4.483 10 50 HICA Oc1ccc(Br)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 4980669 MWZAEYNARAMNKQ-UHFFFAOYSA-N 415.253 4.496 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 5951523 VLJRHBZZJIXPBY-KBPBESRZSA-N 405.516 4.189 10 50 HICA CCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4C(=O)OC)o3)C(=O)N=C2S1 1249221 PXVGFYWOLHSGGD-AXPJIBDUSA-N 422.466 4.152 10 50 HICA COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 17091908 AFQXKQJEHYHJAO-BFHYXJOUSA-N 419.543 4.291 10 50 HICA COc1ccc(CN2C(=O)/C(=C3/C(=O)Nc4ccc(Cl)cc43)SC2=S)cc1 2295337 VMIOEIMXGZHFTO-NXVVXOECSA-N 416.911 4.072 10 50 HICA COc1ccc(NC(=O)CC2(c3ccc(OC)cc3)C(=O)c3ccccc3C2=O)cc1 2278199 VUHYWPYAJOHBCN-UHFFFAOYSA-N 415.445 4.050 10 50 HICA CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)c1 1184042 DBPGPVGGBOATJV-CPNJWEJPSA-N 420.396 4.151 10 50 HICA CCN(CC)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc1 3953487 VLXYVINKLHWEEB-OBGWFSINSA-N 420.600 4.467 10 50 HICA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2 239159621 MMDQSYAXRCIIGA-MGBSGCIJSA-N 417.527 4.045 10 50 HICA CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)CC1 4545582 ZQUUUIWNRFTDBO-NBVRZTHBSA-N 400.544 4.230 10 50 HICA Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 1062552 NLQGZVKXLTWART-ZFGGDYGUSA-N 424.566 4.151 10 50 HICA COc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 2305090 MCQMYEDGUFFKRU-AQTBWJFISA-N 412.536 4.234 10 50 HICA CCN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672180 GYBQWTYCOKFKCD-MSUUIHNZSA-N 414.939 4.478 10 50 HICA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 1196289 DQVGMGVBEPNZSR-NVNXTCNLSA-N 403.265 4.261 10 50 HICA COc1ccc(N2CCN(C(=S)N[C@H](C)C34CC5CC(CC(C5)C3)C4)CC2)cc1 4687492 QCZBETCYIVEVIA-OQOKOFKUSA-N 413.631 4.297 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)O)c2C(=O)OC)C1 239377509 OBBGYUYRMPRQTL-VNQPRFMTSA-N 419.543 4.435 10 50 HICA COc1ccc(/C=C2/SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 1180645 DGBXPSLBMZMSBB-CPNJWEJPSA-N 413.930 4.141 10 50 HICA Cc1ccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccc([N+](=O)[O-])cc34)C(O)=NC2=S)cc1 1146345 RKBCYDQRTWTZLM-LICLKQGHSA-N 420.450 4.365 10 50 HICA COC(=O)c1ccc(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)cc1 15746438 RTEFXSMTNVCBBS-GDNBJRDFSA-N 417.284 4.318 10 50 HICA CCCOc1ccccc1/C=C1/SC(N2CCN(Cc3ccccc3)CC2)=NC1=O 20029457 PMRWLEPVVASYQO-OQKWZONESA-N 421.566 4.264 10 50 HICA O=c1c(-c2ccccc2)c(C(F)(F)F)oc2c(CN3CCOCC3)c(O)ccc12 19791519 SSADFDOKFCDYQG-UHFFFAOYSA-N 405.372 4.017 10 50 HICA biogenic CN1C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)N(C)C1=O 1151024 OSNTYKCQPBMJLU-UHFFFAOYSA-N 419.264 4.006 10 50 HICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(F)cc2)c1 15722603 SVBGACKXTVGSIO-STZFKDTASA-N 416.408 4.071 10 50 HICA COc1cc(C=C2SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O 1857666841 RIRLBQUFEFVYPS-UHFFFAOYSA-N 407.900 4.469 10 50 HICA Cc1ccc(C)c(N2C[C@](O)(c3ccc(Br)cc3)[N+]3=C2SCCC3)c1 13809739 QTYGFPCZEAKECN-FQEVSTJZSA-N 418.380 4.237 10 50 HICA Cc1[nH]c2ccc([N+](=O)[O-])cc2c1/C=C1\C(=O)N(c2ccccc2F)C(=S)N=C1O 38167121 VJKWWIJZALRJLR-ZROIWOOFSA-N 424.413 4.195 10 50 HICA CC(/C=C1\SC(=S)N(CCC(=O)Nc2cc(C)on2)C1=O)=C\c1ccccc1 1185228 AZIQAVKAMBNWCP-VKDWSQHSSA-N 413.524 4.159 10 50 HICA CC[C@H](C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCC2 4650891 MHYQCSCLIFEYPT-MJBXVCDLSA-N 405.516 4.188 10 50 HICA CN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2672176 KKBBZEQSCHYNIJ-NXVVXOECSA-N 400.912 4.088 10 50 HICA COc1cccc(CN2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)c1O 20780827 XRDUOVACHRGKHS-IBGZPJMESA-N 424.570 4.201 10 50 HICA COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 8764041 HDCNKWLTFRHVMP-FOWTUZBSSA-N 418.565 4.377 10 50 HICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)OCc3ccccc3)ccc12 1183693 ALOYFFFUJANEBT-UHFFFAOYSA-N 404.418 4.385 10 50 HICA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)cc3)C2=O)cc1 16770020 NCLUGTZYIPEYLQ-AQTBWJFISA-N 412.536 4.185 10 50 HICA COc1ccc(CN[C@@H]2CCCN(Cc3ccccc3F)C2)cc1CN1CCCC1 952967501 BOTMFWNVONBCIN-HSZRJFAPSA-N 411.565 4.184 10 50 HICA COc1ccc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)c([N+](=O)[O-])c1 1185535 HVCBLHOLOIPDQP-UHFFFAOYSA-N 421.361 4.046 10 50 HICA Cc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c(C)n1-c1ccc(C(=O)O)cc1 4663496 LXPNTIVUYVRIEJ-UHFFFAOYSA-N 411.454 4.038 10 50 HICA CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 12380141 ADIPNHVGSIWTIJ-LFIBNONCSA-N 416.549 4.181 10 50 HICA O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1O 2505611 JYMPQFLSLFTILZ-OAQYLSRUSA-N 403.434 4.447 10 50 HICA COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4cccc(CO)c4)C3=O)n2)cc1 100505245 MOIFBAFVTBQNST-FYTMPNSFSA-N 421.482 4.186 10 50 HICA CC(C)c1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=CSC4=NC3=O)cc2)cc1 4673685 FTBXYYXQVHKCSI-ODXNEQJUSA-N 418.478 4.278 10 50 HICA COC(=O)COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1 15011103 UMHVDWKHBIGDLR-ATVHPVEESA-N 405.541 4.020 10 50 HICA CCOc1cccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)c1O 12431553 YSRIMMJKDIPPNO-LJQANCHMSA-N 420.513 4.032 10 50 HICA CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nccs3)C2=O)cc1 13800635 WOVHXVJFQLSWNF-ZROIWOOFSA-N 403.554 4.106 10 50 HICA CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 13562481 YFMKQZOATVNYPB-STZFKDTASA-N 419.477 4.357 10 50 HICA Cc1cc(C)nc(NN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)n1 1201759 FHAXRVPSEMIZPT-JYRVWZFOSA-N 421.345 4.084 10 50 HICA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2c(O)cccc2OC)CC1 77405950 DLLAZAXLLFHHOX-UHFFFAOYSA-N 417.933 4.442 10 50 HICA O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)c1ccco1 1136409 IHXDLUPYEOWWSB-BOPFTXTBSA-N 411.460 4.493 10 50 HICA COc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)cc1Cl 2835082 SZJNRYLVPAZGMM-NVNXTCNLSA-N 405.884 4.453 10 50 HICA COc1cccc(O)c1CN1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1 12590879 KOCLSXVAYWZCLS-UHFFFAOYSA-N 416.949 4.363 10 50 HICA COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3cc(C)ccc32)S1 3880303 ZHSACTUCBYWYBC-UHFFFAOYSA-N 421.565 4.275 10 50 HICA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\NC2CCCCC2)cc1 4756208 SVTXZXKXNAIFDX-QNGOZBTKSA-N 420.469 4.161 10 50 HICA O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(O)=NC(=S)N1C1CCCCC1 16213664 BJKQAARUIOUAPX-QGOAFFKASA-N 424.482 4.185 10 50 HICA COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1013805 NYAKNTBPJMXYFN-ATVHPVEESA-N 416.499 4.064 10 50 HICA O=C1N=C(Nc2ccc(Br)cc2)S/C1=C\c1ccc2c(c1)OCO2 5551738 QNEPJGMJYVDPLI-NVNXTCNLSA-N 403.257 4.260 10 50 HICA CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 1184282 MNOVNTRKIMFAAT-ZRDIBKRKSA-N 421.305 4.223 10 50 HICA CC[C@@H](C1=NN2C(=N)/C(=C\c3ccc(C(=O)O)cc3)C(=O)N=C2S1)c1ccccc1 9659501 VBHHLJDZVFUWQQ-VMCIIAFISA-N 418.478 4.198 10 50 HICA CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1 1135450 SJYJDCVOZZCPNC-LICLKQGHSA-N 417.483 4.173 10 50 HICA CCCOc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC 2911470 CATIEXITOZKEBY-NTEUORMPSA-N 421.280 4.252 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(C/C(C)=C/c4ccccc4)C3)CC2)cc1 20534938 IAHZTKBLAFXQHL-OYDDMCODSA-N 405.586 4.385 10 50 HICA COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccc(OC)cc2O)C3)c1 64157909 CYJBRLQTNSYXKU-UHFFFAOYSA-N 421.493 4.480 10 50 HICA Cc1cc(Br)c(O)c(CN[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 170619379 DXJKXQCMBSJVBH-HNNXBMFYSA-N 406.246 4.207 10 50 HICA CC(C)OC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](c1ccccc1)C2 5727293 ZSVITABDDKPSCV-OAHLLOKOSA-N 415.511 4.389 10 50 HICA CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1c(C)n(C)n(-c2ccccc2)c1=O 100363734 RMIXSMLIBFMJKT-XMHGGMMESA-N 403.511 4.004 10 50 HICA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 1217311 XASVPRUBFRJVMG-LJQANCHMSA-N 414.962 4.146 10 50 HICA CCOc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)cc1CO 12090245 LEWKJIBUJYNJGY-AWEZNQCLSA-N 401.457 4.201 10 50 HICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3C[C@@H](C)C[C@H](C)C3)ccc12 1130688 WSXCDHZVCHLOTO-GJZGRUSLSA-N 409.482 4.147 10 50 HICA Cc1cc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3N)CC2)c(C)n1-c1ccc(Cl)cc1 1775988845 LUUAUGVMLZVBGM-VXKWHMMOSA-N 415.965 4.106 10 50 HICA O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 680532 OPNOKMCPQWTTTB-MOSHPQCFSA-N 406.388 4.005 10 50 HICA O=C1N=C(Nc2ccc(Br)cc2)S/C1=C\c1ccccc1[N+](=O)[O-] 1217482 NLEKBARKXZRGGQ-ZROIWOOFSA-N 404.245 4.440 10 50 HICA COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCc1ccc(Cl)cc1 1011791 KIXZGMPHAKIXFY-UHFFFAOYSA-N 402.830 4.147 10 50 HICA CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)cc1 1176574 QTWOACZPZSJZJI-CPNJWEJPSA-N 404.397 4.315 10 50 HICA COc1ccccc1OCCCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 15857255 VZYYVHZJAGUMAG-XMHGGMMESA-N 415.536 4.374 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2 239306084 GJQWCOQFTRRDFP-NTLKJNNPSA-N 419.543 4.125 10 50 HICA CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1[N+](=O)[O-] 15799420 VHSCHPVETIKPFJ-UHFFFAOYSA-N 416.389 4.021 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCC2 2109065 QNLDFZYJVLUHMZ-HUUCEWRRSA-N 405.516 4.189 10 50 HICA OCC[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCN1CCCc1ccccc1 22926274 GXKYNLBUVYGSGA-HSZRJFAPSA-N 404.554 4.047 10 50 HICA O=c1cc2oc3cc(O)c(O)cc3c(-c3ccc(O)c(Br)c3)c-2cc1O 32669136 AQSDNXSAGQVTRZ-UHFFFAOYSA-N 415.195 4.150 10 50 HICA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1235674 XBRLNZRYWJYNAP-DFSFMLJYSA-N 403.912 4.237 10 50 HICA CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 1155348 NWKDCNLOPAGMPT-SEJMYLSOSA-N 416.836 4.323 10 50 HICA COc1ccc(N2CCN(C(=O)CSCc3c(F)cccc3Cl)CC2)cc1 2877014 ILJLLRUXYPMELV-UHFFFAOYSA-N 408.926 4.070 10 50 HICA COc1cccc(-n2c(SC)nnc2C2CCN(Cc3ccccc3O)CC2)c1 12024652 CIZFUAZDXQULMZ-UHFFFAOYSA-N 410.543 4.083 10 50 HICA Cc1ccc2c(c1)/C(=C1/SC(=S)N(Cc3ccc(Cl)cc3)C1=O)C(=O)N2 1174808 NBJAVKBYAQUAMR-NXVVXOECSA-N 400.912 4.372 10 50 HICA COc1ccc(N2CCN(C(=O)c3ccccc3-c3ccccc3C(=O)O)CC2)cc1 6659423 PRDWSHHNCKLRHP-UHFFFAOYSA-N 416.477 4.023 10 50 HICA COc1ccc(-c2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)cc1OC 939992 RHCMKAFISRPRJH-UHFFFAOYSA-N 423.387 4.263 10 50 HICA biogenic CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1 1225682 PYBVXSAFXAMIKE-OQLLNIDSSA-N 405.237 4.059 10 50 HICA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1ccccc1C 4755130 OHLPTYIAZLAGIH-CPNJWEJPSA-N 415.536 4.340 10 50 HICA O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(F)c(Cl)c1 1191824 SVVNXLYQBSRXDD-OVCLIPMQSA-N 406.891 4.319 10 50 HICA O=C1N=C(O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1Cl 16182821 KIQHFPAWMHIIRM-BJMVGYQFSA-N 422.180 4.114 10 50 HICA COc1ccc(OC)c(-c2ccc(O)c(CN3CCN(c4ccccc4)CC3)c2)c1 55154940 YMZVMQYBEMFHOX-UHFFFAOYSA-N 404.510 4.399 10 50 HICA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCN(c4ccccc4)CC3)c12 252494203 NOGCLDTXQYNZLY-UHFFFAOYSA-N 402.450 4.285 10 50 HICA biogenic CC(=O)N1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 992642 JROBFTCAWXENNQ-NXVVXOECSA-N 414.895 4.009 10 50 HICA CC[C@@H](C1=NN2C(=N)/C(=C\c3ccc4c(c3)OCO4)C(=O)N=C2S1)c1ccccc1 3890334 VEDKINURFJYOKL-LEBHYCKOSA-N 418.478 4.228 10 50 HICA Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1cccnc1 12445309 ABPKAULRVBQTGX-GRSHGNNSSA-N 406.536 4.286 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(C/C(C)=C/c4ccccc4)C3)CC2)cc1 20534940 IAHZTKBLAFXQHL-MATVXJHQSA-N 405.586 4.385 10 50 HICA CCCCC(=O)N[C@@H](c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 2997618 TZCXJFSOVKTVNT-FQEVSTJZSA-N 409.442 4.253 10 50 HICA CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 1199047 VIGWOLLMICYCQK-MDWZMJQESA-N 405.237 4.059 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc(SC)c4)C3)CC2)cc1 19229436 VIISTGQPLNJIDS-JOCHJYFZSA-N 411.615 4.204 10 50 HICA CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(Cc2cccc(OC)c2O)C1 11662150 IVMZQFMGAPFRSX-HSZRJFAPSA-N 419.468 4.067 10 50 HICA Cc1c(N2C(=O)/C(=C\[C@@H]3CC=CCC3)SC2=S)c(=O)n(-c2ccccc2)n1C 4832290 MKIGVKWUTCNDLG-OVGFGYAMSA-N 411.552 4.089 10 50 HICA Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@H]2NC(=O)c1cnns1 170641977 QWVUEIGGEFSEFT-OAHLLOKOSA-N 406.433 4.463 10 50 HICA CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 4818890 BBJHZBWDTZRCAK-YBFXNURJSA-N 412.511 4.310 10 50 HICA Cc1cnc(C)c(-c2ccc(O)c(CN(C)Cc3nnc(-c4ccccc4)o3)c2)n1 14989976 RZOTZDSNFNCZIO-UHFFFAOYSA-N 401.470 4.148 10 50 HICA CCN(Cc1cc(OC)ccc1O)C[C@H]1CCCN(CCc2cccc(F)c2)C1 55090042 BUFVIFVPLNFVLS-HXUWFJFHSA-N 400.538 4.317 10 50 HICA COc1ccccc1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 1103226 PQZWLRLWEQFQNI-UYRXBGFRSA-N 415.536 4.156 10 50 HICA O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1 16676185 PNIUADITKIMPKT-KPKJPENVSA-N 411.697 4.478 10 50 HICA Cc1ccc(CNC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc1 1145644 UENWTVROAONRLE-ULJHMMPZSA-N 413.521 4.148 10 50 HICA CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(Cc2cccc(OC)c2O)C1 11662149 IVMZQFMGAPFRSX-QHCPKHFHSA-N 419.468 4.067 10 50 HICA CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 22239146 RUTIPDFXMDYVQW-APSNUPSMSA-N 421.305 4.223 10 50 HICA Cc1ccc2[nH]c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)cc2c1 20282308 IJDCCBHLWJDCHW-ZDLGFXPLSA-N 410.495 4.377 10 50 HICA O=C(O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N=C3O)o2)cc1 13810533 KQAPQIJWYLDIHY-SFQUDFHCSA-N 418.430 4.316 10 50 HICA COc1ccc2c(c1)N(C)/C(=C1\SC(=S)N(Cc3ccccc3)C1=O)S2 973047 QOFAJBGAXXJXLN-FBMGVBCBSA-N 400.550 4.467 10 50 HICA COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O 2830563 USWNLAVTSKNYBL-LDADJPATSA-N 420.852 4.164 10 50 HICA CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CNC1=NCCC1=S 3204934 BDBFHOMBQNJRJS-XMMPIXPASA-N 405.567 4.270 10 50 HICA CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 9304471 PYMSNOCMPJQTAQ-FOWTUZBSSA-N 418.565 4.377 10 50 HICA CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Cl 2958252 QUZCDTRMAZRGHD-XNTDXEJSSA-N 414.914 4.187 10 50 HICA Cc1cc(C)n(-c2ccc(CC(=O)NCc3ccc(N4CCCCC4)cc3)cc2)n1 742475401 LLJYQPVHHDJAJM-UHFFFAOYSA-N 402.542 4.338 10 50 HICA COc1ccc(CNc2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)c(O)c1 795285904 VLCLMIJPUONITF-UHFFFAOYSA-N 419.510 4.353 10 50 HICA COc1ccc2ccccc2c1/C=C1\C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O 16975889 VZZRGJYMJURBGG-UNOMPAQXSA-N 404.397 4.490 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(C/C=C/c4ccc(F)cc4)C3)CC2)cc1 20992920 QPKXPUSVYSEANP-JWZSXRADSA-N 409.549 4.134 10 50 HICA COc1ccc(/C=C2/SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1 13534858 WLRWEJYZGQKAMZ-XMHGGMMESA-N 413.930 4.141 10 50 HICA Cc1csc(NC(=O)CN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)n1 1213341 DRTAIJGTKDJXQP-NVNXTCNLSA-N 417.581 4.415 10 50 HICA CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccc(OC)cc2)SC1=S 2978064 GUEVRJLYJLVRCU-RGEXLXHISA-N 415.536 4.374 10 50 HICA Cc1csc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)n1 8914134 HVWJEAWEQGBVLH-XYOKQWHBSA-N 409.583 4.133 10 50 HICA O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)cc1 1184166 UYFRFILOIGBPKK-DHZHZOJOSA-N 411.697 4.478 10 50 HICA CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C 1125571 YIBAEHKHSMKOCQ-UKTHLTGXSA-N 422.337 4.263 10 50 HICA CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 6162629 ZAWDACSFXAODLW-MHWRWJLKSA-N 414.464 4.177 10 50 HICA O=C1N=C(O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1 15769534 NYPQZGIVHRUPAX-LDADJPATSA-N 417.377 4.357 10 50 HICA COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 1146501 MRKOKDWNNVZKMC-UDWIEESQSA-N 420.490 4.457 10 50 HICA Cc1ccc(COc2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)cc2)cc1 1476380 SKFNVKLXUPXCEI-LDADJPATSA-N 413.520 4.250 10 50 HICA COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NCc2cccc(OC)c2O)cc1 12713395 GTABYCWLASNSOK-FQEVSTJZSA-N 407.514 4.398 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)sc2c1CCCC2 1161519 CFNROUXGDAOCPY-AWEZNQCLSA-N 405.516 4.008 10 50 HICA biogenic COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1O 16677410 XIOSYXNYWQTEHJ-MKMNVTDBSA-N 422.871 4.368 10 50 HICA N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 4949502 JBDLHADBDUSJIF-SEEYEMCASA-N 406.511 4.228 10 50 HICA O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 6133303 MBNQKXPZUNTJDC-KFXIKWRMSA-N 403.912 4.237 10 50 HICA COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 15011434 PVXVYUCGACTAGE-VGOFMYFVSA-N 422.871 4.368 10 50 HICA COCc1cc(=O)c(O)c(-c2nc(-c3ccc(N(C)C)cc3)[nH]c2-c2ccccc2)o1 1857526318 ZXIQKMCRLDEHBX-UHFFFAOYSA-N 417.465 4.282 10 50 HICA CCOc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)ccc1OCc1ccccc1F 4644046 JDJLYYKEOUKOMK-DALCUZTNSA-N 424.457 4.052 10 50 HICA CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)SC1=S 4508925 MDAUPIXQOKIYTM-RUDMXATFSA-N 423.151 4.138 10 50 HICA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C)cc1 975348 CYSXPMJCECXCDZ-LDADJPATSA-N 413.520 4.444 10 50 HICA Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)OC(c3ccccc3)OC2=O)o1 1185425 COZDLXYTQFQOHQ-UHFFFAOYSA-N 404.374 4.135 10 50 HICA CN(C)c1ccc(CN2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1 14981315 BLVXUJDFFNVLEV-UHFFFAOYSA-N 405.464 4.006 10 50 HICA Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1[N+](=O)[O-] 2833352 AIQQJMMWOPQQGL-OVCLIPMQSA-N 400.437 4.007 10 50 HICA CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1 13810600 UUOMTVQIDZJSBO-LFIBNONCSA-N 418.927 4.285 10 50 HICA Cc1csc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)n1 1139637 FNMOKHPLCQKMHG-OTLSHVCWSA-N 415.565 4.238 10 50 HICA CCCN1C(=O)/C(=C\c2c(C)[nH]c3ccccc23)C(=O)N(c2ccccc2)C1=S 20136125 YDUSMPKGZGZCRB-XMHGGMMESA-N 403.507 4.430 10 50 HICA O=C1N=C(O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 1140469 BGQQBYDSBRMKRQ-LDADJPATSA-N 420.356 4.031 10 50 HICA COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCc1ccccc1F 13895592 HOTXPCJDTBWLRI-DALCUZTNSA-N 424.457 4.052 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)O)c2C(=O)OC)C1 239159703 MQOFZXYEVFMXSR-JPMPCMLZSA-N 419.543 4.125 10 50 HICA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/c3ccc(Br)cc3)C2=O)c(C)c1 4991622 QJXFQYIPEBZANR-YBEGLDIGSA-N 413.271 4.041 10 50 HICA CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(OC)cc3)cc2)SC1=S 5102429 VFAXSJGINGKPNX-RGEXLXHISA-N 415.536 4.374 10 50 HICA CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(O)c(OC)c1 22064933 LVOXPGZHPGAYFW-UNOMPAQXSA-N 407.466 4.285 10 50 HICA COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(OC)c1OC 1159203 LZXSDRPNQXBLDE-GDNBJRDFSA-N 405.472 4.257 10 50 HICA CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2cccc(OC)c2O)CC1 11933890 LNPHULADHDZWQZ-UHFFFAOYSA-N 417.933 4.442 10 50 HICA O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccccc1 15769275 ABMMUPQRDQISKP-LDADJPATSA-N 417.377 4.357 10 50 HICA Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1171434 BUOCOYLLPODLCO-DEOSSOPVSA-N 413.521 4.358 10 50 HICA O=C1C(=CNC2CCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 5562107 VKRUKZNSTUCBLD-UHFFFAOYSA-N 401.551 4.249 10 50 HICA COc1cccc(-c2ccc(O)c(CN3CCN(c4ccccc4Cl)CC3)c2)n1 14980436 JFWDGDXPNFQEBH-UHFFFAOYSA-N 409.917 4.438 10 50 HICA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)o1 13897581 PAXDEKGUCRYXFP-WQRHYEAKSA-N 423.812 4.278 10 50 HICA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1O 1181293 GTBWGOCQJYWCDQ-WJDWOHSUSA-N 418.927 4.276 10 50 HICA COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)cc1 15746795 COTUPXWPQGWZOT-KGENOOAVSA-N 416.408 4.152 10 50 HICA O=C1/C(=C/NCc2ccco2)C(c2ccccc2)=NN1c1nc2ccccc2s1 100567651 ALGXUZXQNOBAEG-SAPNQHFASA-N 400.463 4.314 10 50 HICA CCOc1ccc(C2=C/C(=C/c3ccc(I)o3)C(=O)O2)cc1 1202439 VEMZDEWNCZLHLE-XFXZXTDPSA-N 408.191 4.264 10 50 HICA N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 8453083 QIJJOYOTKLZCGU-HGYZZIEJSA-N 408.336 4.267 10 50 HICA O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 16427951 ALKRRWSPLNEMPF-XFFZJAGNSA-N 411.258 4.356 10 50 HICA CCc1ccccc1NC(=O)N1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 55327443 HNTABNUXEVQFKS-QFIPXVFZSA-N 422.573 4.076 10 50 HICA Cc1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])cc1C 16268039 OTAXOZSZDRRZSG-WQRHYEAKSA-N 421.384 4.072 10 50 HICA COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-] 1206938 VKABTMBVMSNWBW-MDWZMJQESA-N 402.200 4.347 10 50 HICA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)o1 15724103 CQJQWVAHWOZADZ-WQRHYEAKSA-N 423.812 4.278 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CC[C@@H](CC)C2 239306083 GJQWCOQFTRRDFP-DVKYCARXSA-N 419.543 4.125 10 50 HICA O=C(O)c1cccc(N2C(=O)/C(=C\c3conc3Cc3ccccc3)SC2=S)c1 1875329961 MLNCMNKPBKAQDI-WOJGMQOQSA-N 422.487 4.369 10 50 HICA O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(Cc2ccccc2O)C1 11873555 RMOBAGYFOMECMG-LJQANCHMSA-N 403.482 4.430 10 50 HICA COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1 1180270 ISWLGSMSNRYAEB-UKTHLTGXSA-N 421.305 4.142 10 50 HICA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1 1225755 UDBGHUQAXTXPAV-GXDHUFHOSA-N 405.237 4.059 10 50 HICA CC(/C=C1\SC(=S)N(CCC(=O)Nc2nccs2)C1=O)=C\c1ccccc1 5093097 OAPNOUSSCFILFP-DZIWGARNSA-N 415.565 4.319 10 50 HICA Cc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)c2C)cc1 12324564 UTPIRRBZRBQMPQ-HXUWFJFHSA-N 413.525 4.465 10 50 HICA Cc1cc(Br)c(O)c(CN[C@H](c2c(C)nn(C)c2C)C(F)(F)F)c1 170619380 DXJKXQCMBSJVBH-OAHLLOKOSA-N 406.246 4.207 10 50 HICA Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(O)cc4)S3)CC2)cc1Cl 4600357 XRRNCTAUXSSRIH-XDHOZWIPSA-N 413.930 4.147 10 50 HICA CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c1O 15011111 ITWPPNUYLYVVFW-YBEGLDIGSA-N 422.528 4.481 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCC2 17091907 FKYYYXZWVWYSCY-CXMPNGEBSA-N 419.543 4.269 10 50 HICA Cc1cc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)ccc1F 263619613 ZOXGPOIAEMUXIZ-UHFFFAOYSA-N 418.465 4.053 10 50 HICA COc1ccc([C@H]2CC(c3cc4c5c(c(=O)oc4c(C)c3O)CCCC5)=NN2)cc1 888088376 SKDYIDNMKVPZAT-HXUWFJFHSA-N 404.466 4.133 10 50 HICA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 3192980 BPLGNEYMBPHVEN-RMCZBGCRSA-N 422.380 4.401 10 50 HICA CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 4369138 AJXJNUFHXNOOCL-FZVWOUGZSA-N 409.427 4.130 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1 5953980 AFCOGGVMRMYEPO-ILXRZTDVSA-N 419.543 4.434 10 50 HICA COc1ccc(N2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 52537586 DFDOBWAFGIWGLD-UHFFFAOYSA-N 417.509 4.248 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CCCC2 17091906 FKYYYXZWVWYSCY-DNDXXGFKSA-N 419.543 4.269 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(Cc4[nH]c5ccccc5c4C)C3)CC2)cc1 20271013 XXUYBAVTKIGQBD-JOCHJYFZSA-N 418.585 4.272 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2 2486547 YEQKWUNUSLOHAO-UONOGXRCSA-N 405.516 4.189 10 50 HICA CCCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OCC 4949334 GHDSWMPKWBGHEJ-CPNJWEJPSA-N 408.454 4.378 10 50 HICA COCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 4791583 SJWIZDKCKORALY-LFIBNONCSA-N 404.469 4.093 10 50 HICA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)O)c(OCC)c1 15010995 NTKFLDORXPBSPC-AQTBWJFISA-N 408.454 4.135 10 50 HICA COC(=O)c1ccccc1N/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C 96435807 ITBRMAOZGONTOB-LDADJPATSA-N 406.467 4.192 10 50 HICA O=C1N=C(N2CCCCC2)S/C1=C1\C(=O)N(Cc2ccccc2)c2ccccc21 2288690 QJTWNWVIMINKRM-VXPUYCOJSA-N 403.507 4.060 10 50 HICA CCCCN1CCc2cc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)ccc21 2049455529 AFBVPRCSOXSZNL-UHFFFAOYSA-N 423.900 4.169 10 50 HICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 13894712 YAFKJGQUNYLJJJ-STZFKDTASA-N 416.408 4.071 10 50 HICA CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 26771407 BPLGNEYMBPHVEN-DREKTBMASA-N 422.380 4.401 10 50 HICA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)c1 8716730 NWZHTFYMSVYRIE-UHFFFAOYSA-N 423.244 4.017 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 100684885 KMBYEPFHPAIWIV-PYTWLRIVSA-N 419.543 4.269 10 50 HICA O=C(c1ccccc1)c1coc2ccc(O)c(CN3CCN(CC(F)(F)F)CC3)c12 252493150 NALGTAUZGGJEEY-UHFFFAOYSA-N 418.415 4.049 10 50 HICA Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(C)C1=O 1180080 QJKKXFLHOMBEDP-LICLKQGHSA-N 400.481 4.313 10 50 HICA CCN1C(=O)/C(=C\c2ccc(OC(=O)c3cccs3)c(OC)c2)SC1=S 5102542 NPWXNIFCGVDYAQ-XNTDXEJSSA-N 405.522 4.197 10 50 HICA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(CO)c1 100506343 FGGWXIZVDFEVJC-FYTMPNSFSA-N 405.483 4.486 10 50 HICA O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1 1233969 CEOTYHVCDODKRV-LFIBNONCSA-N 418.927 4.276 10 50 HICA Cc1cnc(C)c(-c2ccc(O)c(CN3CCN(c4cccc(C)c4C)CC3)c2)n1 14883564 XXUWHSXQNLGRMR-UHFFFAOYSA-N 402.542 4.405 10 50 HICA O=S(=O)(NCc1ccc(C(F)(F)F)s1)c1cc(Cl)cc(Cl)c1O 2325763459 PCPLPNGJBSSHJR-UHFFFAOYSA-N 406.234 4.258 10 50 HICA Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 1176722 RUNAILPEPUDURC-UDWIEESQSA-N 419.481 4.065 10 50 HICA Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)cc1 1194990 CDCCCLRBBMZLPE-KGENOOAVSA-N 415.518 4.234 10 50 HICA COC(=O)COc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc1 4820638 VZXVOBLGRSMRPJ-AVYPCKFXSA-N 413.857 4.417 10 50 HICA OCC[C@H]1CN(Cc2c(O)ccc3ccccc23)CCN1CCCc1ccccc1 22926280 GXKYNLBUVYGSGA-QHCPKHFHSA-N 404.554 4.047 10 50 HICA CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(F)c2)S1 1150412 ISZPESQDIOFTFW-MFOYZWKCSA-N 404.850 4.165 10 50 HICA COc1ccc2c3c(n(-c4ccc5nc[nH]c5c4)c(=O)c2c1OC)-c1ccccc1C3=O 824764675 YJFZVAWBCPRJEB-UHFFFAOYSA-N 423.428 4.096 10 50 HICA biogenic Cc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)c2C)cc1 12324565 UTPIRRBZRBQMPQ-FQEVSTJZSA-N 413.525 4.465 10 50 HICA COc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc([N+](=O)[O-])c1O 15011109 ZKAQYWGBFQWNGI-GDNBJRDFSA-N 408.501 4.091 10 50 HICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3C[C@@H](C)C[C@@H](C)C3)ccc12 16293475 WSXCDHZVCHLOTO-GASCZTMLSA-N 409.482 4.147 10 50 HICA Cc1cc(C(=O)N[C@@H]2CC[C@@H](C(=O)O)CCC2(F)F)c(C)n1-c1ccc(F)cc1 1875354745 NNOAFGSJFZHFOW-RDTXWAMCSA-N 408.420 4.242 10 50 HICA CCc1ccccc1NC(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 55327447 HNTABNUXEVQFKS-JOCHJYFZSA-N 422.573 4.076 10 50 HICA O=C1/C(=C/NCc2ccncc2)C(c2ccccc2)=NN1c1nc2ccccc2s1 100576423 MACANMXKZVUKGZ-OBGWFSINSA-N 411.490 4.116 10 50 HICA O=C(c1ccccc1)N1CCC[C@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506415543 PGHDKVGSFFNDOC-DEOSSOPVSA-N 403.570 4.039 10 50 HICA CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)CC1 44854074 SWSRPYZPWXIPCL-OAQYLSRUSA-N 421.585 4.246 10 50 HICA CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(/C=C2/SC(N)=NC2=O)cc1 138365452 YUJONWSYHZFKCY-VCEFJNLBSA-N 411.310 4.112 10 50 HICA COc1ccc(O)c(CN2CCC([C@H](Cc3ccccc3)N(C)C(=O)C(C)C)CC2)c1 11869572 CYOSHUDXGPHTFL-DEOSSOPVSA-N 424.585 4.339 10 50 HICA CC(C)(C)c1ccc(Oc2coc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 19789760 HHIXPOUVFRKTND-UHFFFAOYSA-N 409.482 4.421 10 50 HICA COc1ccc(CCN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C)cc1 4741219 IKALBYYEIUVONQ-XSFVSMFZSA-N 406.511 4.134 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCC2 239309537 HQVUWDSYASJVFR-WRFANHODSA-N 417.527 4.044 10 50 HICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3C[C@H](C)C[C@@H](C)C3)ccc12 1130690 WSXCDHZVCHLOTO-HUUCEWRRSA-N 409.482 4.147 10 50 HICA O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc([N+](=O)[O-])c1 9310299 FJSJYPBTCVBNQC-PJQLUOCWSA-N 420.855 4.383 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(C/C=C/c4ccccc4OC)C3)CC2)cc1 20324045 RGVFFYLFCJQCNC-LNJOJYBOSA-N 421.585 4.004 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C(=O)OC(C)C)C1 238997328 AFCOGGVMRMYEPO-QLFBSQMISA-N 419.543 4.434 10 50 HICA CC[C@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](CC)c1ccccc1O)c1ccccc1O 242338980 ZDYQIOJGOKAJSA-JYWFKMLOSA-N 424.541 4.349 10 50 HICA O=C(O)CN1C(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC1=S 2904818 RCRMUXAXYLHRSM-SXGWCWSVSA-N 419.911 4.205 10 50 HICA O=C1C(=CNCc2cccs2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 20827761 DHZVKBCVEPJZRR-UHFFFAOYSA-N 415.559 4.178 10 50 HICA aggregator COc1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)cc1 19583359 XBZIXOMHNATNQK-UHFFFAOYSA-N 409.360 4.380 10 50 HICA biogenic COc1cccc(CN(C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)c1O 12715180 CXQHGIZNIXYSES-IBGZPJMESA-N 402.966 4.441 10 50 HICA COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Br 15011047 VJWMYMAKPMACDK-ZSOIEALJSA-N 410.314 4.452 10 50 HICA COc1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1OC 19324032 PPBIUWQNWAWBFO-UHFFFAOYSA-N 420.509 4.132 10 50 HICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2cc(C)ccc2nc1N1CCOCC1 22078714 NUVWWZIECKDUBZ-CJLVFECKSA-N 412.493 4.186 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 229834278 DLXHGBDXLKHMRX-MGPQQGTHSA-N 407.532 4.268 10 50 HICA CC(C)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C(=O)N=C2S1 3890085 USYWGUMQRUNIDR-OIQQPNLJSA-N 424.507 4.242 10 50 HICA Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)c1 2156382 IUVWHVRJGQOOAW-CPNJWEJPSA-N 421.909 4.270 10 50 HICA C[C@H]1CCCCN1C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 2325729822 HOQKJGAJTFITQQ-JTHBVZDNSA-N 412.622 4.473 10 50 HICA COc1cccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1 1507239 UJBBCXFUGCYKRY-UHFFFAOYSA-N 414.486 4.444 10 50 HICA CN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4Cl)coc23)CC1 19362429 NSYHDAXCUCUAQG-UHFFFAOYSA-N 419.308 4.220 10 50 HICA biogenic Cc1cc(C)c(NS(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 4289715 PUXXQPLRORJVDI-UHFFFAOYSA-N 405.475 4.188 10 50 HICA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 22238474 PXALIRMCEIDKBV-UNOMPAQXSA-N 416.389 4.149 10 50 HICA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(F)cc3)C2=O)cc1 13809998 FINRLBUWFPBMIT-ATVHPVEESA-N 400.500 4.364 10 50 HICA O=C1C(=Cc2ccccc2[N+](=O)[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 2903443 LVCGPAUAIDWAJZ-UHFFFAOYSA-N 413.389 4.178 10 50 HICA CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 1212761 DQOUEARQFXLKAG-NBVRZTHBSA-N 411.552 4.079 10 50 HICA CCOc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(O)=NC2=S)cc1 1302063 AKWWHGBYRDAZQB-LDADJPATSA-N 405.479 4.249 10 50 HICA COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(O)c(OC)c3)SC2=S)cc1 4724844 IFTOGVLQTHCIQC-OQLLNIDSSA-N 407.900 4.469 10 50 HICA CCOc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc(Cl)c1O 15010843 CPKMRBBAYWRFRP-NVNXTCNLSA-N 406.916 4.241 10 50 HICA CCCCOc1ccc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 4950048 DJRAZQQAVFCKES-XDHOZWIPSA-N 408.454 4.378 10 50 HICA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 2087176 TVMGHSOEFYWQDM-LVSMMTLPSA-N 408.504 4.065 10 50 HICA biogenic Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)cc1 658328 AGFGXOMLKJFWSA-LDADJPATSA-N 406.438 4.225 10 50 HICA CCc1cccc2c(/C=C3\C(=O)N(c4cccc(OC)c4)C(=S)N=C3O)c[nH]c12 20232535 SEZOXEVGCJWDFB-ZDLGFXPLSA-N 405.479 4.411 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 2103403 WVBDMEVHCIXOOZ-KGLIPLIRSA-N 407.532 4.413 10 50 HICA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1 8315454 ZELFHSXQFBBQEA-VKAVYKQESA-N 411.552 4.264 10 50 HICA O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N=C3O)o2)cc1 20058119 YPWOJXFVKQGGKM-ATVHPVEESA-N 402.362 4.152 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 169619733 AEKZUEJIEWTYSI-MGPQQGTHSA-N 405.516 4.044 10 50 HICA CC1=NN(c2nc(-c3ccccc3O)cs2)C(=O)/C1=C\c1ccc(N(C)C)cc1 12403868 MOUHPFFFDMMMDW-PDGQHHTCSA-N 404.495 4.388 10 50 HICA CCc1ccc(/C=C2\C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)cc1 4916953 MVCKZQBMNOSLKR-ZXTIBJMCSA-N 404.495 4.256 10 50 HICA Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O 1773967 HDBYUUGEVDWEPC-UHFFFAOYSA-N 411.866 4.225 10 50 HICA COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)CC2)cc1 2695479 WLRVVSHKNDLORG-KRWDZBQOSA-N 402.922 4.082 10 50 HICA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)c1C 1172707 FNFKUBFDCDULKH-LDADJPATSA-N 404.397 4.369 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 2103399 WVBDMEVHCIXOOZ-ZIAGYGMSSA-N 407.532 4.413 10 50 HICA COc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1OC 1219003 SODCIWIGEOKFSE-QFIPXVFZSA-N 414.461 4.477 10 50 HICA CCOc1cccc(CN2CCC[C@H](C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)c1O 12431554 YSRIMMJKDIPPNO-IBGZPJMESA-N 420.513 4.032 10 50 HICA CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(N4CCOCC4)cc3)cc2)CC1 72437593 SJUWNUGMXNMBCD-HXUWFJFHSA-N 407.558 4.251 10 50 HICA COc1ccc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)cc1Cn1cccn1 11874532 PHKRWJYRKKODHT-SFHVURJKSA-N 401.514 4.285 10 50 HICA O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1221214 JUCWIQXFGDZRGX-GDNBJRDFSA-N 423.346 4.469 10 50 HICA O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1nccs1 13576699 VIWXNOBHPBLXRY-XFXZXTDPSA-N 409.945 4.027 10 50 HICA COc1cccc(-n2c(CN(C)Cc3ccccc3O)nnc2SCC(C)C)c1 55308155 UHLTYPCEGAFBTJ-UHFFFAOYSA-N 412.559 4.362 10 50 HICA CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)S1 1128234 NRCPMKYGISWZGM-MFOYZWKCSA-N 404.850 4.165 10 50 HICA COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)cc1 16806760 MVYZMRXSWMOHIS-JXAWBTAJSA-N 412.536 4.315 10 50 HICA COc1ccc(-c2ccc(C=C3C(=O)OC(C)(C(C)(C)C)OC3=O)o2)c([N+](=O)[O-])c1 1172802 VQGFWMUWTLUVMO-UHFFFAOYSA-N 415.398 4.109 10 50 HICA C/C(NCc1ccco1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100095456 JZRCUXFUFIWVCD-UVTDQMKNSA-N 406.389 4.218 10 50 HICA COc1ccc(OC)c(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)c1 100422701 OWCPGLNSDHRKPC-UNOMPAQXSA-N 408.483 4.422 10 50 HICA Cc1c([C@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1ccc(F)cc1 906497392 ZIHYPIKGZLGNRX-INIZCTEOSA-N 422.504 4.368 10 50 HICA CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3O)C(O)=NC2=S)cc1 759593 HYBZSKQMHGBUQO-XNTDXEJSSA-N 402.859 4.116 10 50 HICA N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(c3ccccc3)=NN12 15800218 CTYPJFYHMKNQRY-FYWBKXHBSA-N 417.277 4.366 10 50 HICA O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1 1162526 UEKZEZIDXAYVFH-SFQUDFHCSA-N 406.825 4.262 10 50 HICA CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1198123 HSUMJMMJYSAGLB-QGOAFFKASA-N 413.930 4.018 10 50 HICA COc1ccc(CCn2c(S)nnc2-c2ccc(-n3cccc3)cc2)cc1OC 17087425 REMGBRNJMPFDBN-UHFFFAOYSA-N 406.511 4.284 10 50 HICA O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 15303427 KWEVDKAPFCLICQ-UHFFFAOYSA-N 424.792 4.480 10 50 HICA COc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1 15800644 LOISPBPWJNOXHI-BOPFTXTBSA-N 421.927 4.295 10 50 HICA CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c(CN(C)C)c1O 4531308 ZRWDPSHNBLHZKI-UHFFFAOYSA-N 403.482 4.284 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(Cl)c(F)c4)C3)CC2)cc1 20234241 DBSDWFUDLSPVHF-FQEVSTJZSA-N 417.956 4.274 10 50 HICA CCN1C(=O)/C(=C/C(CCC(=O)OC)=C2\Sc3ccccc3N2C)SC1=S 19811005 XOKCYGFHRDOMSL-BRRADNGLSA-N 420.581 4.157 10 50 HICA CC[C@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)N[C@H](CC)c1ccccc1O)c1ccccc1O 242338979 ZDYQIOJGOKAJSA-DGQTTZFYSA-N 424.541 4.349 10 50 HICA CCOC(=O)c1ccccc1NCN1C(=O)/C(=C\c2cccs2)SC1=S 4956076 XXMXLRVFNAJMCA-XNTDXEJSSA-N 404.538 4.196 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 2103401 WVBDMEVHCIXOOZ-KBPBESRZSA-N 407.532 4.413 10 50 HICA O=C1N=C(N2CCCCC2)S/C1=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 15227188 MBCBCMAOYKUVMK-VXPUYCOJSA-N 421.497 4.199 10 50 HICA Cc1cccc(N2CCN(CN3C(=O)/C(=C/c4cccs4)SC3=S)CC2)c1 19799314 IBMQVALCZUPNCD-AQTBWJFISA-N 415.609 4.037 10 50 HICA CCN1C(=O)/C(=C/C=C2/Sc3ccc4ccccc4c3N2CCO)SC1=S 32666590 OBDZXKUEZRGZQN-ZAGBYUSBSA-N 414.577 4.350 10 50 HICA C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)C1 106231563 ZXWLWGLDLORQAZ-SFTDATJTSA-N 421.585 4.246 10 50 HICA O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1C(=O)c1ccc(Cl)cc1 408821966 BBDOLMSZAGQBKO-NTEUORMPSA-N 404.856 4.290 10 50 HICA CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c(O)c1 1249524 HVTYHINGSHOUQG-GZTJUZNOSA-N 413.474 4.049 10 50 HICA COc1ccc(CN[C@H]2CCCN(Cc3ccccc3F)C2)cc1CN1CCCC1 952967533 BOTMFWNVONBCIN-QHCPKHFHSA-N 411.565 4.184 10 50 HICA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 1220690 OWEBLJIPOUNSKT-RIYZIHGNSA-N 405.237 4.059 10 50 HICA C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)C1 44854987 ZXWLWGLDLORQAZ-LEWJYISDSA-N 421.585 4.246 10 50 HICA COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1F 660145 AJXBPUXRZKWEEX-YBEGLDIGSA-N 416.246 4.465 10 50 HICA Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)cc1 13660894 OVMMVVBCGKLMPL-ODLFYWEKSA-N 423.856 4.003 10 50 HICA COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(OC)c1OC 13768556 QEBHJNANQNEVGZ-AQTBWJFISA-N 415.536 4.156 10 50 HICA CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 15684893 LTLFPXYAISHPAS-GDNBJRDFSA-N 402.453 4.105 10 50 HICA O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccc(-c2ccncc2)o1 1875254269 FIYHEVDOWSIESL-SFHVURJKSA-N 411.889 4.095 10 50 HICA CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C(=O)NC2=S)cc1 2878703 JSISJXVZLPWIMO-OQLLNIDSSA-N 421.305 4.223 10 50 HICA COc1ccc(N2CCN(C(=S)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)CC2)cc1 4687491 QCZBETCYIVEVIA-QZGUCNERSA-N 413.631 4.297 10 50 HICA CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Oc1ccc(/C=C2/SC(N)=NC2=O)cc1 138365535 YUJONWSYHZFKCY-XCMZPOAWSA-N 411.310 4.112 10 50 HICA COC(=O)COc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]32)cc1 13152820 VZXVOBLGRSMRPJ-SXGZJXTBSA-N 413.857 4.417 10 50 HICA CCCCOc1ccccc1/C=C1/SC(N2CCC(C(=O)OCC)CC2)=NC1=O 2811783 YTCXREFUOFLIQL-XDJHFCHBSA-N 416.543 4.111 10 50 HICA Cc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)ccc12 886025333 IPWQLVQKHZVQJV-DZNWXHPMSA-N 420.553 4.202 10 50 HICA Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1 8439124 NKWHHMDBDZPZNO-BOPFTXTBSA-N 422.824 4.068 10 50 HICA CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672182 RDMFGWHISCULNP-MSUUIHNZSA-N 414.939 4.478 10 50 HICA C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 816819938 UQVWDNDRDVOJAH-QLPIVEQLSA-N 407.388 4.118 10 50 HICA CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2 3983155 VOLYQIPGIGYEAK-KBPBESRZSA-N 405.516 4.189 10 50 HICA COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c1 13659350 GXNZLBHSYDKCJY-KRWDZBQOSA-N 416.949 4.363 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)O)c2C(=O)OC)C1 17091900 MQOFZXYEVFMXSR-MVWHDRDWSA-N 419.543 4.125 10 50 HICA CCn1c(C)cc(/C=C2\C(=O)N=C(O)N(c3ccc(Cl)cc3Cl)C2=O)c1C 17252685 ASMDHOJRHUGERT-RIYZIHGNSA-N 406.269 4.302 10 50 HICA COc1ccc([C@H](NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2O)cc1OC 801094 MDXIDWIREKGPHO-IBGZPJMESA-N 414.889 4.473 10 50 HICA O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1cccc(O)c1 4077026 CCRCJXKOQBBQJS-PDGQHHTCSA-N 406.488 4.092 10 50 HICA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 13477234 OZWZCRUQNGANOX-QPEQYQDCSA-N 412.070 4.217 10 50 HICA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(F)c3)C2=O)cc1 13802157 XIPLFXJUUPWKSS-BOPFTXTBSA-N 400.500 4.364 10 50 HICA C/C(Nc1ccccn1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100095185 JZLKQVJCGVKQMT-UVTDQMKNSA-N 403.389 4.342 10 50 HICA O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccccc1O 5101233 MZNBPYUCXSWVOO-SFQUDFHCSA-N 416.499 4.151 10 50 HICA O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1230645 BXMCFGQHHTULNZ-UHFFFAOYSA-N 416.842 4.280 10 50 HICA CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1 4855794 ZYINABMYTYXULJ-FZVWOUGZSA-N 409.427 4.130 10 50 HICA CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(CO)c1 59706139 FGGWXIZVDFEVJC-SMIQVMJNSA-N 405.483 4.486 10 50 HICA COc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)SC1=S 1136749 TXGJWWVRUKQTAY-WJDWOHSUSA-N 417.508 4.127 10 50 HICA CCCCC(=O)N[C@H](c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O 2997619 TZCXJFSOVKTVNT-HXUWFJFHSA-N 409.442 4.253 10 50 HICA Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1cccc(F)c1 628158 DZNWREKKWHVCTG-UHFFFAOYSA-N 407.474 4.184 10 50 HICA O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1C[C@@H]1CCCO1 1087660 ZTLRPNBAVPUXJC-VZWMTCDZSA-N 416.480 4.235 10 50 HICA Cc1cc(C(=O)N2CCC([C@H]3OCCC[C@H]3N)CC2)c(C)n1-c1ccc(Cl)cc1 1775988844 LUUAUGVMLZVBGM-FGZHOGPDSA-N 415.965 4.106 10 50 HICA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(O)c1 5555145 KHBANNCWVCAWBI-RVDMUPIBSA-N 404.538 4.074 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(SC)cc4)C3)CC2)cc1 19595665 BBMDHIXPEOUTHM-QFIPXVFZSA-N 411.615 4.204 10 50 HICA O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 978004 MBNQKXPZUNTJDC-DFSFMLJYSA-N 403.912 4.237 10 50 HICA COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3ccc(C)cc32)S1 3880380 LKCHFBAGXNICFT-UHFFFAOYSA-N 421.565 4.275 10 50 HICA CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(CCOC)C3=O)c2c1 15010772 JVCHXRVLKYKBNK-UYRXBGFRSA-N 417.552 4.485 10 50 HICA COc1ccc(O)c(CN2CCC([C@@H](Cc3ccccc3)N(C)C(=O)C(C)C)CC2)c1 11869570 CYOSHUDXGPHTFL-XMMPIXPASA-N 424.585 4.339 10 50 HICA COc1ccccc1OCCCOc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 4755054 XIYXJKSDZVXVBW-XMHGGMMESA-N 415.536 4.374 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCC2 4894249 VOLYQIPGIGYEAK-KGLIPLIRSA-N 405.516 4.189 10 50 HICA CCOc1ccc(Cl)cc1/C=C1/C(=N)N2N=C(c3ccccc3)SC2=NC1=O 15800618 JFDNCGAXUNHEMC-OTLVRQKTSA-N 410.886 4.406 10 50 HICA CC[C@H](C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 245253914 RYRLLQGGPVZURO-AVVLXZEZSA-N 417.527 4.044 10 50 HICA C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 2672403 XHFYPQOHZOWMFW-KAECEXQPSA-N 403.525 4.240 10 50 HICA CCOc1cccc(CN(C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1O 55109239 KUZICGMPDPCKQW-HXUWFJFHSA-N 400.538 4.317 10 50 HICA Cc1cc(C(=O)N2CCC([C@@H]3OCCC[C@H]3N)CC2)c(C)n1-c1ccc(Cl)cc1 1775988846 LUUAUGVMLZVBGM-YADHBBJMSA-N 415.965 4.106 10 50 HICA Oc1ccc(Cl)cc1C1=NN[C@@H](c2cc(Br)cc3c2OCOC3)C1 13124862 ZRBLHQJXXKLBFX-OAHLLOKOSA-N 409.667 4.113 10 50 HICA biogenic COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2cccnc2)C1=O 15010882 WHFRKEZCJQLPLR-NVNXTCNLSA-N 421.341 4.254 10 50 HICA COc1ccc(C(=O)c2c(C(F)(F)F)oc3c2C(=O)c2ccccc2C3=O)cc1 1214105 YKGNFJJJTAQTNP-UHFFFAOYSA-N 400.308 4.313 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(Cl)c(F)c4)C3)CC2)cc1 20234238 DBSDWFUDLSPVHF-HXUWFJFHSA-N 417.956 4.274 10 50 HICA COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)C 16675801 LXOMYAHUKPQTOP-RIYZIHGNSA-N 421.280 4.251 10 50 HICA Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCC(=O)N2CCCCCC2)c1 109664963 JBAVPEHGCXUIQE-UHFFFAOYSA-N 401.938 4.270 10 50 HICA CCCCn1ncc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1C(C)C 328595017 IQASOLHKZAMGGC-UHFFFAOYSA-N 404.898 4.134 10 50 HICA CN1C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)N(C)C1=O 1147819 OGYOVXNTBTWGFO-UHFFFAOYSA-N 419.264 4.006 10 50 HICA O=C(c1ccco1)c1coc2ccc(O)c(CN3CCN(c4ccccc4F)CC3)c12 218515881 AXWUSAWLWAISIO-UHFFFAOYSA-N 420.440 4.424 10 50 HICA Cc1cc(C(=O)N2CCC([C@H]3OCCC[C@@H]3N)CC2)c(C)n1-c1ccc(Cl)cc1 1775988843 LUUAUGVMLZVBGM-FCHUYYIVSA-N 415.965 4.106 10 50 HICA CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)sc2c1CCCCC2 1097631 OYPJVRNSQJPEPE-OAHLLOKOSA-N 419.543 4.398 10 50 HICA COCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1795091 CHXUPIPEVCNITO-UYRXBGFRSA-N 415.536 4.122 10 50 HICA Oc1ccc(-c2ccccn2)cc1CN1CCN(C2C3CC4CC(C3)CC2C4)CC1 20211508 BPCSEGHMSYZUQR-UHFFFAOYSA-N 403.570 4.397 10 50 HICA CCN(CC)c1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 2315062 KAQFBMFZSYSZLO-RELWKKBWSA-N 420.582 4.325 10 50 HICA COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc12 22107472 ZJDHPEBOXAFHNJ-WQRHYEAKSA-N 422.893 4.333 10 50 HICA COc1ccc(CCN2CCC[C@@H](CN(C)Cc3cc(Cl)ccc3O)C2)cc1 55061115 SZSIGUSJAAIMHM-IBGZPJMESA-N 402.966 4.441 10 50 HICA COc1cc(Br)cc(CN2CCN(c3cccc(C)c3C)CC2)c1O 55292190 OFEVEIUHJHAXKB-UHFFFAOYSA-N 405.336 4.102 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCC2 5951524 VLJRHBZZJIXPBY-UONOGXRCSA-N 405.516 4.189 10 50 HICA Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl 16264821 YAZBTUAVNQYFKP-QGOAFFKASA-N 419.868 4.414 10 50 HICA O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C(=O)c1ccccc1 408720037 WEAALADITQLOCT-GXDHUFHOSA-N 404.310 4.491 10 50 HICA Cc1cccc(C2=NN3C(=N)/C(=C\c4ccc(Br)o4)C(=O)N=C3S2)c1 3867726 RNYHTNNGLGSIMK-KBVRANJKSA-N 415.272 4.018 10 50 HICA Cc1cc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c(C)n1-c1ccc2c(c1)OCCO2 111209680 DMMKCFXDQBLCIN-FQEVSTJZSA-N 417.509 4.192 10 50 HICA COc1ccccc1N=Nc1c(C)nn(-c2cc(S(=O)(=O)O)ccc2Cl)c1O 254501300 NXGHAYHVIAMUBQ-UHFFFAOYSA-N 422.850 4.210 10 50 HICA COc1ccc(NC(=O)[C@@H]2CC23CCN(Cc2ccccc2O)CC3)cc1Cl 11996191 JEBCMFZAUVDALV-KRWDZBQOSA-N 400.906 4.295 10 50 HICA COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 1170997 GPMJTCCXJXBXKT-UNOMPAQXSA-N 407.466 4.401 10 50 HICA COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)cc2sc(=O)oc12 3891101 QDOAPTXVJDBHEU-MKMNVTDBSA-N 400.843 4.323 10 50 HICA biogenic CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1 13482395 HDKLDDWHIQFXHF-QINSGFPZSA-N 417.581 4.326 10 50 HICA aggregator CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC 13533518 GXPKVTYVWKRUPI-BOPFTXTBSA-N 415.492 4.198 10 50 HICA COc1ccc(/C=C2/C(=O)N(c3ccc(I)cc3)N=C2C)cc1 100869008 VWXPJFMDBSTNBX-GZTJUZNOSA-N 418.234 4.106 10 50 HICA C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 222459109 ODQVKUHWZHROQU-UXHICEINSA-N 407.558 4.251 10 50 HICA CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 1155346 NWKDCNLOPAGMPT-HMHNVIDESA-N 416.836 4.323 10 50 HICA CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 1171319 HIEHQMIFYVYWSU-NTEUORMPSA-N 405.237 4.059 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 245227824 QNNSRAVTQRKQDP-WRFANHODSA-N 417.527 4.044 10 50 HICA Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cl)C2=O)ccc1Br 1210993 QKPYYPAODYHHBO-UKTHLTGXSA-N 419.662 4.077 10 50 HICA COc1cccc(NC(=O)c2ccc3c(c2SC)C(=O)c2ccccc2C3=O)c1 4718143 BXHZFZVJLLFROR-UHFFFAOYSA-N 403.459 4.445 10 50 HICA Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@H]2NC(=O)c1cnns1 170641974 QWVUEIGGEFSEFT-HNNXBMFYSA-N 406.433 4.463 10 50 HICA CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 1198745 OVWYABRNGLXOEU-NTUHNPAUSA-N 423.227 4.198 10 50 HICA COc1cccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)c1 1203210 OOQDHSDIHJPLFC-YVLHZVERSA-N 417.508 4.127 10 50 HICA COc1ccc(N2CCN(Cc3nc(-c4ccc(OC)c(C)c4)oc3C)CC2)cc1 55270004 ZLPBFLOTHSAFHB-UHFFFAOYSA-N 407.514 4.298 10 50 HICA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(O)cc1 1182578 MJAYRHXISNYYQR-WJDWOHSUSA-N 418.927 4.276 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCC2 100684882 KMBYEPFHPAIWIV-CLROSIBMSA-N 419.543 4.269 10 50 HICA CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 1180711 INNDXPMYLBKBMW-UYRXBGFRSA-N 424.547 4.428 10 50 HICA CCCCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 16115395 JDWNCLSUQNLNCV-BRYHAGSVSA-N 407.557 4.254 10 50 HICA Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 16193613 XTEVAKVAKFBAAH-MOSHPQCFSA-N 402.410 4.100 10 50 HICA Cc1c(N2C(=O)/C(=C\[C@H]3CC=CCC3)SC2=S)c(=O)n(-c2ccccc2)n1C 4832289 MKIGVKWUTCNDLG-XOAFGZPJSA-N 411.552 4.089 10 50 HICA COc1ccc(/C=C/CN2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 19795184 QBVSDFMGMRUPGN-JURIHQFCSA-N 421.585 4.004 10 50 HICA CN(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1 1190639 CGRQAVCJITVZQN-UHFFFAOYSA-N 406.467 4.281 10 50 HICA COc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c1C 1260426 YVPPSKWSHCMFRL-LDADJPATSA-N 419.437 4.198 10 50 HICA CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 22146651 NISGBDVQKXSOTJ-UNOMPAQXSA-N 417.377 4.359 10 50 HICA CCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O 39708025 ZMWXCFUGRBATKA-IBGZPJMESA-N 400.862 4.227 10 50 HICA Cc1cccc(N(C)CCNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1 2325880172 XTOUZQUQDGRBDY-UHFFFAOYSA-N 419.525 4.040 10 50 HICA Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3Cc3ccccc3O)cc2)n1 19148124 AUUWLCTZOLMQKO-JOCHJYFZSA-N 404.514 4.188 10 50 HICA O=C(O)CCCCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 1916904 LMPMYUYPPMCFOO-JLHYYAGUSA-N 414.346 4.295 10 50 HICA CCc1cc(=O)oc2cc(C)c(C3=NN[C@@H](c4cn(C)c5ccccc45)C3)c(O)c12 2084329453 HPJFRIWUDMHNIE-QGZVFWFLSA-N 401.466 4.300 10 50 HICA COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(C)cc1 101032342 YZTZFSPANXCZHV-XSFVSMFZSA-N 420.494 4.257 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCCC2 239159622 MMDQSYAXRCIIGA-WRFANHODSA-N 417.527 4.045 10 50 HICA COCCc1noc([C@H]2CCCCN2C(=O)c2cc(C)n(-c3ccccc3)c2C)n1 952979072 DADOLOBYZNLSII-HXUWFJFHSA-N 408.502 4.033 10 50 HICA O=C1c2ccccc2-c2onc3c(Br)cc(NC(=O)C(F)(F)F)c1c23 1152173 CQVGRIAUKCOURN-UHFFFAOYSA-N 411.133 4.303 10 50 HICA CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)c(OC)c2)SC1=S 1207162 DQIKMCACCMPMOA-BOPFTXTBSA-N 417.483 4.275 10 50 HICA COc1cccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 4811275 FWYRSFZERXAJHX-UHFFFAOYSA-N 412.873 4.473 10 50 HICA COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1OC 1160163 DSDFIZGBBAPFAQ-WJDWOHSUSA-N 401.509 4.427 10 50 HICA Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1 1186649 UURMOJCRJXJTJZ-PXNMLYILSA-N 418.927 4.194 10 50 HICA COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccccc2O)C3)cc1OC 14885016 YZUXRGDOLARUOF-UHFFFAOYSA-N 421.493 4.480 10 50 HICA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1 686966 AAAYRHFLQUCWDN-KPKJPENVSA-N 412.070 4.217 10 50 HICA COc1cc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)cc(OC)c1O 8743021 WCNUHXQPAMYCJM-SXGWCWSVSA-N 410.426 4.040 10 50 HICA O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)c(Cl)c1 1198075 QAGXHIDIZXLGPF-RMKNXTFCSA-N 411.628 4.019 10 50 HICA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1 22185138 XRPVWJJSOJZCRL-MDWZMJQESA-N 424.762 4.034 10 50 HICA CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(CC)cc3)C(C(=O)OC)=C2C)cc1 1133635 IZTFEDROKVOURT-QNGOZBTKSA-N 419.477 4.303 10 50 HICA COc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 4755396 CPJUSMOPYIMOBU-XMHGGMMESA-N 415.536 4.374 10 50 HICA COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)OC(C)C)C2=O)ccc1O 13739140 GYMNLFZOZYIHQC-SFQUDFHCSA-N 423.556 4.114 10 50 HICA C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 106231559 ZXWLWGLDLORQAZ-RTWAWAEBSA-N 421.585 4.246 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCC2 2109067 QNLDFZYJVLUHMZ-GJZGRUSLSA-N 405.516 4.189 10 50 HICA COc1ccc(NC(=O)[C@H]2CC23CCN(Cc2ccccc2O)CC3)cc1Cl 11996192 JEBCMFZAUVDALV-QGZVFWFLSA-N 400.906 4.295 10 50 HICA Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)cc1 16156566 KLQMYXPIFNEZDC-JCMHNJIXSA-N 412.445 4.240 10 50 HICA C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 1875264493 UQVWDNDRDVOJAH-RHTSXFMZSA-N 407.388 4.118 10 50 HICA O=C(CCCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1 1186180 ODIZQFZHSUDGGS-SFQUDFHCSA-N 416.499 4.151 10 50 HICA CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCCCC3)C2=O)cc1 15799806 BBWRBJAOJXBZAG-SDXDJHTJSA-N 418.584 4.079 10 50 HICA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCc1c[nH]c2ccccc12 100163440 UDMMLJBZVHBLHA-HMMYKYKNSA-N 417.469 4.295 10 50 HICA O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(c2ccccc2)C1=O 1810851 NQTYYRQKRAFTOJ-YPKPFQOOSA-N 417.309 4.177 10 50 HICA COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 2325719282 NDZCHKLBYPAOMX-QGZVFWFLSA-N 402.494 4.455 10 50 HICA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1090980 HSEINUAAQBBEGI-XGICHPGQSA-N 416.183 4.067 10 50 HICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N(C)c3ccccc3)ccc12 1129180 KKPFQGGFROOVDR-UHFFFAOYSA-N 403.434 4.305 10 50 HICA COc1ccc(CN2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1 1164977 TXJDMUDVYUXARA-BOPFTXTBSA-N 401.509 4.114 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 245227513 INVWZBUELNTXFW-MGBSGCIJSA-N 417.527 4.045 10 50 HICA C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 1875264494 UQVWDNDRDVOJAH-VDIBCWOKSA-N 407.388 4.118 10 50 HICA C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(N4CCOCC4)cc3)cc2)C1 72441622 ODQVKUHWZHROQU-VQTJNVASSA-N 407.558 4.251 10 50 HICA Cc1c([C@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1cccc(F)c1 11821208 UOLDXCKRPKJRAE-INIZCTEOSA-N 422.504 4.368 10 50 HICA O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1ccccc1 1204820 UBDRXNDJHAOKPW-FLIBITNWSA-N 413.261 4.290 10 50 HICA Nc1c(C(=O)Nc2ccccc2)cc(Br)c2c1C(=O)c1ccccc1C2=O 3879123 RKRDKQSYPVQSHT-UHFFFAOYSA-N 421.250 4.059 10 50 HICA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1F 13940191 GEJQWNMVDOUZDD-RGEXLXHISA-N 416.408 4.071 10 50 HICA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1 1195142 DDUCSLNZEMMRGJ-KPKJPENVSA-N 412.070 4.217 10 50 HICA CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 2381743 BPLGNEYMBPHVEN-MDUDVEDUSA-N 422.380 4.401 10 50 HICA O=C(NCC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(-n3cccc3)cc2)no1 4623100 ZBBNRBAKVKUWKR-UHFFFAOYSA-N 402.498 4.474 10 50 HICA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 15012824 KKGFDHADCNMZHY-BOPFTXTBSA-N 410.401 4.056 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCC2 239184748 QWYYJWBCGZOZOL-MGBSGCIJSA-N 417.527 4.045 10 50 HICA CN(C)c1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2cccs2)cc1 4757658 MFJHKSGAEZTKJB-UHFFFAOYSA-N 403.511 4.373 10 50 HICA CCOC(=O)C1(Cc2ccccc2Cl)CCN(Cc2cc(OC)ccc2O)CC1 14958571 FDUFUUKKLHENGO-UHFFFAOYSA-N 417.933 4.442 10 50 HICA COc1ccc(N2CN(c3ccc(OC)cc3)CN(c3ccc(OC)cc3)C2)cc1 59501924 KCXDQGHUQVPUFS-UHFFFAOYSA-N 405.498 4.418 10 50 HICA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCc1cccc(C(F)(F)F)c1 100380102 PIJUIVUDCZWMKI-BOPFTXTBSA-N 404.348 4.010 10 50 HICA O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1230377 XWWNTGSHESASKN-UHFFFAOYSA-N 416.842 4.280 10 50 HICA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(O)c3)C2=O)cc1 1180621 AKSSAECCIWADQL-LDADJPATSA-N 412.536 4.321 10 50 HICA CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2672178 FAFLGAADXZEKHL-NXVVXOECSA-N 400.912 4.088 10 50 HICA O=C(c1ccc(OC2CCN(Cc3cc(Cl)ccc3O)CC2)cc1)N1CCCC1 12747579 QUVDYVWUTKVIMT-UHFFFAOYSA-N 414.933 4.325 10 50 HICA O=C(c1ccccc1)N1CCC[C@@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506415549 PGHDKVGSFFNDOC-XMMPIXPASA-N 403.570 4.039 10 50 HICA COc1ccc(C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1 5126530 DORUCTWNQVTEIE-UHFFFAOYSA-N 402.494 4.237 10 50 HICA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 6645255 LJYGVLOXOVJOMK-PDGQHHTCSA-N 422.824 4.275 10 50 HICA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 9010376 YZSJTQUARCRXAF-UNOMPAQXSA-N 416.389 4.149 10 50 HICA O=C(CSc1nc2ccccc2o1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9833663 FSOXQZACPIXKKE-UHFFFAOYSA-N 414.442 4.334 10 50 HICA O=C(O)CN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 2379715 HKGHUCHZLWVMOG-CXUHLZMHSA-N 419.911 4.205 10 50 HICA CC[C@@H](C)N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S 4846207 PXZUTVXRTQBYKI-OTWJJXBCSA-N 415.946 4.173 10 50 HICA CCOc1cc(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1O 16156132 NEUCAKQINGVMFH-YBEGLDIGSA-N 401.260 4.360 10 50 HICA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/C=C/c1ccco1 101726782 YFXYARLFQWEJRM-NKJMRRHMSA-N 404.207 4.247 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CCCC2 17091924 XSNLJBKPXBLLRQ-SMELUJQZSA-N 419.543 4.268 10 50 HICA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 6645262 MZPNRXCYDFBGSU-PDGQHHTCSA-N 422.824 4.275 10 50 HICA Cc1c([C@@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1ccccc1 11817130 KBYIHYHVMMUCBQ-QGZVFWFLSA-N 404.514 4.229 10 50 HICA CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N=C2S1 4837135 DNQYJGOOZTYPGH-FMVWKBIMSA-N 409.427 4.192 10 50 HICA Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1 15722649 IQIAFUDQUURHPK-PDGQHHTCSA-N 416.389 4.460 10 50 HICA C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)/C=C/c1ccc(O)c(O)c1 816819937 UQVWDNDRDVOJAH-DPNCUPJTSA-N 407.388 4.118 10 50 HICA COc1ccc(CCN2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1 6441523 IYZKZFASVXTOLE-MOSHPQCFSA-N 409.532 4.458 10 50 HICA COc1cccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)c1 15857268 OZAOEIMRIOWSGH-CPNJWEJPSA-N 415.536 4.374 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(Cc4cccc(SC)c4)C3)CC2)cc1 19229438 VIISTGQPLNJIDS-QFIPXVFZSA-N 411.615 4.204 10 50 HICA Oc1ccc(-c2cnccn2)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 64057982 JXACFOQHHGJNTN-UHFFFAOYSA-N 414.431 4.190 10 50 HICA CCOc1ccccc1/C=C1/SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O 1180968 QJWVGYLNITWJAK-LTGZKZEYSA-N 407.539 4.186 10 50 HICA CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1Cl 1193930 CIOFDKKWAGKXNJ-RIYZIHGNSA-N 421.305 4.223 10 50 HICA O=C1/C(=C/c2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 252485429 GVNJFFBCCLWDFJ-XDHOZWIPSA-N 413.389 4.158 10 50 HICA Cc1c([C@@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1ccc(F)cc1 906497393 ZIHYPIKGZLGNRX-MRXNPFEDSA-N 422.504 4.368 10 50 HICA CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCCCC3)C2=O)cc1 15799976 QXIZMGPBLJXIHL-OBGWFSINSA-N 402.585 4.243 10 50 HICA CC[C@H](C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCC2 239159551 MHYQCSCLIFEYPT-MELADBBJSA-N 405.516 4.188 10 50 HICA OC1CCN(c2ccc(CNc3nc(-c4ccccn4)nc4sccc34)cc2)CC1 1875339358 GQPNTMWHLNWXRS-UHFFFAOYSA-N 417.538 4.327 10 50 HICA O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)Nc1cccc2ccccc12 3877756 VNEZLJAZQLJNEQ-UHFFFAOYSA-N 413.454 4.416 10 50 HICA O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1CCCc1ccccc1 36154326 OEDOZTWQKNWNFA-ATVHPVEESA-N 400.481 4.134 10 50 HICA O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(Br)cc2)C1=O 2452114 CXQXACWVBZEHID-YPKPFQOOSA-N 417.309 4.177 10 50 HICA COc1ccc(/C=C/CN2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 19795183 QBVSDFMGMRUPGN-ISTCRNMPSA-N 421.585 4.004 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CC[C@H](C)C2 17091919 PYDNKZZUYLKQJX-XZJROXQQSA-N 419.543 4.435 10 50 HICA CCCCC[C@H](O)/C=C/[C@@H]1c2cc(CCCC(=O)O)n(-c3ccccc3)c2C[C@H]1O 27642584 NDBNTPXHPVUIPU-SGGHNVSSSA-N 411.542 4.383 10 50 HICA in-vitro CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)S1 1146586 CUNRJVWTHQERGK-MFOYZWKCSA-N 404.850 4.165 10 50 HICA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 1220709 VWXKQFWJQNXSGQ-NTEUORMPSA-N 405.237 4.059 10 50 HICA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCCCCC1 13809914 JKUYTRYMXJTPIH-SSZFMOIBSA-N 408.976 4.334 10 50 HICA COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC 13688376 HNLYHZQGWRXLEL-YBEGLDIGSA-N 405.472 4.257 10 50 HICA O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc([N+](=O)[O-])c1 2214265 UXGARLWZFHHZSK-UHFFFAOYSA-N 423.410 4.031 10 50 HICA CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N=C2S1 4859788 XJRGICGOXAEZSS-PNZWKLPWSA-N 409.427 4.130 10 50 HICA CN(C)/C=C1\C(=O)N(c2ccccc2)N=C1c1cc([N+](=O)[O-])c(Cl)cc1Cl 32691030 JDSJRGPUOZOYBG-RAXLEYEMSA-N 405.241 4.098 10 50 HICA Cc1ccc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)c([N+](=O)[O-])c1 2970605 RYVXBGQBFJXKMR-UHFFFAOYSA-N 405.362 4.345 10 50 HICA Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3c[nH]c4ccccc34)C(=O)N=C2S1 4873011 KPIBHJDJKNDMAZ-BHBBQXGTSA-N 415.478 4.174 10 50 HICA CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C 40951471 ABACVOXFUHDKNZ-UHFFFAOYSA-N 402.903 4.346 10 50 HICA in-vitro O=C(O)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 2570781 BMWOHCGTDZADEU-CXUHLZMHSA-N 419.911 4.205 10 50 HICA COc1ccc(O)c(CN2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)c1 55120381 BQQMQQWCQGWDFC-UHFFFAOYSA-N 421.493 4.480 10 50 HICA O=C1c2ccccc2C(=O)C1(Cc1nc(CCc2ccccc2)n[nH]1)c1ccccc1 65398977 ZIJHLZNCCDDPLH-UHFFFAOYSA-N 407.473 4.150 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)O)c2C(=O)OC)C1 239377508 OBBGYUYRMPRQTL-FVQBIDKESA-N 419.543 4.435 10 50 HICA O=C1[C@H]2[C@@H](c3ccccc3O)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1Cl 136627837 GZAAGQUPLAXGDE-PWRODBHTSA-N 420.852 4.097 10 50 HICA Cc1ccccc1Cn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c2ccccc21 1168568 RUHJIVSJYRATTD-HZHRSRAPSA-N 407.473 4.459 10 50 HICA COc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 2305687 LCTPBDXXCPVZCL-QGOAFFKASA-N 412.536 4.234 10 50 HICA CN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)c2ccccc21 16214250 VPVBBAIPNSSCGZ-NXVVXOECSA-N 400.912 4.088 10 50 HICA O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]21 17221863 KIBQVFDITSJBHJ-LZYBPNLTSA-N 412.428 4.306 10 50 HICA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(Cl)cc3)C2=O)cc1 2982467 DTUFCPZBWGMXIZ-CPNJWEJPSA-N 405.841 4.106 10 50 HICA COc1cccc(-c2ccc(O)c(CN3CCN(c4cc(C)ccc4C)CC3)c2)n1 23367846 DVGRADGMKTZFSF-UHFFFAOYSA-N 403.526 4.402 10 50 HICA COc1ccccc1NC(=O)c1ccc2c(c1SC)C(=O)c1ccccc1C2=O 4717935 LXAGMPICVFVBGG-UHFFFAOYSA-N 403.459 4.445 10 50 HICA COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 11852875 GVMXTQUKKVIVKL-FOWTUZBSSA-N 418.565 4.377 10 50 HICA COc1ccccc1/C=C1/C(=O)N(c2ccc(I)cc2)N=C1C 100880663 JIARANWDWCLTTF-LFIBNONCSA-N 418.234 4.106 10 50 HICA COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1O 1011196 HSDHMMSCWWWQPQ-YBEGLDIGSA-N 414.255 4.032 10 50 HICA COc1ccc(-n2c(C)cc(C(=O)N(C)C3CCN(c4ccncc4)CC3)c2C)cc1 2325708926 IQBIVPFWLFUIEB-UHFFFAOYSA-N 418.541 4.239 10 50 HICA CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccccc2S(=O)(=O)O)cc1 4520956 MCKLFIWDQVFMEK-UHFFFAOYSA-N 410.539 4.246 10 50 HICA COc1ccc(OCCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1 2874254 VQFMGDZXBKYNQR-QGOAFFKASA-N 401.509 4.032 10 50 HICA COc1ccc(N2CCN([C@H]3CCCN(Cc4cccc5cccnc45)C3)CC2)cc1 19224607 AMNZMWZWZXZYHY-DEOSSOPVSA-N 416.569 4.030 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@@H](C)C2 229834289 DLXHGBDXLKHMRX-HZSPNIEDSA-N 407.532 4.268 10 50 HICA COc1ccc([C@@H](C[N+](=O)[O-])C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 838864 AREJMZKFEFSELX-OAQYLSRUSA-N 401.418 4.073 10 50 HICA O=C1N=C(O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 13942844 PMVJYDPJBALMLK-ATVHPVEESA-N 403.350 4.362 10 50 HICA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1O 4746501 RFPNGLFEURUOTL-RVDMUPIBSA-N 404.538 4.074 10 50 HICA COc1ccc(OCCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1 2878543 FIRYQHBAQRBXSF-QGOAFFKASA-N 401.509 4.032 10 50 HICA COc1ccc([C@H](C[N+](=O)[O-])C2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 838866 AREJMZKFEFSELX-NRFANRHFSA-N 401.418 4.073 10 50 HICA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1 2789195 MCEVEIYMEKNRME-UHFFFAOYSA-N 422.550 4.085 10 50 HICA O=C1/C(=C\c2ccc3c(c2)OCO3)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 5048658 PNTVSYCQJLSEAC-UNOMPAQXSA-N 413.389 4.158 10 50 HICA COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)o1 1182437 GAFGTZJSEXGPMQ-UHFFFAOYSA-N 415.398 4.109 10 50 HICA O=C(c1ccsc1)c1coc2ccc(O)c(CN3CCN(CC(F)(F)F)CC3)c12 218602085 QLXMVOQXLMJXIB-UHFFFAOYSA-N 424.444 4.111 10 50 HICA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3O)C2=O)cc1 1183459 GSTIXKXFAWRURK-QGOAFFKASA-N 412.536 4.321 10 50 HICA Cc1nn(-c2ccccc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 3848516 MEMAKMVPPFASSB-QURGRASLSA-N 424.438 4.407 10 50 HICA COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)cc(Br)c1O 13914339 DTXYXMSRVHYLJL-NVNXTCNLSA-N 401.260 4.278 10 50 HICA O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 1172779 VTPSCAQQNNAOBD-ATVHPVEESA-N 409.239 4.171 10 50 HICA NC(=S)n1nc(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccc(Cl)c2)c1O 18055982 QHSCARHMNIQUDB-FMQUCBEESA-N 402.823 4.324 10 50 HICA COc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 1217962 HYCCJXOILUAFIK-ATVHPVEESA-N 416.499 4.064 10 50 HICA O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C/c1ccc(O)cc1 13532493 XHFBAPHFMOIBMB-CJLVFECKSA-N 415.518 4.338 10 50 HICA COC(=O)C1=CN(c2ccc(OCc3ccccc3)cc2)c2ccccc2S1(=O)=O 263616307 IAPJOAKGYDHWRG-UHFFFAOYSA-N 421.474 4.205 10 50 HICA COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3cc(Cl)ccc3O)C1)CC2 20515462 SODDJWMBFIJEFX-HXUWFJFHSA-N 416.949 4.086 10 50 HICA CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(C)c1 32670928 HBWNPWVJMMMGAL-PDGQHHTCSA-N 413.520 4.444 10 50 HICA O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1c(Cl)ccc2nonc12 170617629 UTAZNDCTDJDXPZ-UHFFFAOYSA-N 409.858 4.434 10 50 HICA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)sc2c1CCCCC2 239030849 CKHWIUYAVMJLJP-WRFANHODSA-N 417.527 4.045 10 50 HICA O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCOc1ccc2ccccc2c1 1776003406 NNBFVSCKCNADPF-UHFFFAOYSA-N 424.884 4.432 10 50 HICA CCOc1ccccc1N1CCN(Cc2cc(-c3cccc(OC)n3)ccc2O)CC1 55119049 ORGSEBJHEXZWFS-UHFFFAOYSA-N 419.525 4.184 10 50 HICA COc1cc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc(Cl)c1OC 4893723 BFKSNCJWEOBYMC-UHFFFAOYSA-N 414.797 4.352 10 50 HICA COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(Cl)c1O 15010745 HWLLUARFNHGARH-WJDWOHSUSA-N 405.928 4.498 10 50 HICA COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NCc2cccc(OC)c2O)cc1 12713399 GTABYCWLASNSOK-HXUWFJFHSA-N 407.514 4.398 10 50 HICA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3CCCCC3)C2=O)cc1 1181227 AWFNFDVZOYWWIX-JXAWBTAJSA-N 402.585 4.425 10 50 HICA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1C[C@@H]1CCCO1 13590957 IBUSPESPUDCXKV-ADFUCPMPSA-N 416.480 4.235 10 50 HICA Fc1c(F)c(N2CCc3ccccc3C2)c(F)c(F)c1/C=C/CN1CCOCC1 20406236 BAKODLHBPHDSJX-ZZXKWVIFSA-N 406.423 4.151 10 50 HICA CCOc1cccc(CN(C)C[C@@H]2CCCN(CCc3ccc(F)cc3)C2)c1O 55109237 KUZICGMPDPCKQW-FQEVSTJZSA-N 400.538 4.317 10 50 HICA CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)sc2c1CCCC2 1161518 CFNROUXGDAOCPY-CQSZACIVSA-N 405.516 4.008 10 50 HICA biogenic Cc1cc(C2=CCN(Cc3ccc(N(C)C(C)C)cc3O)CC2)cc([N+](=O)[O-])c1N 2325873056 XFDNTVCGYXRVJX-UHFFFAOYSA-N 410.518 4.325 10 50 HICA O=C1/C(=C\c2cccs2)SC(=S)N1CCC(=O)N1CCCc2ccccc21 5094302 ZTJISNLRZXMPAX-GHRIWEEISA-N 414.577 4.319 10 50 HICA COc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1 4755393 MWNWSWDVGSHGAL-CPNJWEJPSA-N 415.536 4.374 10 50 HICA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 13552573 ZBLWNZWJBHBAQV-SFQUDFHCSA-N 408.410 4.236 10 50 HICA Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccc(F)cc32)cc1F 263617819 PVMMBUWXOSZLOR-UHFFFAOYSA-N 418.465 4.053 10 50 HICA Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1Cc1ccccc1 686531 TVVLRQLZIKQIOI-LPYMAVHISA-N 403.457 4.385 10 50 HICA Cc1ccc(S(=O)(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 828900 HAYLIGDJFXRLMU-UHFFFAOYSA-N 421.110 4.026 10 50 HICA CCN1/C(=C/c2ccc3ccccc3[n+]2CCCS(=O)(=O)O)C=Cc2ccccc21 4497814 OQKFYJKNGFQXDL-UHFFFAOYSA-O 421.542 4.299 10 50 HICA biogenic O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1235672 XBRLNZRYWJYNAP-CNYBTUBUSA-N 403.912 4.237 10 50 HICA N=C1/C(=C/c2cccc(Br)c2)C(=O)N=C2SC(c3ccccc3)=NN12 4678854 WLRDONYAMYPERZ-UKMRQWHXSA-N 411.284 4.117 10 50 HICA CN1C(=O)/C(=C2\SC(Nc3cccc(Cl)c3Cl)=NC2=O)c2ccccc21 13810912 YZBPNKMNQFGNMN-SQFISAMPSA-N 404.278 4.422 10 50 HICA Cc1ccc(N/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(F)(F)F)cc1C 91270662 DTBMATZVHBAOBQ-MHWRWJLKSA-N 404.348 4.473 10 50 HICA C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ccc(Oc2cccnc2)cc1 808435993 GURHEFFXKZOVRS-HXUWFJFHSA-N 402.542 4.477 10 50 HICA Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NC2CC2)ccc1N1CCCCC1 1875342157 ANTZJIWWUAMJSC-VWLOTQADSA-N 403.570 4.191 10 50 HICA COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3C)N=C2C)cc(OC)c1OC 678594 WDYVDTVFCAYYPG-OQLLNIDSSA-N 400.862 4.480 10 50 HICA CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)S1 1112350 UBITZWWSTJILOX-MFOYZWKCSA-N 404.850 4.165 10 50 HICA CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)o1 646088 OWLPWLUYXOMLTC-RVDMUPIBSA-N 403.891 4.451 10 50 HICA COC(=O)COc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)cc1 4820636 VZXVOBLGRSMRPJ-MDOVXXIYSA-N 413.857 4.417 10 50 HICA CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2cccnc2)C1=O 5093805 CIQJEWUNCJLTGG-PYEASBQRSA-N 409.536 4.258 10 50 HICA CC(C)OC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](c1ccccc1)C2 5727294 ZSVITABDDKPSCV-HNNXBMFYSA-N 415.511 4.389 10 50 HICA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1cc(C)ccc1C 15800299 MVJYYOHHRWIJEX-UNOMPAQXSA-N 415.536 4.259 10 50 HICA COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2 2740539 AFQXKQJEHYHJAO-MGPQQGTHSA-N 419.543 4.291 10 50 HICA Cc1cc(C(=O)N[C@@H]2CC[C@@H](C(=O)O)CCC2(F)F)c(C)n1-c1ccccc1F 1875353976 MVIYONDZKVUSQL-RDTXWAMCSA-N 408.420 4.242 10 50 HICA COc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 657214 OOTBKODRYZDGRO-LDADJPATSA-N 422.893 4.333 10 50 HICA O=C(O)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 1238452 XWTADLXBXWDXLX-CXUHLZMHSA-N 419.911 4.205 10 50 HICA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])cc1Cl 4313685 GYXHEHGGGVYMFX-UHFFFAOYSA-N 406.781 4.276 10 50 HICA Cc1cc(C(=O)N2CCC([C@H]3C[C@H](N)CCO3)CC2)c(C)n1-c1cccc(Cl)c1 1775988755 GKILAURUOMLLKZ-DENIHFKCSA-N 415.965 4.106 10 50 HICA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nccs1 13802210 NEHPVQRZCWPSRU-XFXZXTDPSA-N 409.945 4.027 10 50 HICA COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 2533177 YYPQFOAHUQEUDR-RGEXLXHISA-N 421.547 4.387 10 50 HICA O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(O)=NC(=S)N1c1cccc(Cl)c1 15659378 AGBCGQCXIFMODP-RNEAAXAUSA-N 413.842 4.476 10 50 HICA COc1ccc(O)c(CN2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)c1 12430505 MKXNYTWAETWFAC-UHFFFAOYSA-N 416.949 4.363 10 50 HICA O=C1C(=CNCc2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1 19606528 UHFIZJBNAMBWRQ-UHFFFAOYSA-N 409.530 4.116 10 50 HICA COC(=O)c1nn(-c2ccccc2)c(=O)c(N=Nc2cccc(C(F)(F)F)c2)c1O 252428273 WEZORHASZDUBMY-UHFFFAOYSA-N 418.331 4.159 10 50 HICA COc1cc(Br)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 1112796 CTSFLACDZUXAJY-NSIKDUERSA-N 416.362 4.324 10 50 HICA COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)Nc3c(C)cccc32)S1 3880370 QVHBLBSAXALJBB-UHFFFAOYSA-N 421.565 4.275 10 50 HICA CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Cl)c1OC 4951666 PZHHPYQUSKLKQF-PXNMLYILSA-N 414.845 4.252 10 50 HICA CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(F)cc1 1013927 OWSRLBLVWJDUJE-GZTJUZNOSA-N 417.483 4.275 10 50 HICA N=C1/C(=C/c2ccc(Br)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 7017997 IUUPJVUFGLRUNA-UKMRQWHXSA-N 411.284 4.117 10 50 HICA CCOC(=O)COc1ccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1 16193654 LHTCMDPHNITWDZ-BOPFTXTBSA-N 416.886 4.364 10 50 HICA CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 26771408 BPLGNEYMBPHVEN-GGQLTLKSSA-N 422.380 4.401 10 50 HICA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 8781424 LAUFQPSPFIPOLW-UNOMPAQXSA-N 416.389 4.149 10 50 HICA CCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O 39708026 ZMWXCFUGRBATKA-LJQANCHMSA-N 400.862 4.227 10 50 HICA O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 1178846 CYMMKJJSFDUJLM-WCSRMQSCSA-N 416.289 4.306 10 50 HICA CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(C)cc1 22276167 XBOWAHWYGCVFFE-GZTJUZNOSA-N 402.235 4.406 10 50 HICA CC(C)(C)n1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 30783544 UPHNEQBWVAOOJT-ZRDIBKRKSA-N 406.269 4.216 10 50 HICA CCOc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC 15822147 ROLLMOYLMMNOKI-NVNXTCNLSA-N 421.280 4.252 10 50 HICA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 1072959 FWIACOYXFNJOPY-SFQUDFHCSA-N 414.339 4.307 10 50 HICA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1OC 12619431 RHKLMTBEZZYLFD-WQRHYEAKSA-N 423.519 4.045 10 50 HICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N(C)C3CCCCC3)ccc12 2843647 ARFOEIRAGNLXBF-UHFFFAOYSA-N 409.482 4.433 10 50 HICA COc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc([N+](=O)[O-])c1O 36152120 ZVBCLPUVOGJESR-NVMNQCDNSA-N 403.394 4.268 10 50 HICA CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3OC)cc2)SC1=S 2994144 LVHNKTVWXRBMTE-RGEXLXHISA-N 415.536 4.374 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C)C2 102188002 ISTWGOJEZSJBAO-HVCLXXKLSA-N 419.543 4.125 10 50 HICA CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 1153662 HYWJCHRKAGTMDA-MPMPPSQCSA-N 412.873 4.492 10 50 HICA CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(O)c(OCC)c1 12411441 MBMWWIDEFTXBEE-UYRXBGFRSA-N 423.465 4.067 10 50 HICA COCc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)ccc1OC 12200968 FDHJZFNMLYGOOZ-CQSZACIVSA-N 401.457 4.465 10 50 HICA CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1 5102363 ZVGYKLFRQRBVPO-FJRYHWHXSA-N 403.511 4.200 10 50 HICA Cn1c(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nnc1C1CCC1 782901412 GYJWFZDIQXUCNC-SFHVURJKSA-N 409.559 4.417 10 50 HICA COc1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c([N+](=O)[O-])c1 4125192 QVEAYYZOQYLBFR-UHFFFAOYSA-N 417.465 4.233 10 50 HICA Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1ccc(N(C)C)cc1 2065126 DZUOJPZRGRPNBM-UHFFFAOYSA-N 401.510 4.228 10 50 HICA COc1ccc([C@@H]2CC(c3cc4c5c(c(=O)oc4c(C)c3O)CCCC5)=NN2)cc1 888088375 SKDYIDNMKVPZAT-FQEVSTJZSA-N 404.466 4.133 10 50 HICA O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1C[C@H]1CCCO1 1087658 ZTLRPNBAVPUXJC-VGSSETLESA-N 416.480 4.235 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCC2 2486548 YEQKWUNUSLOHAO-ZIAGYGMSSA-N 405.516 4.189 10 50 HICA CN(C)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 3878129 UVHUPSUKZVSFQK-JWGURIENSA-N 412.449 4.495 10 50 HICA COc1ccc(OCCCOc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1 15857373 WGDPJJKUEODVSW-XMHGGMMESA-N 415.536 4.374 10 50 HICA CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OC 1164099 MZOSVJUAOCFDTD-WQLSENKSSA-N 402.335 4.078 10 50 HICA COc1cccc(CN(C)C[C@H]2CCCN(CCc3ccc(Cl)cc3)C2)c1O 12715183 CXQHGIZNIXYSES-LJQANCHMSA-N 402.966 4.441 10 50 HICA CCOc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(OCC)c1 15010838 BNIWNYFZVSRDTN-ZDLGFXPLSA-N 400.525 4.280 10 50 HICA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCCCC1 13786066 KGZNZEXLOLGLCN-SSZFMOIBSA-N 408.976 4.334 10 50 HICA C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(N4CCOCC4)cc3)cc2)C1 72441620 ODQVKUHWZHROQU-WOJBJXKFSA-N 407.558 4.251 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCCC2 245227822 QNNSRAVTQRKQDP-MGBSGCIJSA-N 417.527 4.044 10 50 HICA COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4cccc(CO)c4)C3=O)n2)cc1 100505248 MOIFBAFVTBQNST-SMIQVMJNSA-N 421.482 4.186 10 50 HICA CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 4754710 LQWHBOYPKXABON-SOGDLCAJSA-N 402.585 4.377 10 50 HICA COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 1083140 MYKSZEAUGWDCAD-UHFFFAOYSA-N 414.486 4.444 10 50 HICA CCOc1cccc(CN2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1O 12570722 WKVJYMQPCQUPTN-GOSISDBHSA-N 414.521 4.239 10 50 HICA CCN(Cc1cc(OC)ccc1O)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 55090038 BUFVIFVPLNFVLS-FQEVSTJZSA-N 400.538 4.317 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 2103397 WVBDMEVHCIXOOZ-UONOGXRCSA-N 407.532 4.413 10 50 HICA CCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 1180686 VICATTKPIRWZTI-LTGZKZEYSA-N 407.539 4.186 10 50 HICA Cc1ccccc1OCC1=NN2C(=N)/C(=C/C=C/c3ccccc3)C(=O)N=C2S1 4872919 LVNSFMZRYSOESG-CBGIIELDSA-N 402.479 4.249 10 50 HICA Oc1ccc2c(oc3c(-c4cc(Cl)cc5c4OCOC5)c4cn[nH]c4nc32)c1O 218193289 NJXFPLZIKRUSQQ-UHFFFAOYSA-N 409.785 4.455 10 50 HICA O=C1N=C(N2C=CC(=C3C=CNC=C3)C=C2)/C(=C\N=NC(=O)c2ccccc2O)S1 334157346 KNROROZHIHWLFP-ZEZPAJMMSA-N 417.450 4.362 10 50 HICA O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1Cc1ccco1 16266793 RJRLRMRXQKDNQH-YBEGLDIGSA-N 423.406 4.115 10 50 HICA Oc1ccc(Cl)cc1C1=NN[C@H](c2cc(Br)cc3c2OCOC3)C1 13124861 ZRBLHQJXXKLBFX-HNNXBMFYSA-N 409.667 4.113 10 50 HICA biogenic O=C1NC(=S)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 13644223 HNUSJOUJWWUCHW-WUXMJOGZSA-N 411.258 4.106 10 50 HICA CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1OC 15684638 JNJZAJBSNIXVOG-RGEXLXHISA-N 407.466 4.280 10 50 HICA CN(C)c1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1 19320381 IUBZHIIYEKZXKN-UHFFFAOYSA-N 403.526 4.180 10 50 HICA COc1cccc(C(C2C(=O)c3ccccc3C2=O)C2C(=O)c3ccccc3C2=O)c1 100291399 TVPVKYCARBDGOV-UHFFFAOYSA-N 410.425 4.170 10 50 HICA COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 16672035 XDHRBFWYOKHGOR-STZFKDTASA-N 414.461 4.044 10 50 HICA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OC(=O)c2ccccc2Cl)c1 1118780 QEWJKGOYYFGPFM-XMHGGMMESA-N 418.836 4.021 10 50 HICA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 2062089 NDIMZPKGSDRHEG-PXNMLYILSA-N 403.265 4.261 10 50 HICA COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S 2938326 BDNGHNFXVSHBNC-DHDCSXOGSA-N 423.899 4.146 10 50 HICA Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 15799787 BYVLDYYPRFJSGK-YBEGLDIGSA-N 402.928 4.488 10 50 HICA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(SC)cc4)C3)CC2)cc1 19595664 BBMDHIXPEOUTHM-JOCHJYFZSA-N 411.615 4.204 10 50 HICA COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O 1140157 RIRLBQUFEFVYPS-OQLLNIDSSA-N 407.900 4.469 10 50 HICA Cc1cc2c(cc1/C=C1/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C1=O)OCO2 4949658 MNKNDLSINKDNAF-LZYBPNLTSA-N 400.437 4.038 10 50 HICA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCc3ccccc3)C2=O)cc1 13800308 CWPQGSPRKIHADF-SILNSSARSA-N 424.591 4.335 10 50 HICA CCOc1ccc(Cl)cc1/C=C1/C(=N)N2N=C(c3cccs3)SC2=NC1=O 16225253 RBLYKADAKWOLMQ-HBDSZSESSA-N 416.915 4.468 10 50 HICA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1O 19828023 PKNQLGYLXMWDBN-NDENLUEZSA-N 404.445 4.448 10 50 HICA CC1(C)CC(NCc2cc(Br)cc(Br)c2O)CC(C)(C)N1 23549767 ZMLCXPUQRIPZAZ-UHFFFAOYSA-N 420.189 4.316 10 50 HICA COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)N=C1O 16156284 YWOXCUQFWLMLPM-LDADJPATSA-N 417.377 4.263 10 50 HICA CCN1C(=O)/C(=C\c2cccc(/C=C3/SC(=S)N(CC)C3=O)c2)SC1=S 6178588 UTHADLWVKYRNAY-UTLPMFLDSA-N 420.606 4.129 10 50 HICA OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 601293 WFPIAZLQTJBIFN-DVZOWYKESA-N 400.975 4.236 10 50 HICA world CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S 25581217 YDEPQHQTZXHIOY-GZTJUZNOSA-N 422.491 4.279 10 50 HICA CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(=O)Nc2ccccc2)cc1 1064577 PVZZOCIDLWLCFV-XLNRJJMWSA-N 410.477 4.178 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239222071 UHWAOJPKEFZSKI-MGBSGCIJSA-N 417.527 4.045 10 50 HICA CCc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4O)N(c4ccccc4)O[C@H]3C2=O)cc1 230033816 NVMAYDQLCQMJDL-YTFSRNRJSA-N 414.461 4.006 10 50 HICA CCOC(=O)c1ccccc1-c1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1 1389440 BCAOCGDSOGDAQA-UHFFFAOYSA-N 422.915 4.441 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2 3634280 YEQKWUNUSLOHAO-KGLIPLIRSA-N 405.516 4.189 10 50 HICA CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1c(F)cccc1N1CCCC1 1312674972 MYGDKZGTMWNLJT-UHFFFAOYSA-N 410.537 4.368 10 50 HICA O=C(c1ccccc1)c1cc(Br)ccc1NS(=O)(=O)c1ccccc1 2347315 GMYQTVPHSNYMFM-UHFFFAOYSA-N 416.296 4.481 10 50 HICA COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2 4612025 AFQXKQJEHYHJAO-MJBXVCDLSA-N 419.543 4.291 10 50 HICA CC[C@H](C1=NN2C(=N)/C(=C\c3ccc(C(=O)O)cc3)C(=O)N=C2S1)c1ccccc1 9659500 VBHHLJDZVFUWQQ-MCHYZOKESA-N 418.478 4.198 10 50 HICA CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CC[C@H](CC)C2 17091916 QEOLLLPXFLTODB-RRFJBIMHSA-N 419.543 4.435 10 50 HICA Cc1ccccc1N1CCN(CN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 19799320 KOVRQRRBZCHFEK-AQTBWJFISA-N 415.609 4.037 10 50 HICA O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 687003 HZSSTQZPXVEYEQ-XSFVSMFZSA-N 404.853 4.380 10 50 HICA CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1O 15010844 AOLKMPJVAWETMW-WQRHYEAKSA-N 401.509 4.201 10 50 HICA Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1 1183600 KHQDGDMVFGTXLC-QGOAFFKASA-N 412.536 4.321 10 50 HICA CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2OC)SC1=S 2993920 JHBLQVWHQGMBHI-RGEXLXHISA-N 415.536 4.374 10 50 HICA COc1ccc(CCN2CCC(CN(C)Cc3cc(Cl)ccc3O)CC2)cc1 12705024 WPIUPQDCEJEJCK-UHFFFAOYSA-N 402.966 4.441 10 50 HICA COc1ccccc1OCCCOc1cccc(/C=C2/SC(=S)NC2=O)c1 2874229 NIDIEKWNZBXACS-QGOAFFKASA-N 401.509 4.032 10 50 HICA O=C1N=C(N2CCCCC2)S/C1=C1\C(=O)N(Cc2ccc(F)cc2)c2ccccc21 13800428 GGRGXKDYNHKAAM-VXPUYCOJSA-N 421.497 4.199 10 50 HICA Cn1c(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nnc1C1CCC1 782901411 GYJWFZDIQXUCNC-GOSISDBHSA-N 409.559 4.417 10 50 HICA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccccc1Cl 1214492 ZTCTZKDKZNPIJX-VLVOFSMPSA-N 403.663 4.120 10 50 HICA O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/NC(=O)N(c4ccccc4)C3=O)o2)c1 4702382 OAAZJFNGMVIBKG-GZTJUZNOSA-N 408.797 4.396 10 50 HICA CCOc1cc(/C=C2\C(=O)N(CCC3=CCCCC3)C(C)=C2C(=O)OC)ccc1O 14009498 ISQXIBPKHNCPEK-RGEXLXHISA-N 411.498 4.354 10 50 HICA O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)o2)c1 1214194 NSVRNEDPEGIHOW-UHFFFAOYSA-N 411.458 4.492 10 50 HICA COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(O)cc1 2305338 KDUGOAKYEPVHRV-BOPFTXTBSA-N 414.255 4.032 10 50 HICA COc1ccc(NC(=O)c2ccc3c(c2SC)C(=O)c2ccccc2C3=O)cc1 4694264 NMVCZKQJNSEBMV-UHFFFAOYSA-N 403.459 4.445 10 50 HICA COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccccc1C(F)(F)F 100161569 MPBBTKDDWBGJDZ-CPNJWEJPSA-N 417.387 4.357 10 50 HICA CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)O)c2C(=O)OC)C1 239159704 MQOFZXYEVFMXSR-TYJVHBSKSA-N 419.543 4.125 10 50 HICA O=C1N=C(N2C=CC(=C3C=CNC=C3)C=C2)/C(=C/N=NC(=O)c2ccccc2O)S1 263591751 KNROROZHIHWLFP-IRNIWSTMSA-N 417.450 4.362 10 50 HICA O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nccs1 13800675 VYPITJVGUJOBRH-RAXLEYEMSA-N 423.972 4.417 10 50 HICA O=C1c2ccccc2C(=O)c2c1ccc(C(=O)Nc1cccc(Cl)c1)c2[N+](=O)[O-] 4573365 XRMCJMDSRMGTTH-UHFFFAOYSA-N 406.781 4.276 10 50 HICA O=C1/C(=C/c2ccc(F)cc2)C(O)=NC(=S)N1c1cccc(Br)c1 4738979 JIJUXJMTEZVDEU-RIYZIHGNSA-N 405.248 4.260 10 50 HICA Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)NC2=S)cc1 2980760 RYUDHCXEPBULBB-CPNJWEJPSA-N 421.909 4.270 10 50 HICA CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(C)on3)C2=O)cc1 13773512 KFPSWZOLMPYHIP-VBKFSLOCSA-N 415.540 4.166 10 50 HICA O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C/c1ccc(Br)cc1 20109969 YTWSHLCYJNYBBJ-RIYZIHGNSA-N 403.257 4.230 10 50 HICA COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OC(C)=O 1192928 CZDZUJDVWYMQEC-GZTJUZNOSA-N 415.492 4.035 10 50 HICA O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(Cc2ccccc2O)C1 11873554 RMOBAGYFOMECMG-IBGZPJMESA-N 403.482 4.430 10 50 HICA NC(=O)[C@H]1CCCN(c2ccc(CNc3nc(-c4ccccc4F)cs3)cc2)C1 814827995 JGWWNULCXIGUNX-INIZCTEOSA-N 410.518 4.263 10 50 HICA CC[C@H](C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 245253915 RYRLLQGGPVZURO-UCQBOQSVSA-N 417.527 4.044 10 50 HICA CSCCCN1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=S 814267124 QTVIAEBROZXOCN-WQLSENKSSA-N 404.376 4.109 10 50 HICA Cc1cc(O)c(CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1C(C)C 786105333 GSAQGONKKZQJTL-UHFFFAOYSA-N 414.497 4.407 10 50 HICA CCc1cccc2c(/C=C3/C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c[nH]c12 16266211 ZVGXVGFVWWWHKN-YVLHZVERSA-N 409.898 4.215 10 50 HICA Cc1cc(C(=O)NS(=O)(=O)c2cccc3ccccc23)c(C)n1-c1ccccc1 1875344697 JEVNVWIANNFAAH-UHFFFAOYSA-N 404.491 4.366 10 50 HICA CCCCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239331318 KMBYEPFHPAIWIV-MGBSGCIJSA-N 419.543 4.269 10 50 HICA CCN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 1002912 LIQDNVSPDYKXGV-NXVVXOECSA-N 400.912 4.483 10 50 HICA COc1cccc(OCCCOc2ccccc2/C=C2/SC(=S)N(C)C2=O)c1 15857292 BOKRUWVIVIWMNI-CPNJWEJPSA-N 415.536 4.374 10 50 HICA COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1Br 1423286 XETHLGGDMFRXEJ-ATVHPVEESA-N 412.283 4.322 10 50 HICA Cc1ccc(N2NC(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1C 16266413 HWYLXZZIGXZJPY-UYRXBGFRSA-N 418.474 4.046 10 50 HICA C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(N4CCOCC4)cc3)cc2)C1 225243481 ODQVKUHWZHROQU-PMACEKPBSA-N 407.558 4.251 10 50 HICA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc(C)cs3)C2=O)cc1 1826717 TXRUORRSORJQLG-GDNBJRDFSA-N 417.581 4.380 10 50 HICA COCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)SC1=S 2968053 DGJKGBDPMZTEGY-PDGQHHTCSA-N 403.500 4.252 10 50 HICA Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(F)c1 1186323 HDOGGSRJMSCRSJ-WOJGMQOQSA-N 421.403 4.039 10 50 HICA COCCN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)SC1=S 2980627 ISKBZLVSEJINHS-PDGQHHTCSA-N 403.500 4.252 10 50 HICA COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2cc(OC)ccc2O)C3)c1 14991792 QRBOEIYCVSIEAU-UHFFFAOYSA-N 421.493 4.480 10 50 HICA COc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1Br 1154901 UMDZLXDNOPGPSJ-NVNXTCNLSA-N 421.341 4.254 10 50 HICA CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCC2 3864250 XUTXGMTUPLPAHK-KBPBESRZSA-N 405.516 4.188 10 50 HICA O=C1Nc2ccc(Br)cc2/C1=C/c1cc(O)c(O)c(Br)c1 2104376 GPKLWRHHVIBYEO-KMKOMSMNSA-N 411.049 4.116 10 50 HICA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1 16248118 VPJIXAKAAZZLNX-BOPFTXTBSA-N 424.865 4.082 10 50 HICA Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 1129800 URPRCICJWULQEZ-UKTHLTGXSA-N 414.248 4.152 10 50 HICA O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C/c1ccccc1O 13536490 UGMLYOJOWWHJOP-CJLVFECKSA-N 415.518 4.338 10 50 HICA Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3Cc3ccccc3O)cc2)n1 19148121 AUUWLCTZOLMQKO-QFIPXVFZSA-N 404.514 4.188 10 50 HICA Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 4172185 NLQGZVKXLTWART-DPLHUUCSSA-N 424.566 4.151 10 50 HICA Cc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 13483053 RALQROGOXLZPPK-AQTBWJFISA-N 421.547 4.199 10 50 HICA COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 1175135 HRUKTJPFLQEPOP-WQRHYEAKSA-N 401.509 4.114 10 50 HICA O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\C=C\c1ccccc1 22239200 KRISLZBPZQUQSR-QSJINSDNSA-N 403.290 4.381 10 50 HICA CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CNC1=NCCC1=S 3204936 BDBFHOMBQNJRJS-DEOSSOPVSA-N 405.567 4.270 10 50 HICA CCOc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 11917769 GBEYTGDQFWMESC-FOWTUZBSSA-N 418.565 4.377 10 50 HICA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 677797 CYJMCQSXXUBGRZ-ATVHPVEESA-N 409.239 4.171 10 50 HICA CCN(CC)c1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 686970 HZKXXUCSIYAZRI-LFIBNONCSA-N 404.297 4.301 10 50 HICA O=C(c1cccs1)N1CCC[C@@H](NC2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506403211 WTJLBLADLPWGMZ-OAQYLSRUSA-N 409.599 4.100 10 50 HICA COc1cc(C)c(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1C(C)C 16182808 KHSJRJNOAQEFAP-WQRHYEAKSA-N 412.486 4.097 10 50 HICA C[C@H]1CCCCN1C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCCC3)cc2)C1 2325729821 HOQKJGAJTFITQQ-GMAHTHKFSA-N 412.622 4.473 10 50 HICA COc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)cc1 628594 PFLLISOCJGXLTF-UHFFFAOYSA-N 419.510 4.053 10 50 HICA Cc1c([C@H](C)NC2CCN(c3ccc4c(c3)OCO4)CC2)cnn1-c1ccccc1 11817131 KBYIHYHVMMUCBQ-KRWDZBQOSA-N 404.514 4.229 10 50 HICA