smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(OC)c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 917817 NOIXPHZDDVUPGV-UHFFFAOYSA-N 350.418 4.364 10 50 FICA CC(C)C(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 2872986 PHIORMIWMSGPNH-FQEVSTJZSA-N 364.401 4.315 10 50 FICA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4132239 AERIGTYGZCPSDB-GJYPPUQNSA-N 350.374 4.208 10 50 FICA COc1cccc(-c2ccc(O)c(CNCCc3c[nH]c4ccccc34)c2)n1 12022150 GXLGEZNKNLJLHQ-UHFFFAOYSA-N 373.456 4.276 10 50 FICA COc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCCCC2)cc1 62225568 MESNGTIEGVOQQM-UHFFFAOYSA-N 358.869 4.269 10 50 FICA COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Cl 15011041 GPRALSRJHMHESZ-ZSOIEALJSA-N 365.863 4.343 10 50 FICA O=C(/C=C/c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 3997270 QIMVBWBRXWQRRF-BUHFOSPRSA-N 353.377 4.114 10 50 FICA biogenic CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1C 100502266 OXQGKUBXWSZDRY-YBEGLDIGSA-N 370.796 4.275 10 50 FICA CCOc1ccc2ccccc2c1C=C1C(=O)OC2(CCCCC2)OC1=O 638608 QCXRHLVXHLPMOO-UHFFFAOYSA-N 366.413 4.382 10 50 FICA O=C1/C(=C/c2ccc([N+](=O)[O-])o2)SC(=S)N1c1cccc(Cl)c1 1160470 UNPGLROXALVOSK-XFFZJAGNSA-N 366.807 4.247 10 50 FICA CCOC(=O)[C@@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)ccc1O 12078920 DKDBRQAEHVSRBV-IBGZPJMESA-N 357.425 4.116 10 50 FICA CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccn2)cc1 4859633 CQDCSQWRBHFWQW-NTCAYCPXSA-N 368.440 4.017 10 50 FICA CCOc1cccc(CN(C)CC2CCN(Cc3ccc(C)o3)CC2)c1O 12595032 FNHQVAYYYYBQSE-UHFFFAOYSA-N 372.509 4.036 10 50 FICA CC(C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12 855801 XDKCWAFOHBGELE-QFIPXVFZSA-N 362.473 4.473 10 50 FICA COc1cccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)c1OC(C)=O 15686506 JBSNGRFWGGHPOE-GDNBJRDFSA-N 370.788 4.255 10 50 FICA CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cccc3ccccc23)C1=O 4701022 VDQFVDZAWUBEOF-RGEXLXHISA-N 370.408 4.069 10 50 FICA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 217399643 UTQBPXQPYZFHBY-GPMSIDNRSA-N 350.374 4.208 10 50 FICA Cc1oc2c(C)c(O)c(CN(C)C)cc2c(=O)c1Oc1ccccc1F 624127 GYMRJVYZMQNMGS-UHFFFAOYSA-N 357.381 4.108 10 50 FICA COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 4860606 ZAFXPMHZVIELJW-XNTDXEJSSA-N 372.427 4.009 10 50 FICA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1cccs1 101152989 IQNGYUVJXSJMRW-WJDWOHSUSA-N 368.487 4.144 10 50 FICA CN(C)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 1134563 YNNVFVAXQUHLOV-UHFFFAOYSA-N 352.409 4.367 10 50 FICA COc1ccc([N+](=O)[O-])cc1N/C=C1\C(=S)N(c2ccccc2)N=C1C 13590188 FDRXODQFYSDOMG-PTNGSMBKSA-N 368.418 4.123 10 50 FICA CCOc1ccc2nc3cc(/N=N/c4ccc(N)nc4N)ccc3c(N)c2c1 3954600 QNWGRUNKGVWOTA-CYYJNZCTSA-N 373.420 4.344 10 50 FICA in-vitro CCN1C(=O)/C(=C/c2cccc(OC(F)(F)C(F)F)c2)SC1=S 1067956 XOEWMXAMNQTIPZ-YFHOEESVSA-N 365.373 4.144 10 50 FICA CN(C)c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 13712889 YALIYZGRCQMEGF-JXAWBTAJSA-N 368.527 4.197 10 50 FICA Cc1nn2c(NCc3ccc(O)cc3O)cc(-c3ccccc3)nc2c1C 72426312 XEBHPEYSCAQURR-UHFFFAOYSA-N 360.417 4.036 10 50 FICA O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1Cl 170593214 JTDUEAWXOIAUSW-UHFFFAOYSA-N 368.842 4.403 10 50 FICA COc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1089942 ZWLXYINPVWZLHR-GDNBJRDFSA-N 372.427 4.009 10 50 FICA O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 4539491 HMYBOJRMGBRYMD-DEYYWGMASA-N 353.805 4.109 10 50 FICA CN(C)c1ccc(/C=C/CN2CCN(C/C=C/c3ccccc3)CC2)cc1 19633581 PRVYFVREOWCGND-JMQWPVDRSA-N 361.533 4.097 10 50 FICA CCC(=O)C[C@@](C)(O)Nc1cc(-c2sccc2-n2c(C)ccc2C)n[nH]1 5625324 JYDKYNHSPCDZIP-LJQANCHMSA-N 372.494 4.035 10 50 FICA COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1O 15012175 GSFUSEQNLMMJLZ-MHWRWJLKSA-N 357.456 4.115 10 50 FICA O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2cccc(Cl)c2)C1=O 2994336 CDIYOTJSXPGAEY-YPKPFQOOSA-N 372.858 4.068 10 50 FICA COc1ccc([C@@H](CC(=O)C(C)C)C2C(=O)c3ccccc3C2=O)cc1 100366601 HKSWDAORORWPGM-GOSISDBHSA-N 350.414 4.089 10 50 FICA CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1 1186998 XDYDHJYULJWBKP-UHFFFAOYSA-N 363.413 4.338 10 50 FICA O=C(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 1699466 NYCBYBDDECLFPE-UHFFFAOYSA-N 368.024 4.277 10 50 FICA in-vivo CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1ccc(C)s1 4117663 ZOKFYMAIXSRMIX-WQRHYEAKSA-N 368.458 4.428 10 50 FICA CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1Br 102268827 CEZQOOQUIGTPAI-AMGRQBIBSA-N 357.211 4.324 10 50 FICA CCN1C(=O)/C(=C/c2ccc(COc3ccccc3C)o2)SC1=S 6950943 CEUPAUPEFQKXOA-YBEGLDIGSA-N 359.472 4.388 10 50 FICA COc1ccc(C)cc1NC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 1777501 GVRKPVJMHCFJLD-UHFFFAOYSA-N 373.408 4.322 10 50 FICA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@H]1c1ccc(C)cc1 8465861 GFURRXDWVJZLMS-PMACEKPBSA-N 359.425 4.231 10 50 FICA COc1ccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)c(OC)c1 991823 ZUDQKIBNNQZRTL-UHFFFAOYSA-N 350.418 4.364 10 50 FICA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1C[C@H]1CCCO1 1103195 KRSNVALIOODAPV-XXLSNGBASA-N 374.314 4.374 10 50 FICA COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cc(Cl)cc(Cl)c1O 19874964 LJMWUTCOZPWNMC-INIZCTEOSA-N 363.244 4.424 10 50 FICA CCN(CC)c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 14009724 CATSDOHTYHMHHF-LDADJPATSA-N 369.852 4.284 10 50 FICA COc1ccc(N2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 6698763 QHIWKAYQGATSSJ-UHFFFAOYSA-N 359.857 4.011 10 50 FICA C[C@H]1CCCN(c2ccc(CNC(=O)Nc3cccnc3Cl)cc2)C1 95499428 VXPXFEUYKLQMIO-AWEZNQCLSA-N 358.873 4.293 10 50 FICA Oc1c(CN2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 54104453 KYJSUKDFCORLNT-UHFFFAOYSA-N 371.843 4.055 10 50 FICA O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc2ccccc2c1 643532 PLFRGRDSCRIAOH-UHFFFAOYSA-N 352.459 4.241 10 50 FICA COc1cccc(-n2c(C)cc(C(=O)CSc3nnc(C)s3)c2C)c1 8990514 CCAPPZFTXHKZJZ-UHFFFAOYSA-N 373.503 4.238 10 50 FICA CCOC(=O)c1ccc2c(c1)nc(/C(Cl)=C/c1cncs1)n2CC 253426197 YOQIMHCJHIKAPU-JYRVWZFOSA-N 361.854 4.426 10 50 FICA O=C(O)c1cc(N/N=N/c2ccc(Br)cc2)cc([N+](=O)[O-])c1 4772873 PXULFLOFICHVBD-UHFFFAOYSA-N 365.143 4.166 10 50 FICA Oc1ccccc1CN1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 53201292 IGCYDMHHQHPMEJ-JOCHJYFZSA-N 354.469 4.019 10 50 FICA COc1ccc(N2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 1214079 WRZWQCUPQGNPIG-WJDWOHSUSA-N 357.456 4.110 10 50 FICA CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 4688001 WEDQKPMJLWAURK-GZTJUZNOSA-N 356.447 4.159 10 50 FICA Cc1ccccc1N1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 3003628 BNDVWXLBPCGYDU-GDNBJRDFSA-N 355.440 4.099 10 50 FICA COc1cccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c1O 12577727 WMOHGZJBKWVWKX-HNNXBMFYSA-N 373.880 4.458 10 50 FICA O=C(O)CCCCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1916899 VFUOTSDKPPWRLE-RAXLEYEMSA-N 369.895 4.186 10 50 FICA CCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 855787 NDJSWWKHGHJKBU-FQEVSTJZSA-N 350.374 4.069 10 50 FICA Cc1ccc(N2C(=O)/C(=C/c3ccccc3C(=O)O)SC2=S)c(C)c1 2941440 FWYBACCPCZUXAM-YBEGLDIGSA-N 369.467 4.407 10 50 FICA Oc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1Cl 218275226 RKXZUAACMBGKBZ-UHFFFAOYSA-N 367.748 4.295 10 50 FICA CN(C)Cc1cc(CN2CCC[C@@H](CCc3ccc(F)cc3)C2)ccc1O 71759002 CCCNGGILGXDTGM-IBGZPJMESA-N 370.512 4.438 10 50 FICA O=C1N=C(O)/C(=C/c2c[nH]c3ccccc23)C(=O)N1C1CCCCCC1 1142778 BJANUSJWWJLWJX-WJDWOHSUSA-N 351.406 4.193 10 50 FICA CCCCC1(C)OC(=O)C(=Cc2c(OC)ccc3ccccc23)C(=O)O1 2970141 WESVCEHFMBPXHS-UHFFFAOYSA-N 354.402 4.238 10 50 FICA Cc1oc2ccc(O)c(CN3CCCC3)c2c1C(=O)NC1CCCCC1 6811151 WHQVYPPPTVSKSI-UHFFFAOYSA-N 356.466 4.105 10 50 FICA Oc1ccccc1CN1CCC[C@@H](c2[nH]ncc2-c2ccccc2F)C1 43056889 HXVJMLVHIOLCSX-MRXNPFEDSA-N 351.425 4.301 10 50 FICA CC(C)c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1 2978214 ZLKXDAPKRAMQLU-SABKFZPKSA-N 374.469 4.477 10 50 FICA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1 299778706 NWSUNFJCHZFKAM-FQEVSTJZSA-N 366.505 4.140 10 50 FICA CCN1C(=O)/C(=C/C=C2/Oc3ccc4ccccc4c3N2C)SC1=S 2813086 LCOMUPLEZQZBAL-MBKDJOQRSA-N 368.483 4.274 10 50 FICA O=C(Cc1ccc(Cl)cc1F)NCc1ccc(N2CCCCC2)cc1 71375661 GHMPVUHHGYRWAZ-UHFFFAOYSA-N 360.860 4.328 10 50 FICA CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1 15009186 UPXDBTHUZSSKNO-GZTJUZNOSA-N 368.483 4.359 10 50 FICA CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1 1187945 VZGDYRMRTLRLJB-LFIBNONCSA-N 358.463 4.298 10 50 FICA Cc1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(O)=NC2=S)c1 34234578 WISGVMVZTXSKOA-YBEGLDIGSA-N 361.426 4.148 10 50 FICA Oc1ccc2c(oc3c(-c4cc(F)c(F)c(F)c4)c4cn[nH]c4nc32)c1O 218127001 FTMDLEOIMHTMHP-UHFFFAOYSA-N 371.274 4.353 10 50 FICA COc1ccc(OC)c(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1 16312081 PHAYCNHIPWEFOO-XDHOZWIPSA-N 350.418 4.127 10 50 FICA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)C(C)(C)C)ccc12 1165153 JSFKWIISVRJWFH-UHFFFAOYSA-N 354.402 4.257 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)nn(-c2ccccc2C)c1O 5447743 PRDWOOKTOZLGDD-QGOAFFKASA-N 372.428 4.001 10 50 FICA Cc1ccc([C@@H](C)NCCc2nc(-c3ccncc3)cs2)c(O)c1C 756730737 SCQQNBJTXNLLDO-OAHLLOKOSA-N 353.491 4.421 10 50 FICA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(F)c(Oc2ccccc2)c1 683607 CHRWDRNRRWEKGF-QGOAFFKASA-N 374.371 4.079 10 50 FICA O=C(C[C@H](c1ccccc1)c1ccccc1F)NCc1ccc(O)cc1O 95528417 AOBSZSBOHBQZBP-LJQANCHMSA-N 365.404 4.075 10 50 FICA COc1ccc(N2CCC(N[C@@H](CC(C)C)c3cccnc3)CC2)cc1 952982955 STUQHAURULLOHE-QFIPXVFZSA-N 353.510 4.436 10 50 FICA Cc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)cc1 4820604 BODNSNQRNAWXOQ-UHFFFAOYSA-N 368.458 4.181 10 50 FICA CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])c(C)c3)o2)SC1=S 1206537 HEOKLUWCRHQWET-DHDCSXOGSA-N 374.443 4.384 10 50 FICA CCC(=O)C[C@](C)(O)Nc1cc(-c2sccc2-n2c(C)ccc2C)n[nH]1 5625323 JYDKYNHSPCDZIP-IBGZPJMESA-N 372.494 4.035 10 50 FICA COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccccc1C 8571105 LANDWBJLKXOPAN-LICLKQGHSA-N 371.483 4.071 10 50 FICA Cc1ccc(N2C(=S)NC(C)(C)C[C@]2(C)c2ccc(O)cc2O)cc1 3009593 AYPVLYMKGYBEOF-HXUWFJFHSA-N 356.491 4.185 10 50 FICA COc1ccc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc1O 4755424 LYXBXOVVHUQRIY-ODLFYWEKSA-N 358.397 4.360 10 50 FICA CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S 5018912 ONRGDYOMPWOQTJ-NTEUORMPSA-N 360.416 4.076 10 50 FICA O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCc1ccc(O)cc1O 95528418 AOBSZSBOHBQZBP-IBGZPJMESA-N 365.404 4.075 10 50 FICA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Cl)cc1Cl 1190406 KKPXZJRAOCOKKG-AUWJEWJLSA-N 368.260 4.322 10 50 FICA COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)c(Cl)cc1O 15015705 BDHKEZBFQAEODU-NVNXTCNLSA-N 356.809 4.169 10 50 FICA COc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(O)c1 14981199 FUJKEODIDCOWMC-GFCCVEGCSA-N 373.403 4.024 10 50 FICA COc1ccc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 752239 KCAPSPHDFIGAOZ-UHFFFAOYSA-N 350.384 4.036 10 50 FICA O=C1C(=Cc2ccco2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 753106 XUNOIULQPDZEDV-UHFFFAOYSA-N 374.421 4.028 10 50 FICA Cc1ccc(CN2C(=O)/C(=C/c3cc(C)n(C)c3C)SC2=S)cc1 1125847 UQOACTFZHPLSET-YVLHZVERSA-N 356.516 4.352 10 50 FICA CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 920205 IZDCFLPVKNWZJH-UHFFFAOYSA-N 362.429 4.428 10 50 FICA COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br 3864347 UGDBBQKBNABSRQ-XNTDXEJSSA-N 371.234 4.264 10 50 FICA CCOC(=O)c1c2c(n(-c3ccc(C)cc3)c1C)-c1ccccc1C(=O)C2=O 3124677 FTUUZBOMVIMLAB-UHFFFAOYSA-N 373.408 4.317 10 50 FICA COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1O 15012187 OPPADNHQKPACPN-LICLKQGHSA-N 371.483 4.423 10 50 FICA O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCC1CCCC1 1137540 KQTBSCYVYKJUHY-YBEGLDIGSA-N 361.488 4.197 10 50 FICA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4132244 AERIGTYGZCPSDB-MDZRGWNJSA-N 350.374 4.208 10 50 FICA COCc1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 828964 KCBQGYHRFIVWSK-UHFFFAOYSA-N 357.409 4.220 10 50 FICA CCC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 2873341 VBQKUPPYJZSZNJ-FQEVSTJZSA-N 350.374 4.069 10 50 FICA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCc1ccc(F)cc1 100113846 ZVNUSTXOXXMQFG-QGOAFFKASA-N 355.388 4.141 10 50 FICA CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(F)cc1 13810465 PRRLRYFTQOPLQS-UYRXBGFRSA-N 365.404 4.401 10 50 FICA O=C(c1ccccc1)c1ccccc1NC(=S)NCCc1ccccc1 2809096 NEEHBUNSGZVDRU-UHFFFAOYSA-N 360.482 4.447 10 50 FICA O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1C[C@H]1CCCO1 13756035 KRSNVALIOODAPV-PZHUPROXSA-N 374.314 4.374 10 50 FICA Cc1cccc(NC2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)c1C 15746392 KSJOYRGWVOCRNO-LDADJPATSA-N 351.475 4.452 10 50 FICA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc([N+](=O)[O-])cc1 2915889 NRERHGGZMIECHA-LCYFTJDESA-N 372.174 4.339 10 50 FICA COc1ccc(OC)c(-n2c(CCC(=O)O)ccc2-c2ccccc2)c1 4140739 BQKWQDBMBIQCJD-UHFFFAOYSA-N 351.402 4.179 10 50 FICA biogenic CCCC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(N(C)C)cc1 4757758 DOPIJSYTXMDEAD-UHFFFAOYSA-N 363.465 4.064 10 50 FICA COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 15837725 JTXDIDQZNSBYDR-MDZRGWNJSA-N 350.374 4.208 10 50 FICA Cc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccc(C(C)C)cc1 1175127 WURBBPCVWCWEIH-WOJGMQOQSA-N 365.433 4.149 10 50 FICA C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 65278693 KVJDCLQQRYMWFS-AWEZNQCLSA-N 359.857 4.059 10 50 FICA CCc1c[nH]nc1C1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 67722935 AZWWBAPKIDRUIH-UHFFFAOYSA-N 354.281 4.364 10 50 FICA CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)c2ccccc12 634633 ZQPKHBCESQNYRD-UHFFFAOYSA-N 366.413 4.382 10 50 FICA COc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1 1090107 IIOKSQSKRJPHAH-LFIBNONCSA-N 357.456 4.110 10 50 FICA COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1 15008392 RFWGFJJKKFUXIO-LFIBNONCSA-N 369.467 4.187 10 50 FICA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc2ccccc2o1 5704921 PJYCEOAMPFTVEI-UHFFFAOYSA-N 367.360 4.461 10 50 FICA Cc1sc(C(=O)N(Cc2ccc(N(C)C)cc2)CC2CC2)cc1[N+](=O)[O-] 2325720747 OATUDTANVCZVOF-UHFFFAOYSA-N 373.478 4.083 10 50 FICA Cc1c(N[C@@H](C)c2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C 1306470 MLDSDLUHNPQCFG-LBPRGKRZSA-N 357.841 4.017 10 50 FICA O=C1/C(=C\C=C\c2ccco2)C(O)=NC(=S)N1c1ccc(Cl)cc1 17145435 KZWHYDFZLWFHNB-NQDFZQDQSA-N 358.806 4.161 10 50 FICA COc1ccccc1-c1coc2c(CN3CCCCC3)c(O)ccc2c1=O 19790381 BGJFCGHBDZWWLH-UHFFFAOYSA-N 365.429 4.160 10 50 FICA biogenic COc1ccc(OC)c(-c2ccc(O)c(CN(C)[C@H](C)c3ccon3)c2)c1 15003863 AEESSBXNYSEXJI-CQSZACIVSA-N 368.433 4.257 10 50 FICA O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 10113307 HFEOJXHNMGPHCF-UHFFFAOYSA-N 372.468 4.120 10 50 FICA c1ccc(-c2cnc(SCc3nccs3)n2C[C@H]2CCCO2)cc1 162252125 KDWOGAMKDOMXQC-OAHLLOKOSA-N 357.504 4.478 10 50 FICA Cc1cccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)c1 1086531 OYSLYNBPTRVEIB-ATVHPVEESA-N 354.500 4.467 10 50 FICA COc1ccc(CN2C(=O)/C(=C/C=C/c3ccco3)SC2=S)cc1 1157613 NLTNPASGEGEJRX-HYLYESJESA-N 357.456 4.246 10 50 FICA CCOc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1207408 RHXKCUQUJAELAM-UHFFFAOYSA-N 357.409 4.472 10 50 FICA COc1ccc(C2=C/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C(=O)O2)cc1 5073152 DSFUDLDMBUYULR-MDWZMJQESA-N 357.749 4.238 10 50 FICA Cc1cccc(Oc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2)c1 990695 KGDIXWVTYCXWGV-UHFFFAOYSA-N 373.364 4.286 10 50 FICA Cc1ccc(-n2c(/C=C/c3ccc(O)c(O)c3)nc3ccccc3c2=O)cc1 4843874 RTNBTVJLWWCHNK-UKTHLTGXSA-N 370.408 4.276 10 50 FICA CCOc1ccc(NCc2cc(Br)cc(OC)c2O)cc1 629147 KXGFDHDFERKJFY-UHFFFAOYSA-N 352.228 4.174 10 50 FICA O=C(c1ccco1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O 239351923 AANYBTAILFNIJI-QGZVFWFLSA-N 350.349 4.116 10 50 FICA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 15240531 LOHBBPBNYCISPQ-GPMSIDNRSA-N 363.417 4.123 10 50 FICA COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3O)C[C@@H]21 169681531 IHRLUCBMROBEDS-PGRDOPGGSA-N 373.412 4.038 10 50 FICA COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 1216520 JQNBFZSCJHETEU-GZTJUZNOSA-N 371.483 4.105 10 50 FICA COc1cccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c1O 12577722 WMOHGZJBKWVWKX-OAHLLOKOSA-N 373.880 4.458 10 50 FICA O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 18043503 LDQLSUHARPCHJF-UHFFFAOYSA-N 371.845 4.372 10 50 FICA CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1C[C@@H]1CCCO1 6626511 ZVMSOAPMDAUXKZ-SFHVURJKSA-N 353.511 4.411 10 50 FICA CN(C)CCN(Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1O 22044975 JEIUBYBENRHCFQ-UHFFFAOYSA-N 353.293 4.263 10 50 FICA CC(C)(C)OC(=O)N1CCN([C@H](c2ccccc2)c2ccccc2O)CC1 25759800 WFSYGBQBDFJAIJ-HXUWFJFHSA-N 368.477 4.034 10 50 FICA CC(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 1197179 HSKCIELZJRQAQU-QGZVFWFLSA-N 354.837 4.455 10 50 FICA biogenic CCOC(=O)c1c(NCc2ccc(N(C)C)cc2)sc2c1CCCC2 756534 UIEPPOHANDTPKX-UHFFFAOYSA-N 358.507 4.482 10 50 FICA Cc1cc(CN2CCC[C@H](O)C2)c(C)n1-c1cccc(C(F)(F)F)c1 756611 UEXINVLJRDJJEU-SFHVURJKSA-N 352.400 4.070 10 50 FICA Cc1cccc(N2C(=O)/C(=C/c3ccccc3C(=O)O)SC2=S)c1C 1806795 JOOTWESRMOGKBD-YBEGLDIGSA-N 369.467 4.407 10 50 FICA Cc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)cc1 3000715 YLLKOPCMUDRCDQ-GDNBJRDFSA-N 355.440 4.099 10 50 FICA Cc1ccc(CN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 1165128 WMRKHAHXWZEIQW-YBEGLDIGSA-N 370.455 4.305 10 50 FICA CN1CCN(c2ccc(/C=C(\Cl)c3nc4cccc(F)c4[nH]3)cc2)CC1 2325721560 HKSOWDWBEBDNAW-SSZFMOIBSA-N 370.859 4.191 10 50 FICA Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(S)=NC3=O)cc2c1 1297842 JTMOEFAUGKYBTB-WJDWOHSUSA-N 369.515 4.434 10 50 FICA CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)O1 1216979 UBIQHMHUQUBOQO-UHFFFAOYSA-N 367.184 4.473 10 50 FICA c1ccc(-c2ncc3c(n2)CCC[C@H]3NCc2ccc3c(c2)CCO3)cc1 12209858 QWWLJCBVPNPQEQ-HXUWFJFHSA-N 357.457 4.246 10 50 FICA OCCNCCNc1ccc(/N=N/c2ccc(Cl)nc2)c2ccccc12 96026799 HNCHGXRPPIYGBS-OCOZRVBESA-N 369.856 4.297 10 50 FICA CCOc1cccc(CN2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1O 12055825 YMMIGJNZEMKWNE-INIZCTEOSA-N 362.420 4.146 10 50 FICA CN(C)c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 55543876 LEBYIRXAXHLNAZ-UHFFFAOYSA-N 363.427 4.094 10 50 FICA CCOC(=O)[C@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 622077 UDMVXRUFKPOANX-LBPRGKRZSA-N 372.804 4.444 10 50 FICA O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)cc1 1203242 GIBJJSWLOXNJOY-ZROIWOOFSA-N 360.391 4.140 10 50 FICA Cc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C(=O)O)CC2)c(C)n1-c1ccccc1 1875388403 ABAWCQPWQWTDPD-MSOLQXFVSA-N 368.477 4.200 10 50 FICA O=C1c2ccccc2C(=O)c2c1c(-c1ccccc1)nn2-c1ccccc1 751911 CKTMLUMQXKCILA-UHFFFAOYSA-N 350.377 4.315 10 50 FICA CC(C)(C)OC(=O)N1CCN([C@H](c2cccs2)c2ccccc2O)CC1 25760493 OTBBWUHOHOVTFB-SFHVURJKSA-N 374.506 4.096 10 50 FICA CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S 4844749 GLQVAGYADXSFJH-OQLLNIDSSA-N 374.443 4.384 10 50 FICA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NNc1ccc(C)cc1C 220982677 DPYBWXLSMQZBKA-BOPFTXTBSA-N 354.841 4.180 10 50 FICA O=C1/C(=C/c2ccccc2O)SC(=S)N1CCCc1ccccc1 1146609 UQMJTWUPSMTCLQ-LGMDPLHJSA-N 355.484 4.226 10 50 FICA CCOC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 842815 SESYZMSSAQAEAJ-UHFFFAOYSA-N 358.777 4.055 10 50 FICA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccccc1 101152982 GEEDMHANWFJINU-AQTBWJFISA-N 362.458 4.083 10 50 FICA Cc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)cc1C 1811619 PNGIWWTYOIBKJL-YBEGLDIGSA-N 369.467 4.407 10 50 FICA COC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c1 1146143 SYHQAWOZQRZIIG-UHFFFAOYSA-N 355.415 4.010 10 50 FICA CCCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 5502603 MTOLIUDZHPIAEF-RVDMUPIBSA-N 351.493 4.095 10 50 FICA CCOC(=O)c1ccc2c(c1)nc(/C(Cl)=C/c1cccnc1)n2CC 253424264 CNACQOQMHKZRER-GDNBJRDFSA-N 355.825 4.365 10 50 FICA CCCCOc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1 2181584 GRGPQDBGMOSXES-HMMYKYKNSA-N 364.445 4.276 10 50 FICA Cc1cccc(Cn2cc(/C=C3\SC(=S)NC3=O)c3ccccc32)c1 1168855 XUORJLBLACBGOS-ZDLGFXPLSA-N 364.495 4.487 10 50 FICA Cc1cc(/C=C2/C(=O)N(C)C(=O)N=C2O)c(C)n1-c1ccc2ccccc2c1 1175117 YPKPNKHFHNAMLB-XDHOZWIPSA-N 373.412 4.179 10 50 FICA CN(C)c1ccc(-c2nc3cc(NC(=O)c4ccncc4)ccc3o2)cc1 1172791 JXBYIHCHPLKQOX-UHFFFAOYSA-N 358.401 4.208 10 50 FICA Cc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 1227283 XQAUZFHHMQOBRX-GDNBJRDFSA-N 356.428 4.309 10 50 FICA CCOc1cccc(CN2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c1O 12387734 DGEGZIKUGOLVTR-FQEVSTJZSA-N 354.494 4.484 10 50 FICA COc1ccc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cc1 15220801 MNWPOKQXGAXLTM-YBEGLDIGSA-N 357.456 4.110 10 50 FICA CCOC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 644117 URYNTSKYXJTSLF-CQSZACIVSA-N 352.386 4.099 10 50 FICA O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 682210 HYZLEILXRYAMOI-UHFFFAOYSA-N 371.845 4.372 10 50 FICA O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1cccc(Cl)c1 15009623 GEBCKGABQBSDHB-VGOFMYFVSA-N 363.847 4.157 10 50 FICA CCCCN1C(=O)/C(=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 16790569 ZRRMHGYBDYODNQ-NXVVXOECSA-N 374.531 4.061 10 50 FICA Oc1c(Cl)cc(Cl)cc1CN1CCN(Cc2ccccc2)CC1 22586641 DBGOOXXHYOZWGV-UHFFFAOYSA-N 351.277 4.017 10 50 FICA O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccc(Cl)cc1 4070520 BVEWEOSQBYKBKC-UHFFFAOYSA-N 354.822 4.135 10 50 FICA CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1 1074174 WIIYMCZEIHPITH-UHFFFAOYSA-N 369.442 4.400 10 50 FICA CCN(/N=N/c1nonc1-c1ccccc1)c1nonc1-c1ccccc1 4461803 MEARHYUHSIAWBY-LYBHJNIJSA-N 361.365 4.312 10 50 FICA C[C@H](NC(=O)COc1ccccc1F)c1ccc(N2CCCCC2)cc1 65364453 MUUBRCBAZYPYKF-INIZCTEOSA-N 356.441 4.072 10 50 FICA Cc1cccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c1 1228265 XRXDDURLKJYZNW-GDNBJRDFSA-N 356.428 4.309 10 50 FICA C[C@@H](O)c1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 1030419 VHYIPADWJMXVSU-OAHLLOKOSA-N 357.409 4.127 10 50 FICA Cc1ccccc1N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 3769043 HMLYNMWJJIYXRE-GDNBJRDFSA-N 355.440 4.099 10 50 FICA O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(Br)cc1 13534790 MWJUQSNOBXKUJS-KAMYIIQDSA-N 365.296 4.295 10 50 FICA CCOc1ccc(C2=C/C(=C/c3ccc(OC)c(OC)c3)C(=O)O2)cc1 852759 QFZULZZOYFRRQW-WJDWOHSUSA-N 352.386 4.084 10 50 FICA O=C1c2ccccc2C(=O)c2cc(NC(=O)c3coc4ccccc34)ccc21 5093511 GEUNTHYDKDNFDT-UHFFFAOYSA-N 367.360 4.461 10 50 FICA Cc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)NC1CCCC1 5182508 BXRZVANGNYJYAM-UHFFFAOYSA-N 356.466 4.105 10 50 FICA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4117266 LOHBBPBNYCISPQ-FRQCXROJSA-N 363.417 4.123 10 50 FICA O=C(Cn1ccc2ccccc21)N(Cc1ccco1)Cc1ccccc1O 173673247 FECRLVXETBPPCQ-UHFFFAOYSA-N 360.413 4.169 10 50 FICA COc1cccc(/C=C2/SC(S)=NC2=O)c1OCc1ccc(C)cc1 8372998 UHYVPXFCBIOSLZ-MHWRWJLKSA-N 371.483 4.483 10 50 FICA CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1 1191086 VTAQYWGNNAHMRO-SFQUDFHCSA-N 371.483 4.500 10 50 FICA CN(C)c1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 1009395 YALIYZGRCQMEGF-NBVRZTHBSA-N 368.527 4.197 10 50 FICA O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1Nc1ccccc1 1187354 COTZJDASCPIZDG-YBEGLDIGSA-N 351.456 4.396 10 50 FICA O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc(O)cc1 19771167 HUALFMTZQOOMKN-SXGWCWSVSA-N 352.440 4.279 10 50 FICA CCN(CC)c1ccc(CN2CCN(c3cccc(C)c3C)CC2)c(O)c1 55292243 SJAWHPDYEVKMAL-UHFFFAOYSA-N 367.537 4.177 10 50 FICA Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c(O)c1 4349498 YTFJVBNKQOIEKG-UZLBHIALSA-N 364.426 4.402 10 50 FICA CC(C)(C)OC(=O)N1CCN([C@@H](c2cccs2)c2ccccc2O)CC1 25760488 OTBBWUHOHOVTFB-GOSISDBHSA-N 374.506 4.096 10 50 FICA COc1cccc(O)c1CN1CCC[C@H](C(=O)c2ccccc2SC)C1 13659402 PALAORSVCXZEFA-HNNXBMFYSA-N 371.502 4.218 10 50 FICA Cc1ccc([C@H](C)NCCc2nc(-c3ccncc3)cs2)c(O)c1C 756730734 SCQQNBJTXNLLDO-HNNXBMFYSA-N 353.491 4.421 10 50 FICA C[C@@H](NCCc1nc(-c2ccncc2)cs1)c1c(O)cc(F)cc1F 1875259827 ZLQODNPYNIGWKR-LLVKDONJSA-N 361.417 4.082 10 50 FICA OC[C@@H]1CCCCN1Cc1cc(-c2nc3ccccc3s2)ccc1O 11982333 VNMHNPGWSNREHO-INIZCTEOSA-N 354.475 4.016 10 50 FICA CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCc1ccccc1 96602828 AVRHONIJAVZGJH-XDJHFCHBSA-N 351.425 4.045 10 50 FICA Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)c(C)c1 4471136 SQMCQKLSDCAZBQ-CXUHLZMHSA-N 357.456 4.120 10 50 FICA CCOC(=O)c1cccc(/N=N/c2c(C)nn(-c3ccccc3)c2O)c1 97964071 WQBCFVWBLXRKDR-QZQOTICOSA-N 350.378 4.478 10 50 FICA O=C1/C(=C/c2cc(Cl)ccc2O)SC(=S)N1Cc1ccco1 2816253 BRDLBJNRPWTUSQ-QPEQYQDCSA-N 351.836 4.040 10 50 FICA CCOc1ccc(N2C(=O)/C(=C\c3cccs3)C(C(=O)OC)=C2C)cc1 1105903 LCJNLHGQAFKWLI-ATVHPVEESA-N 369.442 4.024 10 50 FICA C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1cccc(C(F)(F)F)c1O 252485917 HFARLPLTUIPMEC-STQMWFEESA-N 359.388 4.137 10 50 FICA CCn1c(/C=C/c2c(C)n(C)c3ccc(OC)cc23)nc2ccccc2c1=O 4019504 NWPZTCHRLFVQPU-ACCUITESSA-N 373.456 4.396 10 50 FICA biogenic Oc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCc2ccccc2C1 12512829 KRMMEPRAAKBFCJ-UHFFFAOYSA-N 359.425 4.346 10 50 FICA O=[N+]([O-])c1cccc(N/N=N/c2ccc(I)cc2)c1 4951218 MDWOBHJFQXFTBJ-UHFFFAOYSA-N 368.134 4.310 10 50 FICA O=S(=O)(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccccc1 22135448 ZOPDGTVNGMYKON-UHFFFAOYSA-N 366.398 4.001 10 50 FICA COc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1[N+](=O)[O-] 16265870 VHCGUNLQKKKQGL-OQLLNIDSSA-N 351.358 4.202 10 50 FICA CCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O 855576 HANQQPWMPODWNH-HXUWFJFHSA-N 363.461 4.012 10 50 FICA CCCCN(C)Cc1cc(Br)cc(Br)c1O 19634509 QWYNTJLPUSFKMB-UHFFFAOYSA-N 351.082 4.149 10 50 FICA Cc1ccc(O)c(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c1 12358966 VBRNLOQCBCPPHL-VHEBQXMUSA-N 358.375 4.222 10 50 FICA in-vitro Cc1ccccc1Cn1cc(/C=C2\SC(=S)NC2=O)c2ccccc21 15800599 FHMPHQKWIYGMLL-ZDLGFXPLSA-N 364.495 4.487 10 50 FICA COc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 55543334 HLIYLTOSFVWWRG-UHFFFAOYSA-N 351.277 4.324 10 50 FICA CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 5838447 APTKIIOGHPGTKT-AAGJOFLKSA-N 371.483 4.150 10 50 FICA Cc1[nH]c2ccccc2c1/C=C1\C(=O)N(c2ccccc2)C(=S)N=C1O 16309487 INBUFJJNLBDPLT-WJDWOHSUSA-N 361.426 4.148 10 50 FICA CCCOc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 4913517 ZMBDGJJTDOYDOB-AQTBWJFISA-N 365.389 4.190 10 50 FICA O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)s1 130172989 BYOWBZNHRZLHNC-UHFFFAOYSA-N 358.655 4.215 10 50 FICA CCN1C(=O)/C(=C\c2cccc3c2-c2ccccc2C3=O)SC1=S 4950461 ZHEXVLMEFVKISB-XNTDXEJSSA-N 351.452 4.119 10 50 FICA COc1cccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1O 19323974 BRMUEVJUZYWWMG-UHFFFAOYSA-N 374.484 4.417 10 50 FICA COc1ccc(C2=C/C(=C/c3ccc(C)c(OC)c3)C(=O)O2)c(OC)c1 843821 GYEYTCDZXQIANS-DHDCSXOGSA-N 352.386 4.002 10 50 FICA COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)ccc1O 1207883 YOYVFLDYCCQMPF-YVLHZVERSA-N 371.483 4.423 10 50 FICA Oc1ccccc1CN1CCc2[nH]cnc2[C@H]1c1c(F)cccc1Cl 67473193 DSQAQHOOEZYUHF-LJQANCHMSA-N 357.816 4.056 10 50 FICA Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 4953065 AWJGMULVYBWXIS-CXUHLZMHSA-N 355.440 4.130 10 50 FICA Cc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1159155 KYDJJANSOQPKDZ-ATVHPVEESA-N 354.500 4.467 10 50 FICA O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1188244 KNHRJCOEVCXUAT-OQLLNIDSSA-N 361.875 4.408 10 50 FICA COc1c(C)cc(C(=O)[C@@H]2CCCN(Cc3ccccc3O)C2)cc1C 12759135 CRUJRDAYYBTVOD-GOSISDBHSA-N 353.462 4.113 10 50 FICA COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccco1 631837 IZGGUNJWTURWBF-PDGQHHTCSA-N 351.402 4.280 10 50 FICA Cc1c(/C=C2/C(=O)NC(=O)N=C2O)cc(-c2ccccc2)n1-c1ccccc1 8741184 JXOLYCLABYTQMN-UHFFFAOYSA-N 371.396 4.042 10 50 FICA CC(=O)c1cccc(NC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 96140560 KCKCHCRRGBWYOH-INIZCTEOSA-N 365.477 4.447 10 50 FICA CCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O 4903373 HANQQPWMPODWNH-FQEVSTJZSA-N 363.461 4.012 10 50 FICA CCc1nc(C(C)(C)NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)no1 225684818 XYOCFADFTUPTMX-UHFFFAOYSA-N 366.465 4.013 10 50 FICA Cc1ccc2c(C3=CCN(c4cncc(-n5ccnc5C)n4)CC3)c[nH]c2c1 1875256091 JCBUGNQBXCAYGI-UHFFFAOYSA-N 370.460 4.054 10 50 FICA COC(=O)c1ccc(OCc2ccc(-c3nc(N)sc3C)cc2)cc1 94968074 QRKZNKJTZFYFBE-UHFFFAOYSA-N 354.431 4.066 10 50 FICA CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)C2CCN(Cc3ccccc3O)CC2)C1 100818488 PJVNCPNBLJRDNC-WMZHIEFXSA-N 370.537 4.031 10 50 FICA Oc1ccccc1CN1CCN(Cc2ccccc2O)C1c1cccs1 19322209 UHUSESCQLLQOJZ-UHFFFAOYSA-N 366.486 4.176 10 50 FICA O=C1N=C(N2CCCCCC2)S/C1=C\c1cccc(Br)c1 12428616 XNRLFVLEOPQBRD-KAMYIIQDSA-N 365.296 4.295 10 50 FICA CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccccc1 15015193 MGODDJPVMIIGPR-BOPFTXTBSA-N 371.483 4.153 10 50 FICA O=C1NC(=S)S/C1=C/c1cc(Cl)ccc1OCc1ccccc1 2958852 KPEZRKHEYGCWDW-OQLLNIDSSA-N 361.875 4.408 10 50 FICA Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccc(N(C)C)cc1)N2 100716768 JRNPGDLNLMYTQY-LJQANCHMSA-N 365.868 4.362 10 50 FICA COC(=O)[C@H](Cc1ccc(O)cc1)Nc1c2ccccc2nc2ccccc12 4551351 RHCBSOOPQGYLJF-NRFANRHFSA-N 372.424 4.290 10 50 FICA CCN(CC)c1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)cc1 19364162 DQGBKYDGZHUTAP-DHZHZOJOSA-N 363.549 4.364 10 50 FICA Cc1cccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 22014945 PFNQYMZBPJNGOQ-UHFFFAOYSA-N 369.420 4.341 10 50 FICA CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 12574265 BLBDYIMGUJUZCA-WQRHYEAKSA-N 362.820 4.082 10 50 FICA COc1cccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1O 11662760 AHGNSQOQQSWKHX-HNNXBMFYSA-N 359.853 4.149 10 50 FICA CCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc12 855790 YFSKCIHTYVXXLV-JOCHJYFZSA-N 365.429 4.178 10 50 FICA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc2c(c1)OCO2 1196359 PYJFORBXXGDFDS-QPEQYQDCSA-N 371.186 4.159 10 50 FICA O=C(COc1ccccc1)N[C@@H](c1ccco1)c1c(O)ccc2ccccc12 2921379 XTQQOXQMSXHJKA-QHCPKHFHSA-N 373.408 4.423 10 50 FICA Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccc(Br)cc2)C1 1183006 JBAJCNIIEZQOCL-CYBMUJFWSA-N 351.631 4.247 10 50 FICA O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1C[C@@H]1CCCO1 1103197 KRSNVALIOODAPV-HOVAHTAHSA-N 374.314 4.374 10 50 FICA CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 4833674 LVDSKAPXEQZINX-NTEUORMPSA-N 360.416 4.076 10 50 FICA Oc1ccc(-c2ccccc2)cc1CN1CCN(Cc2ccccc2)CC1 20256638 DDGHFVLWTUQTGW-UHFFFAOYSA-N 358.485 4.377 10 50 FICA COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 4151353 JTXDIDQZNSBYDR-FCEWJHQRSA-N 350.374 4.208 10 50 FICA Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(O)c3O)c(O)c2n1 1857778016 IVWKYQUXMWMOTL-HXUWFJFHSA-N 373.412 4.257 10 50 FICA Cc1ccc(CN2CCC(CN(C)Cc3cc(Cl)ccc3O)CC2)o1 15074690 LFIACRWNZQHSST-UHFFFAOYSA-N 362.901 4.291 10 50 FICA O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@H]21 4539496 HMYBOJRMGBRYMD-IYOUNJFTSA-N 353.805 4.109 10 50 FICA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@H]1c1ccc(C)cc1 8465860 GFURRXDWVJZLMS-VQTJNVASSA-N 359.425 4.231 10 50 FICA Oc1c([C@H](Nc2ccccn2)c2ccc3c(c2)OCO3)ccc2cccnc12 13062699 FLMWXEBHNKXLCZ-HXUWFJFHSA-N 371.396 4.266 10 50 FICA C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1cccc(C(F)(F)F)c1O 252485916 HFARLPLTUIPMEC-QWHCGFSZSA-N 359.388 4.137 10 50 FICA C[C@@H](NC(=O)COc1ccccc1F)c1ccc(N2CCCCC2)cc1 65364454 MUUBRCBAZYPYKF-MRXNPFEDSA-N 356.441 4.072 10 50 FICA Cc1ccsc1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 4819714 TUDAMAGZWQNAKO-MDWZMJQESA-N 362.457 4.371 10 50 FICA CSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccccc1S2 19362650 RLJFTICUTYVZDG-SFHVURJKSA-N 356.560 4.404 10 50 FICA biogenic,world CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 5092911 IRIDHWIYKXBZDY-UHFFFAOYSA-N 371.392 4.113 10 50 FICA COc1ccc(CN[C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1C 12464382 BMRHXHIMEOMXKM-OAHLLOKOSA-N 353.441 4.488 10 50 FICA CCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 855788 NDJSWWKHGHJKBU-HXUWFJFHSA-N 350.374 4.069 10 50 FICA O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 754467 UBUFPUJTIFHPPG-UHFFFAOYSA-N 350.852 4.264 10 50 FICA COc1ccc(C2=C/C(=C/c3ccc(Br)cc3)C(=O)O2)cc1 1202470 XPKOUHPOXLIUAK-UVTDQMKNSA-N 357.203 4.439 10 50 FICA COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 1227636 NWQDCTLAUUCZHU-BOPFTXTBSA-N 371.483 4.418 10 50 FICA C[C@H](N[C@H]1C[C@@H](C)c2c(F)ccc(O)c21)c1cccc(N2CCOC2=O)c1 756455404 JVVFCQXVPOWJQY-IGCXYCKISA-N 370.424 4.387 10 50 FICA CCCOC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 2986300 JUFZQGRDDUHAMR-UHFFFAOYSA-N 372.804 4.445 10 50 FICA O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\C=C\c1ccccc1 16309482 BKEDMBKWTQVNSH-YECQTARSSA-N 368.392 4.062 10 50 FICA Oc1ccc2ccccc2c1CN1CCN(C/C=C/c2ccccc2)CC1 19595630 NAXDHWXMVXAYBU-RMKNXTFCSA-N 358.485 4.376 10 50 FICA C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 68462858 KVJDCLQQRYMWFS-CQSZACIVSA-N 359.857 4.059 10 50 FICA Cc1ccc(N2C(=S)NC(C)(C)C[C@@]2(C)c2ccc(O)cc2O)cc1 3009595 AYPVLYMKGYBEOF-FQEVSTJZSA-N 356.491 4.185 10 50 FICA COC(=O)[C@@H](Cc1ccc(O)cc1)Nc1c2ccccc2nc2ccccc12 4551350 RHCBSOOPQGYLJF-OAQYLSRUSA-N 372.424 4.290 10 50 FICA COc1ccc2c(c1)CCc1sc(NCc3cccc(OC)c3O)nc1-2 2825592 UPZYQZBIJALRMC-UHFFFAOYSA-N 368.458 4.244 10 50 FICA O=[N+]([O-])c1ccccc1[C@@H](Nc1ccccn1)c1ccc2cccnc2c1O 4164559 MGFHRDKEEYAVJX-HXUWFJFHSA-N 372.384 4.445 10 50 FICA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4455800 UTQBPXQPYZFHBY-GJYPPUQNSA-N 350.374 4.208 10 50 FICA CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 5838330 APTKIIOGHPGTKT-KMPOOHAWSA-N 371.483 4.150 10 50 FICA Cc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1[N+](=O)[O-] 1149665 FLQVYZVMUKNFQT-OQLLNIDSSA-N 374.418 4.448 10 50 FICA COC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 4482824 AIYWDQLCSGOVRU-XNTDXEJSSA-N 373.430 4.018 10 50 FICA CC(C)C(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 2872987 PHIORMIWMSGPNH-HXUWFJFHSA-N 364.401 4.315 10 50 FICA Cc1ccc(O)c(CN2CCc3[nH]cnc3[C@H]2c2cc3ccccc3[nH]2)c1 67803521 SKXSLNGTOZRYCB-JOCHJYFZSA-N 358.445 4.053 10 50 FICA COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 4482825 LATPWJKJJHFDOQ-XNTDXEJSSA-N 373.430 4.018 10 50 FICA COc1ccc(OC)c(-c2nc(NCc3ccccc3O)sc2C)c1 3672188 SWSQDNXQVIDFHD-UHFFFAOYSA-N 356.447 4.453 10 50 FICA COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1OC 13749821 DSZKCPGUJGMPHJ-WJDWOHSUSA-N 371.483 4.105 10 50 FICA CCOC(=O)c1c(NCc2cc(OC)ccc2O)sc2c1CCCC2 708900 LRODEYUUCRMODW-UHFFFAOYSA-N 361.463 4.130 10 50 FICA O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O 1184618 NJUDRDHGCGKJOW-YPKPFQOOSA-N 372.858 4.068 10 50 FICA Cc1oc(C(=O)O)cc1COc1ccc2c3c(c(=O)oc2c1C)CCCC3 2110350 WZUFMGGOUFDDNP-UHFFFAOYSA-N 368.385 4.159 10 50 FICA biogenic Cc1ccc(C2=NN3C(=O)C(c4ccccc4)=S=C3c3ccccc32)cc1 334158867 AYGRHRFQPIYRBE-UHFFFAOYSA-N 368.461 4.035 10 50 FICA C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@@H]1c1ccc(N(C)C)cc1 13510721 MBRDKMVQLAQSMB-NLZGTENKSA-N 365.521 4.046 10 50 FICA O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1907715 JZGPHDVWNPYEFV-RAXLEYEMSA-N 369.895 4.186 10 50 FICA Oc1ccccc1CN1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 53201290 IGCYDMHHQHPMEJ-QFIPXVFZSA-N 354.469 4.019 10 50 FICA CC(C)(C)OC(=O)N1CCN([C@@H](c2ccccc2)c2ccccc2O)CC1 25759796 WFSYGBQBDFJAIJ-FQEVSTJZSA-N 368.477 4.034 10 50 FICA CC(C)COc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cc1 2325872701 KELWEIFKCJORHF-UHFFFAOYSA-N 371.458 4.277 10 50 FICA O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1Cc1ccccc1 15011479 NTHSOWKVBRZUIB-OQLLNIDSSA-N 361.875 4.447 10 50 FICA COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cc(Cl)cc(Cl)c1O 19874962 LJMWUTCOZPWNMC-MRXNPFEDSA-N 363.244 4.424 10 50 FICA Cc1ccsc1/C=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 1147221 OHHIDPKCWFSGNX-MDWZMJQESA-N 362.457 4.371 10 50 FICA Cc1c(OCC(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 639323 ADNMSBVLIZNPGU-UHFFFAOYSA-N 366.413 4.489 10 50 FICA CCCCCN1C(=O)/C(=C2/C(=O)N(CCC)c3ccccc32)SC1=S 2672927 MNITUFHFAAELQT-NXVVXOECSA-N 374.531 4.205 10 50 FICA COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 4839134 DIOJDLCWOFBINQ-BOPFTXTBSA-N 371.234 4.264 10 50 FICA CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1 920203 BXYXFMPJPOIFGY-UHFFFAOYSA-N 354.431 4.181 10 50 FICA O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1Cl)c1ccccc1 944044 BQZKHPFZSKTMOX-UHFFFAOYSA-N 352.626 4.153 10 50 FICA CC(C)OC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 952252 NFJHAWMKRUQFBO-CQSZACIVSA-N 352.386 4.179 10 50 FICA biogenic N=C1/C(=C/c2cccc(Cl)c2)C(=O)N=C2SC(c3ccccc3)=NN12 4646007 IJIQOGUZGOKSJQ-UKMRQWHXSA-N 366.833 4.007 10 50 FICA Cc1cccc(NC2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)c1C 5090791 POSATMGZDJDXJM-RQZCQDPDSA-N 352.415 4.115 10 50 FICA O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1Cc1ccco1 13739566 SBDGKCHPTFCIST-QPEQYQDCSA-N 353.827 4.474 10 50 FICA CCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2c(CN(C)C)c1O 1123585 RJCFARRCABBOPP-UHFFFAOYSA-N 371.408 4.362 10 50 FICA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 13402414 IVIBYCHONCKDIH-IIDMSEBBSA-N 366.373 4.128 10 50 FICA COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1sccc1C 13402056 ZXBSGJNLPVUXJC-RAXLEYEMSA-N 357.406 4.073 10 50 FICA COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 43769593 NEOFHRGSRDCPJN-GPMSIDNRSA-N 352.390 4.439 10 50 FICA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@@H]31 13590153 LBDYSHXIVYPQCI-AXOAAPQKSA-N 372.262 4.055 10 50 FICA CCOc1ccc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc1 4894119 FCOODAKSLRQBIM-UHFFFAOYSA-N 364.353 4.080 10 50 FICA COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 2682480 XVHZDPQQTNGEDV-GHXNOFRVSA-N 362.303 4.231 10 50 FICA CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1sccc1C 4615202 SFVDTHPQBCPYQJ-XYOKQWHBSA-N 360.822 4.214 10 50 FICA CN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S 5052619 ATQGYBCFOQGETR-MHWRWJLKSA-N 359.447 4.236 10 50 FICA C[C@@H]1CCCN(c2ccc(CNC(=O)Nc3cccnc3Cl)cc2)C1 95499427 VXPXFEUYKLQMIO-CQSZACIVSA-N 358.873 4.293 10 50 FICA CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1C[C@H]1CCCO1 3214925 ZVMSOAPMDAUXKZ-GOSISDBHSA-N 353.511 4.411 10 50 FICA CCN(CC)c1ccc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 55292300 URZNOJLTTBGIIV-UHFFFAOYSA-N 365.521 4.058 10 50 FICA CCN1CCN(Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 22586476 NXFKDPDENMVKJL-UHFFFAOYSA-N 365.443 4.250 10 50 FICA Oc1ccc(Cl)cc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 53199651 YKZYXYXWCSUFHS-UHFFFAOYSA-N 370.802 4.387 10 50 FICA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 217399566 UTQBPXQPYZFHBY-JTDSTZFVSA-N 350.374 4.208 10 50 FICA C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1cccc(C(F)(F)F)c1O 252485915 HFARLPLTUIPMEC-OLZOCXBDSA-N 359.388 4.137 10 50 FICA CCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 2706873 QOQPYNNYCKTIPB-XFXZXTDPSA-N 356.310 4.450 10 50 FICA CCOC(=O)[C@H]1CCCCN1Cc1cc(-c2ccc(F)cc2)ccc1O 12078922 DKDBRQAEHVSRBV-LJQANCHMSA-N 357.425 4.116 10 50 FICA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccccc1[N+](=O)[O-] 1198503 PGZBRLXCLCBCHK-LCYFTJDESA-N 372.174 4.339 10 50 FICA Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 55568599 UFWDGUIBRCZFLU-VGOFMYFVSA-N 365.380 4.252 10 50 FICA Oc1c(F)cccc1CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1 209862668 YSLGDHLGTDUAFF-CTNGQTDRSA-N 351.421 4.035 10 50 FICA CCOC(=O)[C@H](CC)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1216955 XKSILMCUKQCPRE-SFHVURJKSA-N 366.413 4.489 10 50 FICA CC1(C)CC(Nc2cccc3c2C(=O)c2ccccc2C3=O)CC(C)(C)N1 4123393 MSJTZABFWCGSGE-UHFFFAOYSA-N 362.473 4.183 10 50 FICA CN(C)c1ccc(C2=CCN(C(=O)c3[nH]c4ccccc4c3Cl)C2)cc1 1875258135 BDDYGHJZIOSLDP-UHFFFAOYSA-N 365.864 4.427 10 50 FICA COc1cc(/C=C2\SC(Nc3ccc(C)c(Cl)c3)=NC2=O)ccc1O 1201662 LISFGHYERVXXMK-PXNMLYILSA-N 374.849 4.445 10 50 FICA COc1cccc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1O 12073549 BHTYXZJYPWRIDI-OAHLLOKOSA-N 359.853 4.149 10 50 FICA Cc1ccc(O)c(N=Nc2c(O)cc(S(=O)(=O)O)c3ccccc23)c1 254514836 VBRNLOQCBCPPHL-UHFFFAOYSA-N 358.375 4.222 10 50 FICA COc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 1166217 TUZFXPFNKQOOSG-BOPFTXTBSA-N 371.483 4.105 10 50 FICA CCOc1cccc(CN2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1O 12055822 YMMIGJNZEMKWNE-MRXNPFEDSA-N 362.420 4.146 10 50 FICA FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1ncccn1 191008691 AJUIFSSOLFFTPX-UHFFFAOYSA-N 350.369 4.195 10 50 FICA CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC2)c1O 11867307 QBYKTMGARPJPIU-UHFFFAOYSA-N 370.474 4.089 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2cccc(C)c2)c1O 16671834 HHPPJQJSWLOBNU-UYRXBGFRSA-N 372.428 4.001 10 50 FICA CCOc1cccc(CN2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c1O 12387733 DGEGZIKUGOLVTR-HXUWFJFHSA-N 354.494 4.484 10 50 FICA CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 1089928 CUSQKYDSZJCVAY-WJDWOHSUSA-N 357.456 4.197 10 50 FICA CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1O 975430 GIUYRGSYCKSGMO-GZTJUZNOSA-N 371.483 4.192 10 50 FICA COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 1029035 AIPMYFOYGMYEDV-BOPFTXTBSA-N 371.483 4.418 10 50 FICA COc1ccc(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)cc1O 170601874 SWJOWQIJSNJJAV-UHFFFAOYSA-N 364.445 4.047 10 50 FICA CCOc1ccc2ccc(OCC)c(/C=C3/SC(=S)NC3=O)c2c1 1179011 CORNGPJLBXMGOE-MHWRWJLKSA-N 359.472 4.126 10 50 FICA CCOc1ccc(C2=C/C(=C/c3ccc(Br)o3)C(=O)O2)cc1 1200896 YNKFTVMJAYRMDP-XFXZXTDPSA-N 361.191 4.422 10 50 FICA CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 4687971 BYDGLAHLEAVLSC-CXUHLZMHSA-N 371.418 4.059 10 50 FICA Cc1oc2ccc(O)c(CN3CCCC3)c2c1C(=O)Nc1ccccc1 5182467 IGLWWMRLNCWGQP-UHFFFAOYSA-N 350.418 4.295 10 50 FICA COc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1Cl 1084116 RNQKXTVLLYJILI-NTUHNPAUSA-N 351.836 4.097 10 50 FICA COc1cccc(-c2ccc(O)c(CNCCc3ccccc3Cl)c2)n1 299772700 ANRBTKJFXUFDNM-UHFFFAOYSA-N 368.864 4.449 10 50 FICA CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1 15009136 MYRKLVZIUAHQBN-JXAWBTAJSA-N 363.417 4.040 10 50 FICA COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 871805 NEOFHRGSRDCPJN-JTDSTZFVSA-N 352.390 4.439 10 50 FICA Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(c2ccccc2)C1=O 1161892 OMBSIWJJYJOFNT-HMMYKYKNSA-N 361.445 4.083 10 50 FICA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 5738343 IVIBYCHONCKDIH-RVKKMQEKSA-N 366.373 4.128 10 50 FICA COc1ccc(O)c(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1 11950506 RVVBARXKFBXUHQ-HNNXBMFYSA-N 359.853 4.149 10 50 FICA CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 5165781 YZOAMOCEZGKPBH-SFQUDFHCSA-N 371.483 4.500 10 50 FICA CN(Cc1nnc(-c2ccccc2)o1)Cc1cc(-c2cccnc2)ccc1O 19792441 XKGZWZPWTNDDMA-UHFFFAOYSA-N 372.428 4.136 10 50 FICA COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1OC(C)C 4704777 VERWNACHOLFUNT-AQTBWJFISA-N 350.418 4.289 10 50 FICA Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C)c(O)c(Cl)cc12 19911599 PLWJFQJDRUWHGM-UHFFFAOYSA-N 357.837 4.113 10 50 FICA aggregator COc1ccc([C@@H]2Nc3c(OC)cccc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 227102452 VODZFEUPYOEKCL-LPMFXHHGSA-N 352.390 4.439 10 50 FICA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@@H]1CC=C[C@H]31 229906754 LBDYSHXIVYPQCI-KGPAQONLSA-N 372.262 4.055 10 50 FICA Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 1150587 ZQQQKBGPUDIRCV-OQLLNIDSSA-N 374.418 4.448 10 50 FICA COc1ccc(N2CCN(C(=O)c3ccccc3SC(C)C)CC2)cc1 7495459 LSNNVRWGOYCJHV-UHFFFAOYSA-N 370.518 4.158 10 50 FICA O=[N+]([O-])c1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 3642524 CQENDYNGQYLRCZ-UHFFFAOYSA-N 362.345 4.015 10 50 FICA COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 4151355 JTXDIDQZNSBYDR-BXWFABGCSA-N 350.374 4.208 10 50 FICA CCc1oc2c(CN(C)C)c(O)ccc2c(=O)c1Oc1ccc(F)cc1 19902471 DPZKMYXBZXHSNF-UHFFFAOYSA-N 357.381 4.054 10 50 FICA COc1ccccc1/N=N/c1cc(S(=O)(=O)O)c2ccccc2c1O 4528645 JRLHFEXLBNGRJO-VHEBQXMUSA-N 358.375 4.216 10 50 FICA in-vitro CC(=O)Nc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 16265073 CXRFPXLXKPGXAL-WJDWOHSUSA-N 354.456 4.051 10 50 FICA O=C(O)CCCCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 1916897 VFUOTSDKPPWRLE-JLHYYAGUSA-N 369.895 4.186 10 50 FICA Oc1c([C@@H](Nc2ccccn2)c2ccc3c(c2)OCO3)ccc2cccnc12 13062698 FLMWXEBHNKXLCZ-FQEVSTJZSA-N 371.396 4.266 10 50 FICA O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 2575848 HEURULFBTWOCSY-UHFFFAOYSA-N 358.777 4.354 10 50 FICA CN(c1ncccc1CNCc1ccc2c(c1)CCO2)C1CCCCC1 11879329 ORUBWEXZYKUFIZ-UHFFFAOYSA-N 351.494 4.075 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cccc(Br)c1 13282652 LPJKFZQZJHGZFR-LFIBNONCSA-N 356.223 4.168 10 50 FICA N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC(c3ccccc3)=NN12 15800256 QZFSRMDCZRFHPU-UKMRQWHXSA-N 366.833 4.007 10 50 FICA O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21 13381880 HMYBOJRMGBRYMD-LBTNJELSSA-N 353.805 4.109 10 50 FICA COC[C@H](C)NC1CCN(c2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 23544036 DZCPFVTYZIHPIF-KRWDZBQOSA-N 363.505 4.428 10 50 FICA CCC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 2873342 VBQKUPPYJZSZNJ-HXUWFJFHSA-N 350.374 4.069 10 50 FICA C/C(NC1CC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100095218 IDQGPOQQDNPNTI-AQTBWJFISA-N 374.469 4.073 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccncc2)c1C 1162402 NGDFOEBLGPLLMQ-KGENOOAVSA-N 356.429 4.295 10 50 FICA CCOc1cccc(CN2CCC[C@H](c3n[nH]cc3CC(C)C)C2)c1O 42942819 NBVPSYOXYQZEFA-INIZCTEOSA-N 357.498 4.092 10 50 FICA O=C(Cc1ccccc1)N[C@@H](c1ccccc1)c1ccc2cccnc2c1O 970913 UFBVIJHBWGURQK-QFIPXVFZSA-N 368.436 4.389 10 50 FICA C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccco2)C1=O 15379106 LIUOUGDQABFSOA-NJPLLEPOSA-N 369.467 4.388 10 50 FICA CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 16267502 MCIUPPPPUQCJSI-SXGWCWSVSA-N 373.430 4.157 10 50 FICA Oc1ccc(Br)cc1C1=NN[C@H](c2ccccc2Cl)C1 1454639 GNZYPZHXJPPMIJ-ZDUSSCGKSA-N 351.631 4.247 10 50 FICA biogenic Cc1cccc(NC2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)c1C 5090803 QBZCIVNOGSJXQC-MHWRWJLKSA-N 353.403 4.294 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1O 5504569 JXRHRFMLUGXPMS-CPNJWEJPSA-N 372.428 4.001 10 50 FICA CN(C)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 19791520 AZZYTSCNGDLZMW-UHFFFAOYSA-N 363.335 4.246 10 50 FICA COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccccc2OC)cc1 920187 PYODIXNBVINYTJ-UHFFFAOYSA-N 351.402 4.179 10 50 FICA biogenic COc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1[N+](=O)[O-] 22478541 DYXTXSWHPZNGOF-CXUHLZMHSA-N 351.358 4.202 10 50 FICA Cc1ccccc1/C=C1/C(=N)N2N=C(C3CCCCC3)SC2=NC1=O 15836244 OTPBJKUKTMLEOL-GQECEEOXSA-N 352.463 4.194 10 50 FICA COc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1Cl 1136145 JOLOPVYTIVOEPO-JYRVWZFOSA-N 351.836 4.347 10 50 FICA COc1cccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c1 1209455 WYNSZBZLZUCZNZ-DHDCSXOGSA-N 372.427 4.009 10 50 FICA O=C1/C(=C\c2ccccc2)SC(=S)N1C(=O)c1ccccc1Cl 408822153 GVGSQQFWWGJRDY-GXDHUFHOSA-N 359.859 4.382 10 50 FICA Cc1ncn(-c2ccc([C@H](C)NCc3ccc4c(c3)CCCO4)cn2)c1C 2325803482 JWNQUDAAUJEZII-INIZCTEOSA-N 362.477 4.060 10 50 FICA CC(C)C(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 855800 MROBCDLTWRYMBK-HXUWFJFHSA-N 364.401 4.315 10 50 FICA Oc1ccc(-c2[nH]nc(C(F)(F)F)c2Oc2ccccc2)c(O)c1O 4755668 QFQHMNFORHZWSG-UHFFFAOYSA-N 352.268 4.005 10 50 FICA CCCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 5502037 RLNPHAHAXATXDI-SDNWHVSQSA-N 350.465 4.376 10 50 FICA O=C1C(=Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 3189490 ASXNTIIEIUMACF-UHFFFAOYSA-N 368.392 4.270 10 50 FICA CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 4457100 QMDDYIKIUMLOIK-PILJQMSFSA-N 355.463 4.324 10 50 FICA COc1cc(Cl)cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1O 995184 FUEVYCYBGSCYIY-NVNXTCNLSA-N 359.834 4.424 10 50 FICA COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c1 11818121 RTLGAFVFCISHEJ-OAHLLOKOSA-N 373.880 4.458 10 50 FICA COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 12420256 BMHOOJHSGRIFNX-LGMDPLHJSA-N 355.484 4.139 10 50 FICA CC(C)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 1181918 SALMEWMUDZRBAY-GHXNOFRVSA-N 356.310 4.306 10 50 FICA C[C@H]1CCCN(Cc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCCC4)C1 19912154 UUEGAQAXSCEANP-LBPRGKRZSA-N 361.869 4.263 10 50 FICA Cc1ccc2nc([C@H]3C(=O)c4ccc(Br)cc4C3=O)ccc2c1 100401668 SFNPDRBXDYCLRR-KRWDZBQOSA-N 366.214 4.469 10 50 FICA CC(C)c1noc([C@@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n1 822285041 JXBFADAZTOJLFR-OAHLLOKOSA-N 354.498 4.001 10 50 FICA Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c(O)c1CN1CCCC1 20267658 RHWOIDZJKDPOGS-UHFFFAOYSA-N 363.457 4.302 10 50 FICA O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1F 1160083 ZXFUNELIFVLNBO-ZROIWOOFSA-N 360.391 4.140 10 50 FICA COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1 13532626 IIOKSQSKRJPHAH-WJDWOHSUSA-N 357.456 4.110 10 50 FICA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1C 100501678 MARAZEJHABJPPY-YBEGLDIGSA-N 369.808 4.065 10 50 FICA CCCn1nc(C)c(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1C 160703769 VYWODKAAGHXDOS-UVTDQMKNSA-N 368.868 4.218 10 50 FICA COc1cccc(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)c1O 12021998 CQKROLADHYXHMZ-OAHLLOKOSA-N 371.502 4.218 10 50 FICA Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1Cc1ccccc1 1137579 UIMDIVVGYMLARP-KGENOOAVSA-N 371.440 4.251 10 50 FICA CN(Cc1nnc(-c2ccccc2)o1)Cc1cc(-c2ccccn2)ccc1O 11788526 RDUNWBUBHCHMLV-UHFFFAOYSA-N 372.428 4.136 10 50 FICA CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)SC1=S 100327638 XVXGQUBALDLGPP-QBFSEMIESA-N 356.925 4.321 10 50 FICA COc1ccc(O)c(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1 11878821 XVUJJNYQWYPDAS-HNNXBMFYSA-N 359.853 4.149 10 50 FICA CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccs1 12729723 HQEVAWZHUQQXMP-ATVHPVEESA-N 353.443 4.324 10 50 FICA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1C 100148494 MJWKPVYFGAPWAW-WQRHYEAKSA-N 364.405 4.239 10 50 FICA COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccs1 1074372 OPPALALOICNWRY-LGMDPLHJSA-N 357.475 4.311 10 50 FICA Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 1183117 BUTYHUYCWXWQRK-GZTJUZNOSA-N 355.484 4.405 10 50 FICA COc1ccc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 55543074 QRPHLHIAZYFRJA-UHFFFAOYSA-N 350.384 4.036 10 50 FICA Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1 1232927 OQDKJHNFJNVPTA-UHFFFAOYSA-N 366.653 4.462 10 50 FICA CN(C)c1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100823777 YBDRFLOVPAJWCZ-SFHVURJKSA-N 351.841 4.054 10 50 FICA CCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc12 855789 YFSKCIHTYVXXLV-QFIPXVFZSA-N 365.429 4.178 10 50 FICA CCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 855791 FPZGTODTOZETQY-NRFANRHFSA-N 364.401 4.459 10 50 FICA O=C1/C(=C\c2ccccc2F)SC(=S)N1C(=O)c1ccc(F)cc1 408822167 HGIXXUUMDLTPQW-NTEUORMPSA-N 361.394 4.006 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccnc2)c1C 1092433 REBPHPLMEBXQFT-FYJGNVAPSA-N 356.429 4.295 10 50 FICA CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(OCC)c1 15011082 IKJIIHXIVNHQHZ-SXGWCWSVSA-N 365.520 4.341 10 50 FICA O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccc(O)c1 19771175 VRJYWOFDFXIKCX-PXNMLYILSA-N 352.440 4.279 10 50 FICA CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 1087674 BWAWMJRGHPMBSJ-ZROIWOOFSA-N 360.416 4.076 10 50 FICA CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@H](C)C(=O)OC 633877 WJFDVCZUMCWMKZ-CQSZACIVSA-N 366.413 4.353 10 50 FICA CC1=NN(c2cc([N+](=O)[O-])ccc2Cl)C(=O)/C1=C\c1ccc(C)cc1 16116127 IAANPFVCXJLJRG-DHDCSXOGSA-N 355.781 4.363 10 50 FICA CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1O 969705 KSGNOHQIYOTGJE-LFIBNONCSA-N 363.504 4.325 10 50 FICA O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1cccc(C(F)(F)F)c1 4819650 ZXDKWMUPKVCHOH-XYOKQWHBSA-N 354.378 4.439 10 50 FICA COc1ccc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1OC 3642512 XGMVNTALRMPIGY-UHFFFAOYSA-N 361.401 4.135 10 50 FICA CCOC(=O)[C@@H](CC)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1216956 XKSILMCUKQCPRE-GOSISDBHSA-N 366.413 4.489 10 50 FICA Cc1nc(NCc2ccc(N3CCC[C@@H](C)C3)cc2)c2c(C)noc2n1 95364455 RHYLSKASKAGFRZ-CYBMUJFWSA-N 351.454 4.083 10 50 FICA CCOc1cccc(CN(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1O 23359776 IYSRPKGRWHOZSL-LJQANCHMSA-N 372.484 4.026 10 50 FICA COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccco2)cc1 3039351 YHCYGRMXYLJBIU-UHFFFAOYSA-N 350.418 4.322 10 50 FICA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(C)cc1 18250792 GTMXYEXRHVYCNK-QGOAFFKASA-N 350.378 4.012 10 50 FICA COc1ccc(OC)c(C2=C/C(=C/c3ccc(C)c(OC)c3)C(=O)O2)c1 843811 XRFAXYWWNMXRBN-DHDCSXOGSA-N 352.386 4.002 10 50 FICA O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 17181041 NTSXQQLZAOSYGW-UHFFFAOYSA-N 367.213 4.008 10 50 FICA COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N=C3O)c2C)cc1 15723546 SBSYDSUAXFYGMG-DHDCSXOGSA-N 372.471 4.210 10 50 FICA CO[C@@H](CNC1CCN(c2ccc3c(c2)CCC3)CC1)c1cccs1 1506418325 QCQLDEYSGGKYNE-FQEVSTJZSA-N 356.535 4.183 10 50 FICA CC(C)C(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O 855785 FPISIVZHARXNRT-SFHVURJKSA-N 354.837 4.455 10 50 FICA biogenic Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cccn3C(C)(C)C)C2=O)c1 1157321 YANSUBMIEBJALF-FOWTUZBSSA-N 351.406 4.058 10 50 FICA O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cccc([N+](=O)[O-])c1 2916989 MKJRPRGQMFPORG-JYRVWZFOSA-N 372.174 4.339 10 50 FICA COC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N 2572853 RXXFFXYTDCKZKD-UHFFFAOYSA-N 352.337 4.351 10 50 FICA Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 2899899 SOVYEOFHDDZPFQ-DHDCSXOGSA-N 372.833 4.429 10 50 FICA CCc1ccc(N2N=C(C)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 1219015 XSHCPGPKMVZXKW-PDGQHHTCSA-N 350.418 4.072 10 50 FICA Oc1ccccc1CN1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1 15069975 ZBOAIRCGDNDTJP-QGZVFWFLSA-N 351.425 4.301 10 50 FICA COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3ccccc3O)C2)cc1C 12759140 CRUJRDAYYBTVOD-SFHVURJKSA-N 353.462 4.113 10 50 FICA CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OC(C)=O 871897 SALBNMDAMZWDSY-WOJGMQOQSA-N 364.397 4.300 10 50 FICA O=C1/C(=C\c2ccc3c(c2)OCO3)C(c2ccccc2)=NN1c1ccccc1 5005917 QUCOKMFQHGPMOI-UYRXBGFRSA-N 368.392 4.250 10 50 FICA Cc1nc(NC(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)sc1C 1781783 PXWXOQMOTVOKLA-UHFFFAOYSA-N 364.426 4.078 10 50 FICA Oc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2c(F)cccc2F)C1 43041374 HFEGEVXOQDTDPI-HNNXBMFYSA-N 369.415 4.440 10 50 FICA CCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 4656216 QRFBNFTZKAQJND-UHFFFAOYSA-N 371.392 4.113 10 50 FICA CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S 4844565 QJGFDKZHQAGWBL-OQLLNIDSSA-N 374.443 4.384 10 50 FICA Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C(=O)O)CC2)c(C)n1-c1ccccc1 1875388406 ABAWCQPWQWTDPD-ZWKOTPCHSA-N 368.477 4.200 10 50 FICA COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H]3CCCCC3=O)ccc12 2251742 RIBSZKOJLYTFHW-LJQANCHMSA-N 352.386 4.154 10 50 FICA COc1ccc(OC)c(-c2ccc(O)c(CN(C)Cc3cscn3)c2)c1 11881149 CAJBVMBWBCWYNS-UHFFFAOYSA-N 370.474 4.165 10 50 FICA CC[C@@H](C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1165147 XAJKMEINQYDXCR-ZPBHHCQCSA-N 356.310 4.449 10 50 FICA Cc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)c(C)n1C 15011189 FDSNBTNTGONXSP-AQTBWJFISA-N 370.543 4.476 10 50 FICA CCN(CC)c1ccc(CN(C)CCc2ccc(OC)c(OC)c2)cc1 4981075 ITNUOBZVVCQYIR-UHFFFAOYSA-N 356.510 4.225 10 50 FICA CCCCOc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1 16699694 JFMNAARQFDZQBJ-SSZFMOIBSA-N 365.520 4.103 10 50 FICA CCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O 869275 HLJCTESVUQYBST-GOSISDBHSA-N 370.836 4.218 10 50 FICA CCOC(=O)c1c2c(n3cc4ccccc4cc13)C(=O)c1ccccc1C2=O 1122357 RNQSEZIILYYZBL-UHFFFAOYSA-N 369.376 4.045 10 50 FICA O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1 2570698 OKVPYOOXDLQGKR-ZROIWOOFSA-N 374.468 4.235 10 50 FICA CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 1142654 XROWXMOHEOXMPT-GDNBJRDFSA-N 374.443 4.466 10 50 FICA CN(C)c1ccc([C@H]2N=C(c3ccccc3)N=C(c3ccccc3)N2)cc1 1793574 IRJUWHQVVOWILX-UHFFFAOYSA-N 354.457 4.248 10 50 FICA CC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 920207 GHFNTNULGANKMO-UHFFFAOYSA-N 366.392 4.259 10 50 FICA O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C/C=C/c1ccccc1 310307 DLYVOLZHBCITLX-MBXCTOFRSA-N 350.399 4.023 10 50 FICA COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 759299 OLXGNOWLNYTGGA-QPEQYQDCSA-N 368.260 4.322 10 50 FICA COc1ccc(C2=C/C(=C3\c4ccccc4-c4ncccc43)C(=O)O2)cc1 1025719 VZNNERHCNPJJSG-VZCXRCSSSA-N 353.377 4.470 10 50 FICA CC(=O)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O 869267 MWOGDLJTXTYVOT-MRXNPFEDSA-N 361.228 4.473 10 50 FICA CCOc1cc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)ccc1O 13482124 DLRUGRPGYYZBIG-WJDWOHSUSA-N 372.471 4.019 10 50 FICA COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1OC(C)=O 624817 DEOHLIFPIZMPNM-UHFFFAOYSA-N 364.401 4.319 10 50 FICA COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1[N+](=O)[O-] 1207255 STMMFNYTJZSSRN-MDWZMJQESA-N 357.749 4.238 10 50 FICA CC1(C)CC2(CC(C)(C)c3cc(O)c(O)cc3O2)Oc2cc(O)c(O)cc21 1603646 SZUGPQFFJXSTDD-UHFFFAOYSA-N 372.417 4.026 10 50 FICA in-vitro CCOC(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC 4746017 JYDNSFXCQWVHSU-CQSZACIVSA-N 366.413 4.353 10 50 FICA CCN1CCCc2cc(CNC[C@@H]3CC[C@@H](c4ccccc4)O3)ccc21 2325872346 SVOQZLFWNJXWSQ-GMAHTHKFSA-N 350.506 4.469 10 50 FICA COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(OC)c1OC 1191106 STKGNHHJDMYFBI-BOPFTXTBSA-N 369.442 4.082 10 50 FICA COc1ccc2ccc(O)c(CN3C[C@@H](N(C)C)Cc4ccccc43)c2c1 750825622 OGXWIRFMEJDKTC-SFHVURJKSA-N 362.473 4.047 10 50 FICA CCCCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 13745126 NXFIGFKRVAACSL-UHFFFAOYSA-N 352.478 4.000 10 50 FICA CCc1cc2c(=O)c(Oc3ccc(F)cc3)coc2c(CN(C)C)c1O 623697 AUJJXGVUDWUTDP-UHFFFAOYSA-N 357.381 4.054 10 50 FICA O=C(Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccccc1 4610604 UHOBHCSUUYEDIQ-UHFFFAOYSA-N 361.784 4.368 10 50 FICA C[C@@H]1C[C@H](N[C@H](C)c2cccc(N3CCOC3=O)c2)c2c(O)ccc(F)c21 756455407 JVVFCQXVPOWJQY-XNJGSVPQSA-N 370.424 4.387 10 50 FICA Cc1cccc(NCN2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c1 334160934 PDQABRNZEOXNSA-YBEGLDIGSA-N 358.463 4.405 10 50 FICA Cc1nc(NCc2ccc(N3CCC[C@H](C)C3)cc2)c2c(C)noc2n1 95364454 RHYLSKASKAGFRZ-ZDUSSCGKSA-N 351.454 4.083 10 50 FICA O=C1C(=O)c2cc(Br)ccc2-c2ccc(Br)cc21 1674718 LTZIIBSPYWTOQV-UHFFFAOYSA-N 366.008 4.258 10 50 FICA in-vitro CCCCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)SC1=S 5502608 ZLSFNFDVOATYLQ-RVDMUPIBSA-N 351.493 4.182 10 50 FICA Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 1150826 ALEXVBNDLRHHKI-MHWRWJLKSA-N 370.455 4.305 10 50 FICA CC(=O)Nc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 16266552 UOMFIOXYBSNERB-WJDWOHSUSA-N 360.504 4.179 10 50 FICA Cc1[nH]c2ccccc2c1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 14009727 MKSAZAOPAFLXJY-LICLKQGHSA-N 351.793 4.227 10 50 FICA CCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S 1177381 PXALNZCJYXZSKV-GDNBJRDFSA-N 374.443 4.466 10 50 FICA O=C1/C(=C/c2ccco2)SC(=S)N1c1ccc(Br)cc1 1205040 ZSYQDCDARQLQHH-WQLSENKSSA-N 366.261 4.448 10 50 FICA COc1cccc(O)c1CN1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 14977377 CMCBTJXJEYNZRX-OAHLLOKOSA-N 359.853 4.149 10 50 FICA O=C1NC(=S)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1 15055786 BHVRLTMZAVTVHX-DHDCSXOGSA-N 361.875 4.408 10 50 FICA COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c2ccccc12 51186502 DAOXUZROMYNSRE-QGOAFFKASA-N 372.380 4.355 10 50 FICA CC(C)OC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 4037010 QSWWYYATOGIYCQ-UHFFFAOYSA-N 372.804 4.444 10 50 FICA O=C1c2ccccc2-c2onc3c(N4CCCC4)cc(N4CCCC4)c1c23 850330 PCLPUOXBFDNDFX-UHFFFAOYSA-N 359.429 4.240 10 50 FICA CN(C)c1c(Cl)c(Cl)c(Cl)c2c1C(=O)c1ccccc1C2=O 4785676 AZBSRVHTZIPWSB-UHFFFAOYSA-N 354.620 4.488 10 50 FICA COc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c1 1209365 AFPYLTGRKMJMES-DHDCSXOGSA-N 372.427 4.009 10 50 FICA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc(Cl)ccc1O 100499923 KZNAGJJLGIUXCZ-YBEGLDIGSA-N 355.825 4.381 10 50 FICA Oc1ccc2c(oc3c(-c4ccc5ncccc5c4)c4cn[nH]c4nc32)c1O 218247198 SVVMBKKVHNCPDW-UHFFFAOYSA-N 368.352 4.484 10 50 FICA CSc1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1ccccc1S2 19362651 RLJFTICUTYVZDG-GOSISDBHSA-N 356.560 4.404 10 50 FICA biogenic,world CN(C)c1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1 1139312 AIDYNLLDNVZAAJ-CYVLTUHYSA-N 366.486 4.422 10 50 FICA CN(C)c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 1194166 INMOEIAVBFTNGP-SFQUDFHCSA-N 354.500 4.154 10 50 FICA Cc1c(OCC(=O)OC(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 4027779 OBYGQONYNMPBSU-UHFFFAOYSA-N 352.386 4.099 10 50 FICA biogenic O=C1/C(=C\C=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccccc1 15011901 JPTDHANJQIAICR-CJQNLKEBSA-N 367.451 4.377 10 50 FICA CCCC[C@@H](CC)CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 2269057 AXPMOKYQFTXVJT-KXEGMRRWSA-N 374.531 4.427 10 50 FICA C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)C1 1065383 KQJHOGKVWKEPPW-HOXUKUGESA-N 365.296 4.151 10 50 FICA Oc1ccc(-c2ncccn2)cc1CN1CC=C(c2ccc(F)cc2)CC1 12327702 YDWWJOSYGACUCB-UHFFFAOYSA-N 361.420 4.278 10 50 FICA CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(F)cc1 14009355 VFPKWDSEWUSGFB-AQTBWJFISA-N 351.377 4.093 10 50 FICA Cc1ccc2nc([C@@H]3C(=O)c4ccc(Br)cc4C3=O)ccc2c1 100401665 SFNPDRBXDYCLRR-QGZVFWFLSA-N 366.214 4.469 10 50 FICA COc1cccc(-c2ccc(O)c(CNCc3cccc(Cl)c3)c2)n1 15001949 IDRLGNMNDMHTHY-UHFFFAOYSA-N 354.837 4.406 10 50 FICA CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1Br 102268830 CEZQOOQUIGTPAI-MJWGMMHASA-N 357.211 4.324 10 50 FICA CCc1cc2c(=O)c(Oc3ccccc3)c(C)oc2c(CN(C)C)c1O 632222 OHZAQYLTVSRWJL-UHFFFAOYSA-N 353.418 4.223 10 50 FICA CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3ccccc3O)C2)c1 12594868 WMYPRPBYYKEPIP-IBGZPJMESA-N 353.462 4.274 10 50 FICA Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccccc1O)CCO2 67867411 ZEWXCMAPULZHRO-UHFFFAOYSA-N 361.441 4.468 10 50 FICA COc1ccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)c(O)c1 12075893 XPWPIXMZWPXIPN-MRXNPFEDSA-N 359.853 4.149 10 50 FICA Oc1ccc(Cl)cc1C1=NN[C@H](c2ccc(Br)cc2)C1 1183007 JBAJCNIIEZQOCL-ZDUSSCGKSA-N 351.631 4.247 10 50 FICA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4455802 UTQBPXQPYZFHBY-MDZRGWNJSA-N 350.374 4.208 10 50 FICA CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 4457101 QMDDYIKIUMLOIK-JASJWYONSA-N 355.463 4.324 10 50 FICA CC(C)(C)c1cc(/C=C2\SC(=S)N(N)C2=O)cc(C(C)(C)C)c1O 15015649 USVUHCSRHRDBJJ-LCYFTJDESA-N 364.536 4.062 10 50 FICA CCC(=O)N[C@@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O 869274 HLJCTESVUQYBST-SFHVURJKSA-N 370.836 4.218 10 50 FICA Cc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 1147329 GVTBQGPCGQBEIM-XNTDXEJSSA-N 356.428 4.309 10 50 FICA COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)c1 11878820 XVUJJNYQWYPDAS-OAHLLOKOSA-N 359.853 4.149 10 50 FICA CCCCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5951687 YIGQVHGBAPUGIY-UHFFFAOYSA-N 351.855 4.113 10 50 FICA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1Cl 2919395 RSRHWJLCYRPSMG-NVNXTCNLSA-N 372.833 4.429 10 50 FICA CCCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 5503611 QOQPYNNYCKTIPB-FMIVXFBMSA-N 356.310 4.450 10 50 FICA COc1cccc(CN2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c1O 12073551 BHTYXZJYPWRIDI-HNNXBMFYSA-N 359.853 4.149 10 50 FICA OC[C@@]1(Cc2ccccc2F)CCCN(Cc2cc(Cl)ccc2O)C1 23379965 ZTIVERLRQWTYHD-HXUWFJFHSA-N 363.860 4.002 10 50 FICA Oc1ccc(Br)cc1C1=NN[C@@H](c2ccccc2Cl)C1 1454638 GNZYPZHXJPPMIJ-CYBMUJFWSA-N 351.631 4.247 10 50 FICA biogenic CN(Cc1ccccc1O)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 11843083 BAZWCZPZUVYXBB-LJQANCHMSA-N 372.940 4.432 10 50 FICA Cc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C=C(c1ccc(Cl)cc1)N2 100716815 PICOMHIBSZUSLZ-IBGZPJMESA-N 365.868 4.362 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 100148122 GUDOENKDQFFNED-CPNJWEJPSA-N 372.380 4.451 10 50 FICA Cc1ccc2c(c1)C(c1ccccc1)=NC1=S=C(c3ccccc3)C(=O)N12 334159195 FKBVHUCUANASOL-UHFFFAOYSA-N 368.461 4.234 10 50 FICA O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1C[C@@H]1CCCO1 13563029 QOFGHDLHDUWSQO-XSHGTHSTSA-N 374.314 4.374 10 50 FICA CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 15010112 BIRNGCWFKKPACU-BOPFTXTBSA-N 356.422 4.128 10 50 FICA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(F)cc1 12406664 XODAZRHTDJMHGR-ATVHPVEESA-N 353.353 4.320 10 50 FICA CN1/C(=C2/SC(=S)N(c3ccccc3)C2=O)Sc2ccccc21 33326714 KYHINKNLDQKZIC-PEZBUJJGSA-N 356.497 4.463 10 50 FICA COc1ccc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 755606 ZBHYFAYUXARXDP-UHFFFAOYSA-N 350.384 4.036 10 50 FICA Cc1ccc(C)c(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)c1 1435542 JQKWUOXZAIHBHW-UHFFFAOYSA-N 358.397 4.479 10 50 FICA O=C1NC(=S)S/C1=C/c1ccccc1OCCCOc1ccccc1 2828312 YIDURDWUPLABCA-GHRIWEEISA-N 371.483 4.023 10 50 FICA CCCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=S 4579218 BWLIQKXGEJKGFK-RVDMUPIBSA-N 351.493 4.095 10 50 FICA CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)OC(C)C 1177496 MNKZWNSIHFSTKF-UHFFFAOYSA-N 366.413 4.353 10 50 FICA COc1ccc(Cl)cc1NCc1cc(Br)cc(OC)c1O 2383661 LIRVVIJTBOOFSD-UHFFFAOYSA-N 372.646 4.437 10 50 FICA COC[C@@H](C)NC1CCN(c2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 23544031 DZCPFVTYZIHPIF-QGZVFWFLSA-N 363.505 4.428 10 50 FICA CCOC(=O)c1c(NCc2cc(Cl)ccc2O)sc2c1CCC2 708892 OTEVROLOXLACRV-UHFFFAOYSA-N 351.855 4.385 10 50 FICA O=C(O)CCCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1916917 FEMGBXUNOYSLPO-GDNBJRDFSA-N 374.487 4.014 10 50 FICA CCCCCCN1C(=O)/C(=C2/C(=O)N(CC)c3ccccc32)SC1=S 2672925 WEIHCIUUPHSBDT-NXVVXOECSA-N 374.531 4.205 10 50 FICA COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 3969208 BOXOMUAUXSNELE-LFIBNONCSA-N 371.234 4.264 10 50 FICA CCc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(C)=C2C(=O)OC)cc1 16213279 FSYNPKIJGYFZFF-RGEXLXHISA-N 353.462 4.254 10 50 FICA CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S 2208431 ISRVKVPJRCOROF-SQFISAMPSA-N 363.504 4.011 10 50 FICA CCOc1ccc(Oc2c(C)oc3c(CN(C)C)c(O)ccc3c2=O)cc1 19902473 PGFGHGFLFHDYKX-UHFFFAOYSA-N 369.417 4.060 10 50 FICA O=C(O)c1ccc2nc(-c3ccccc3O)c(-c3ccccc3O)nc2c1 4517840 IJTQJAGPUCIEKD-UHFFFAOYSA-N 358.353 4.073 10 50 FICA Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3C(C)(C)C)C2=O)cc1 2813024 NWTDTZKLVXAJLE-FOWTUZBSSA-N 351.406 4.058 10 50 FICA CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1O 13615176 KSGNOHQIYOTGJE-WJDWOHSUSA-N 363.504 4.325 10 50 FICA COc1ccc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 2855428 YLVAZCRXBCEKRV-UHFFFAOYSA-N 359.857 4.011 10 50 FICA O=C1c2ccccc2C(=O)c2c1cc(Nc1ccccc1)c1nsnc21 3894056 QYLGCRWVFPYNHC-UHFFFAOYSA-N 357.394 4.210 10 50 FICA CC(=O)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O 869266 MWOGDLJTXTYVOT-INIZCTEOSA-N 361.228 4.473 10 50 FICA O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(Cl)cc1 4524133 FWEOSNAIGIXENV-RIYZIHGNSA-N 363.847 4.157 10 50 FICA Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1C 1189228 IDYSCYQITOLSGZ-MFOYZWKCSA-N 369.467 4.438 10 50 FICA COC(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4123396 YKZHAZVIJJIWCC-RLFYNMQTSA-N 350.374 4.208 10 50 FICA CN1CCCc2cc(CNCc3cc(-c4cccnc4)ccc3O)ccc21 299765301 AAGRRHREHMBONQ-UHFFFAOYSA-N 359.473 4.126 10 50 FICA c1ccc(-c2ncc3c(n2)CCC[C@@H]3NCc2ccc3c(c2)CCO3)cc1 12209865 QWWLJCBVPNPQEQ-FQEVSTJZSA-N 357.457 4.246 10 50 FICA O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 2883629 HMYBOJRMGBRYMD-GLJUWKHASA-N 353.805 4.109 10 50 FICA CCCCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S 6042125 HSPYHPHLKNVWCU-FOWTUZBSSA-N 365.520 4.485 10 50 FICA Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c1 12462780 OYSLYNBPTRVEIB-SFQUDFHCSA-N 354.500 4.467 10 50 FICA CCOC(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 622074 UDMVXRUFKPOANX-GFCCVEGCSA-N 372.804 4.444 10 50 FICA Cc1cc(C(=O)N(C)[C@H]2CCC[C@H](C(=O)O)CC2)c(C)n1-c1ccccc1 1875388405 ABAWCQPWQWTDPD-ROUUACIJSA-N 368.477 4.200 10 50 FICA CC(=O)Oc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 1159796 HIWHJLZWQQQGJN-BOPFTXTBSA-N 369.467 4.326 10 50 FICA Cc1cc(Br)cnc1NCc1cc(Br)ccc1O 19800864 OLLUNRPGAWJBQA-UHFFFAOYSA-N 372.060 4.233 10 50 FICA CSc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1 15010817 JJTRAMVSINZDKO-DHDCSXOGSA-N 358.513 4.205 10 50 FICA O=C(Cc1ccccc1)N[C@H](c1ccccc1)c1ccc2cccnc2c1O 970914 UFBVIJHBWGURQK-JOCHJYFZSA-N 368.436 4.389 10 50 FICA COC(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 1150218 YKZHAZVIJJIWCC-RVKKMQEKSA-N 350.374 4.208 10 50 FICA COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(OC)c1 1195830 TUGCHBLSIXVFLH-LICLKQGHSA-N 371.483 4.105 10 50 FICA O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CCc1ccccc1 19912884 XGQCTTAIFOXQEN-FOWTUZBSSA-N 370.455 4.039 10 50 FICA CC1CCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)CC1 706010 FZZJALLSBIDNJI-UVTDQMKNSA-N 365.296 4.151 10 50 FICA Oc1ccc2c(oc3c(C4=Cc5ccccc5OC4)c4cn[nH]c4nc32)c1O 217905233 UQFRUNRVGLYUAB-UHFFFAOYSA-N 371.352 4.202 10 50 FICA biogenic Cc1[nH]c2ccccc2c1/C=C1/C(=O)N(C2CCCCC2)C(=S)N=C1O 16225263 NPGAREKORLBEDS-LFIBNONCSA-N 367.474 4.276 10 50 FICA CSc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 1268587 GNCMZNVHBFEIIX-JLHYYAGUSA-N 372.446 4.219 10 50 FICA O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1CCC1CCCC1 15011113 WRGSJGRNOJPFHQ-PTNGSMBKSA-N 362.476 4.376 10 50 FICA COc1ccccc1Oc1ncccc1CNCc1ccc2c(c1)CCO2 55052955 BEPIWNMRXQKEQT-UHFFFAOYSA-N 362.429 4.107 10 50 FICA Oc1ccc(-c2cnccn2)cc1CN1CC=C(c2ccc(F)cc2)CC1 12134813 RSNJNYDFUIGQNA-UHFFFAOYSA-N 361.420 4.278 10 50 FICA CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 822896 DSNPXSJQTRSDDX-CXUHLZMHSA-N 361.228 4.404 10 50 FICA COc1cccc(-c2ccc(O)c(CNCCc3cccc(Cl)c3)c2)n1 299780666 BPMKSOGKKSTNMG-UHFFFAOYSA-N 368.864 4.449 10 50 FICA CC(C)C(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 855799 MROBCDLTWRYMBK-FQEVSTJZSA-N 364.401 4.315 10 50 FICA Cc1ccccc1COc1ccccc1/C=C1/SC(=S)N(C)C1=O 1179639 VLBPFDAODKFNQC-GZTJUZNOSA-N 355.484 4.405 10 50 FICA CC(C)n1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)c2ccccc21 1186493 FGGYCJYFRQJLEP-UHFFFAOYSA-N 355.434 4.468 10 50 FICA O=C(Nc1ccc(Cl)c2c1C(=O)c1ccccc1C2=O)c1ccccc1 3875541 FNCVZYRPXOZNSM-UHFFFAOYSA-N 361.784 4.368 10 50 FICA C[C@@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1cc(F)ccc1O 756512007 VBHRATTZRJDCLT-CQSZACIVSA-N 365.408 4.029 10 50 FICA COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1Cl 1196702 UWYQQZGKMJZQEQ-ATVHPVEESA-N 367.832 4.213 10 50 FICA Cc1cccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1 15836398 VFYKLVDCHQPRBA-GQECEEOXSA-N 352.463 4.194 10 50 FICA COc1ccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 55053901 UNZMZNMYEODLJT-UHFFFAOYSA-N 365.502 4.141 10 50 FICA COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Cl)cc1 657287 DCNNXHXQJZGLKV-PTNGSMBKSA-N 371.795 4.356 10 50 FICA COc1ccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1 55543308 QBCWQYPCUVSTRL-UHFFFAOYSA-N 351.277 4.324 10 50 FICA COc1cc(Cl)c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 14011443 SPGZNAVOXFILPB-DHDCSXOGSA-N 356.809 4.163 10 50 FICA C[C@H](NCCc1nc(-c2ccncc2)cs1)c1c(O)cc(F)cc1F 1875259828 ZLQODNPYNIGWKR-NSHDSACASA-N 361.417 4.082 10 50 FICA Cc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] 13546279 DWIMUMUNSSWNKG-XNTDXEJSSA-N 362.476 4.437 10 50 FICA COc1ccccc1N1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O 1161933 OFLDTXUSAXHVIA-ATVHPVEESA-N 354.431 4.002 10 50 FICA CC(=O)c1cccc(NC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 96140559 KCKCHCRRGBWYOH-MRXNPFEDSA-N 365.477 4.447 10 50 FICA Cc1ccc(S(=O)(=O)Nc2c(C)c(Cl)c(O)c(Cl)c2C)cc1 823281 BUDMRIYKISQLLC-UHFFFAOYSA-N 360.262 4.425 10 50 FICA CCOc1ccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1 16676024 XLTWKZGRZRXQRO-PTNGSMBKSA-N 352.386 4.084 10 50 FICA C[C@@H]1CCCN(Cc2c(O)c(Cl)cc3c4c(c(=O)oc23)CCCC4)C1 19912152 UUEGAQAXSCEANP-GFCCVEGCSA-N 361.869 4.263 10 50 FICA Cc1cccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)c1 1191612 LIEBZWMQVJUSPW-GDNBJRDFSA-N 356.428 4.309 10 50 FICA CN(Cc1ccccc1O)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 11843082 BAZWCZPZUVYXBB-IBGZPJMESA-N 372.940 4.432 10 50 FICA CN(C)c1ccc(/C=C/CN2CCN(c3ccc(Cl)cc3)CC2)cc1 757268 BHVFPAVVNWPJJI-ONEGZZNKSA-N 355.913 4.241 10 50 FICA O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)cc1 977973 VKRMFLNIQTUUOM-ZROIWOOFSA-N 360.391 4.140 10 50 FICA CCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)cc1 1136785 PQZMVUGTHCIFBH-YBEGLDIGSA-N 357.456 4.066 10 50 FICA O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1Cl 4121739 OXTNQKFXUFNLGY-UHFFFAOYSA-N 361.784 4.368 10 50 FICA COc1ccc(/C=C2/SC(S)=NC2=O)cc1OCc1ccc(C)cc1 8373002 HXNYAPUSDBLEIN-LICLKQGHSA-N 371.483 4.483 10 50 FICA COc1ccc(CN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 1164311 VWJDRKKVBRMIMR-YBEGLDIGSA-N 359.447 4.236 10 50 FICA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Cl)cc1 18250793 BRBJDXUMSRSMBR-GZTJUZNOSA-N 370.796 4.357 10 50 FICA Oc1c(Br)cc(Br)cc1CNCc1ccccc1 20366800 MDKSHONLJQRSSQ-UHFFFAOYSA-N 371.072 4.207 10 50 FICA Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 71375583 YTFQTEUYEFZYAT-KRWDZBQOSA-N 358.507 4.025 10 50 FICA O=[N+]([O-])c1ccc(O)c(C2N(c3ccccc3)CCN2c2ccccc2)c1 36008094 HZBXMIHYLIPDSH-UHFFFAOYSA-N 361.401 4.326 10 50 FICA COc1cc(O)c(CN2CCCCC2)c2oc(-c3ccccc3)cc(=O)c12 12893774 HBLJFCORVKJCRO-UHFFFAOYSA-N 365.429 4.160 10 50 FICA biogenic O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1CCc1ccccc1 33350703 QNWXLNNCQXTAER-FOWTUZBSSA-N 370.455 4.039 10 50 FICA COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(OC)c1OC 1196325 XWTRDRVQSUBRQL-SXGWCWSVSA-N 352.386 4.002 10 50 FICA OCC1(CCc2ccccc2)CCN(Cc2cc(Cl)ccc2O)CC1 12302150 XXOUKAQMQKDUCV-UHFFFAOYSA-N 359.897 4.253 10 50 FICA CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(O)c(CN(C)C)c12 2940858 QUXNTLCQMWQBGC-UHFFFAOYSA-N 366.461 4.191 10 50 FICA Cc1ccccc1NC(=O)CC1(c2ccccc2)C(=O)c2ccccc2C1=O 753765 YHAQUSCYJPIGSU-UHFFFAOYSA-N 369.420 4.341 10 50 FICA CCc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1 4837034 OPMAEOOCXAVUKX-YBEGLDIGSA-N 368.820 4.407 10 50 FICA CC1(C)Cc2ccccc2/C(=C(\N=N\c2cccc(Cl)c2)C(N)=O)N1 100508300 WSTUZFYULZTRSV-IFNFSJRCSA-N 354.841 4.202 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 100545997 JPUBJWZCDBDBPT-XSFVSMFZSA-N 372.384 4.192 10 50 FICA Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)cc1C 1207192 DMEXPGJTLJHCRQ-SXGWCWSVSA-N 357.456 4.120 10 50 FICA CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@@H](C)C(=O)OC 633875 WJFDVCZUMCWMKZ-AWEZNQCLSA-N 366.413 4.353 10 50 FICA O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1C[C@H]1CCCO1 1191895 QVRVETVKJVEFIG-QAEAHILHSA-N 355.484 4.220 10 50 FICA Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 71375584 YTFQTEUYEFZYAT-QGZVFWFLSA-N 358.507 4.025 10 50 FICA Cc1cc(/C=C2/SC(=S)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1061814 PVEAHQYFKKGFKQ-RIYZIHGNSA-N 359.432 4.331 10 50 FICA Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)SC2=S)c1C 1208818 IDXDVJJMRSULPJ-SXGWCWSVSA-N 357.456 4.120 10 50 FICA COC(=O)c1sc2nc(-c3ccc(C)o3)cc(C(F)(F)F)c2c1N 663824 AXIKLBJUWLTGBH-UHFFFAOYSA-N 356.325 4.252 10 50 FICA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4117264 LOHBBPBNYCISPQ-TXPKVOOTSA-N 363.417 4.123 10 50 FICA O=C(c1ccc(F)cc1)c1coc2ccc(O)c(CN3CCCCC3)c12 253410887 NXGRYSCDCXEIKX-UHFFFAOYSA-N 353.393 4.494 10 50 FICA Cc1cccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)c1C 1086549 CFOMKCDPEBIORI-NXVVXOECSA-N 366.467 4.032 10 50 FICA COc1cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)ccc1O 16676002 WHBSRESIJRYTLB-JYRVWZFOSA-N 373.202 4.145 10 50 FICA CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4844786 PMVGVKOSBXLZDM-CHHVJCJISA-N 354.793 4.183 10 50 FICA COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC 13304509 KXAHBYJSNLQMHN-YBEGLDIGSA-N 356.809 4.163 10 50 FICA O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1ccccc1 1206027 OEODAIQNQROOJM-FLIBITNWSA-N 366.261 4.448 10 50 FICA COC(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 871782 YKZHAZVIJJIWCC-HDMKZQKVSA-N 350.374 4.208 10 50 FICA COc1ccc(O)c([C@@H](C)Nc2nc(C)nc3sc4c(c23)CCC4)c1 728909471 YSFFKMYEEQGCHI-SNVBAGLBSA-N 355.463 4.376 10 50 FICA Cn1c(-c2ccccc2)c(/C=C2\SC(=S)NC2=O)c2ccccc21 4713690 HJIOCPDETIRKPT-WJDWOHSUSA-N 350.468 4.334 10 50 FICA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@H]2[C@@H]1c1ccc(C)cc1 19733334 GFURRXDWVJZLMS-UXHICEINSA-N 359.425 4.231 10 50 FICA COc1ccccc1N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1748945 QEQDCEXUJOLVLZ-GDNBJRDFSA-N 372.427 4.009 10 50 FICA COc1ccc2c(c1)CCCN2Cn1nc(-c2ccccc2)n(C)c1=S 716264 OIADBMXOYZFJEL-UHFFFAOYSA-N 366.490 4.037 10 50 FICA CCN1C(=O)/C(=C\C=C\c2ccc(Br)cc2)SC1=S 15011896 SLPFZUHZKFYKIZ-ZDHPXMGNSA-N 354.294 4.226 10 50 FICA COc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1[N+](=O)[O-] 5024312 YEZKVNJMHLQZIH-LICLKQGHSA-N 365.389 4.026 10 50 FICA O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1Cc1ccco1 1149660 QLFBNKKZYMBJRY-QPEQYQDCSA-N 351.836 4.040 10 50 FICA Cc1c(N[C@H](C)c2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C 1306471 MLDSDLUHNPQCFG-GFCCVEGCSA-N 357.841 4.017 10 50 FICA Cc1cc(C(=O)Nc2ccc([S@@](C)=O)cc2)c(C)n1-c1ccccc1F 225419692 ONFNEZZJJSHAJY-AREMUKBSSA-N 370.449 4.223 10 50 FICA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@@H]1CC=C[C@@H]31 169682584 LBDYSHXIVYPQCI-IBDZOAASSA-N 372.262 4.055 10 50 FICA O=C1NN=C(c2ccccc2)C1=CNc1ccc(Oc2ccccc2)cc1 2040736883 NOANYASSDBRCJB-UHFFFAOYSA-N 355.397 4.309 10 50 FICA CCCOc1ccc(CN2CCC(c3ccccc3CO)CC2)c(O)c1 2325749400 WOHDRFJLESFFIM-UHFFFAOYSA-N 355.478 4.053 10 50 FICA Oc1ccccc1CN1CCC(c2[nH]ncc2CCc2ccccc2)CC1 12097915 LFQMAPQOOMXDJG-UHFFFAOYSA-N 361.489 4.280 10 50 FICA COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 101199873 NEOFHRGSRDCPJN-MDZRGWNJSA-N 352.390 4.439 10 50 FICA COc1cc(N2COc3cc(C)c(Cl)c(C)c3C2)cc(OC)c1OC 4412624 JBJKJFPEWVVUDU-UHFFFAOYSA-N 363.841 4.339 10 50 FICA COc1ccc(/C=C2/SC(S)=NC2=O)cc1COc1ccccc1 8161388 USKOSYABOFENBX-MHWRWJLKSA-N 357.456 4.174 10 50 FICA CN(C)c1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)cc1 16193494 NGRRBNDHUXMJJH-PTNGSMBKSA-N 370.246 4.496 10 50 FICA COc1ccc(OC)c(-c2ccc(O)c(CN(C)Cc3cc(C)no3)c2)c1 12451558 ILQYTJDVYIZZCR-UHFFFAOYSA-N 368.433 4.005 10 50 FICA CCCCn1c(C)c(C(=O)OCC)c2c(CN3CCCC3)c(O)ccc21 2339512 JYLBWKWLECJJOJ-UHFFFAOYSA-N 358.482 4.228 10 50 FICA COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)c(Cl)cc1O 1135595 RICOOPWVVQPUPK-OVCLIPMQSA-N 356.809 4.169 10 50 FICA Cc1ccc(/C=C/C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 4614254 VDSBMLKOKNJVKD-BUHFOSPRSA-N 367.404 4.422 10 50 FICA COc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1Cl 1136126 HYSRZPVMHCRCMR-AUWJEWJLSA-N 362.863 4.149 10 50 FICA O=S(=O)(Nc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1O 197056253 AJYHTQZBBJOKTJ-UHFFFAOYSA-N 352.626 4.153 10 50 FICA Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 1132708 WFNLNMITCCCODL-PDGQHHTCSA-N 352.459 4.298 10 50 FICA Cc1ccc(COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 1181019 DMKCBXGCZLWXEM-GZTJUZNOSA-N 355.484 4.405 10 50 FICA COc1cc(/C=C2/SC(NC3CCCCC3)=NC2=O)ccc1OC(C)C 206994242 NJFXHIUGIKAFFR-LDADJPATSA-N 374.506 4.375 10 50 FICA CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccco1 12731629 JIDXHGRXMZMRIL-PDGQHHTCSA-N 351.402 4.164 10 50 FICA C[C@H](N[C@@H]1C[C@@H](C)c2c(F)ccc(O)c21)c1cccc(N2CCOC2=O)c1 756455405 JVVFCQXVPOWJQY-IIYDPXPESA-N 370.424 4.387 10 50 FICA C[C@H](NCc1ccc(NC(=O)c2ccncc2)cc1)c1cc(F)ccc1O 756512006 VBHRATTZRJDCLT-AWEZNQCLSA-N 365.408 4.029 10 50 FICA CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 4844617 XGEJPEABTXYMMY-SXGWCWSVSA-N 355.781 4.363 10 50 FICA Cc1noc(/C=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1[N+](=O)[O-] 16268351 CMMPQUIJUMCSBU-TWGQIWQCSA-N 367.361 4.167 10 50 FICA CC(=O)c1cc(CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cs1 217125244 DSLILLNALGUWLT-OAHLLOKOSA-N 370.518 4.046 10 50 FICA CCCC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 855794 FMXVMBNLDNNXGX-OAQYLSRUSA-N 364.401 4.459 10 50 FICA O=C1N=C(O)/C(=C/c2cccc3ccccc23)C(=O)N1c1ccccc1F 16994750 ZMJLZZQHKHFDCY-VBKFSLOCSA-N 360.344 4.486 10 50 FICA Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1C 1002948 BYJPXBAYKZKCHY-NXVVXOECSA-N 366.467 4.032 10 50 FICA Nc1c(C(=O)c2ccc(O)c(O)c2)sc2nc(-c3ccccc3)ccc12 220967861 AYRKZXNYZCZLJC-UHFFFAOYSA-N 362.410 4.188 10 50 FICA NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 238856627 WPWIDJZINYHXRY-UHFFFAOYSA-N 350.384 4.428 10 50 FICA CC(C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(O)ccc2ccccc12 855802 XDKCWAFOHBGELE-JOCHJYFZSA-N 362.473 4.473 10 50 FICA COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(N(C)C)cc2)cc1 1145134 NCXCUNNOQJFYRA-UHFFFAOYSA-N 364.445 4.236 10 50 FICA O=C(C(=O)c1cccc(Br)c1)c1cccc(Br)c1 2567516 XDYSRWNBAYVIGW-UHFFFAOYSA-N 368.024 4.277 10 50 FICA O=C1Nc2ccccc2/C1=C1\C(=O)N(Cc2ccccc2)c2ccccc21 22542229 RFZMVZRSUDDQTJ-QZQOTICOSA-N 352.393 4.096 10 50 FICA Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1C 4460737 RKHRDLLJIGLDGW-UYRXBGFRSA-N 358.397 4.025 10 50 FICA COc1ccc(O)c([C@H](C)Nc2nc(C)nc3sc4c(c23)CCC4)c1 728909469 YSFFKMYEEQGCHI-JTQLQIEISA-N 355.463 4.376 10 50 FICA CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(CCOC)C1=O 13940147 HRMMJVYKHHHAAL-ATVHPVEESA-N 373.499 4.086 10 50 FICA Cc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C(=O)O)CC2)c(C)n1-c1ccccc1 1875388404 ABAWCQPWQWTDPD-QZTJIDSGSA-N 368.477 4.200 10 50 FICA CCOc1ccccc1N1C(=O)/C(=C/c2ccccc2OC)SC1=S 1136355 SLPOMNXMWWNWGN-ATVHPVEESA-N 371.483 4.500 10 50 FICA CCN(CC)c1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1 55292186 ZLXSJRUVGHXWSH-UHFFFAOYSA-N 351.538 4.472 10 50 FICA Cc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 5339967 XQAUZFHHMQOBRX-XNTDXEJSSA-N 356.428 4.309 10 50 FICA CCOc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O 16693266 MPICUSPNCOUZOF-WJDWOHSUSA-N 371.483 4.192 10 50 FICA CN(C)c1ccc(/C=C/CN2CCN(c3cccc(Cl)c3)CC2)cc1 4980746 UCLMSDMQRMSBKB-SNAWJCMRSA-N 355.913 4.241 10 50 FICA CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1O 15016275 KPKAOQKRHVJBMG-DHDCSXOGSA-N 356.809 4.250 10 50 FICA COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccs1 1126222 LEBBCXBQRWNYJN-RAXLEYEMSA-N 359.834 4.279 10 50 FICA COc1ccc2ccc(O)c(CN3C[C@H](N(C)C)Cc4ccccc43)c2c1 750825618 OGXWIRFMEJDKTC-GOSISDBHSA-N 362.473 4.047 10 50 FICA COc1ccc(OC)c(-c2ccc(O)c(CN(C)[C@@H](C)c3ccon3)c2)c1 15003860 AEESSBXNYSEXJI-AWEZNQCLSA-N 368.433 4.257 10 50 FICA COc1cc(Br)c(O)c(CNCc2ccc3ccoc3c2)c1 2325725432 KBJWERIBJXJQQI-UHFFFAOYSA-N 362.223 4.199 10 50 FICA CC(C)COC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 952251 FBYQHVAJPCFVTB-UHFFFAOYSA-N 352.386 4.038 10 50 FICA Cc1ccc(NC2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1Cl 1202985 OMILXURXMSKPMX-APSNUPSMSA-N 372.833 4.460 10 50 FICA O=C1/C(=C/c2ccco2)SC(=S)N1c1cccc(Br)c1 1002889 IKMYUUSCSUAPQZ-WQLSENKSSA-N 366.261 4.448 10 50 FICA O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1 170618140 TXYALZNAXHNXPN-UHFFFAOYSA-N 371.845 4.372 10 50 FICA C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)C1 1065387 KQJHOGKVWKEPPW-RLIURORJSA-N 365.296 4.151 10 50 FICA COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(F)cc1 1163551 LSIBOFZDURMICE-BOPFTXTBSA-N 371.795 4.356 10 50 FICA CCOc1cccc(CN(C)[C@H]2CCCN(Cc3ccccc3F)C2)c1O 23359779 IYSRPKGRWHOZSL-IBGZPJMESA-N 372.484 4.026 10 50 FICA CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\NOCc1ccccc1 101010152 YTPCWEBPIPCHNV-STZFKDTASA-N 357.413 4.168 10 50 FICA CC(C)CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 5497864 SALMEWMUDZRBAY-KPKJPENVSA-N 356.310 4.306 10 50 FICA CCN1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)C(O)=NC1=S 1128637 IVPKXRCXTKDGQJ-LFIBNONCSA-N 359.495 4.097 10 50 FICA O=C(O)c1cccc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c1 1134804 XPRUWPQTJSJVDS-MBXCTOFRSA-N 367.451 4.347 10 50 FICA Oc1ccc(-c2ccc(F)cc2)cc1CNCc1ccc2c(c1)OCO2 14986963 QZZTUSIVCXVHDR-UHFFFAOYSA-N 351.377 4.217 10 50 FICA O=c1c(-c2ccc(F)cc2)coc2c(CN3CCCCC3)c(O)ccc12 57312218 LMPXPTNHVNDVIY-UHFFFAOYSA-N 353.393 4.291 10 50 FICA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1 299778718 NWSUNFJCHZFKAM-HXUWFJFHSA-N 366.505 4.140 10 50 FICA CC(C)c1nc(CN(C)C2CCN(c3ccc4c(c3)OCO4)CC2)cs1 1506401253 YTUFSONPGKPZJF-UHFFFAOYSA-N 373.522 4.096 10 50 FICA CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S 5471707 BWAWMJRGHPMBSJ-NTEUORMPSA-N 360.416 4.076 10 50 FICA CC(=O)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 3902992 OBLQNJNKGRWMRW-LFIBNONCSA-N 355.440 4.018 10 50 FICA O=C(c1cc(F)ccc1F)[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 12094501 YIKXTQDHQZHFCC-LBPRGKRZSA-N 365.807 4.419 10 50 FICA Cc1ccc(S(=O)(=O)c2ccc(CNc3ccc(N)cc3)cc2)cc1 640697 QOJKOQONDXXYDC-UHFFFAOYSA-N 352.459 4.022 10 50 FICA O=C(COc1ccccc1)N[C@H](c1ccco1)c1c(O)ccc2ccccc12 2921380 XTQQOXQMSXHJKA-HSZRJFAPSA-N 373.408 4.423 10 50 FICA O=C(NC1CCCCCCC1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4707473 RPBBBRJMCYXIMS-UHFFFAOYSA-N 364.449 4.370 10 50 FICA COc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1227785 ZZKVYXCGNUEDEY-ATVHPVEESA-N 370.499 4.167 10 50 FICA CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1cccc(Br)c1 1857524834 XTUVLXJHROHSBH-UHFFFAOYSA-N 370.250 4.476 10 50 FICA O=C1c2ccccc2C(=O)c2c1oc(C(F)(F)F)c2C(=O)c1ccccc1 978111 ULQVKUHBMBQQPE-UHFFFAOYSA-N 370.282 4.305 10 50 FICA CC(=O)Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 1173835 HVUWMGZGVQEQCC-GZTJUZNOSA-N 369.467 4.013 10 50 FICA COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)c1 12443502 IMKUUNVABJCLRN-OAHLLOKOSA-N 371.502 4.218 10 50 FICA COc1cccc(O)c1CN1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 11999746 NOKDNSHRGFDHBX-HNNXBMFYSA-N 373.880 4.458 10 50 FICA O=C1/C(=C/[C@@H]2CC=CCC2)SC(=S)N1Cc1ccc2c(c1)OCO2 1103633 CFRMWNKIVCISAR-DZZSIBQASA-N 359.472 4.016 10 50 FICA CCCCCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 5502042 RFUDOUMJWBAJHX-LFIBNONCSA-N 365.520 4.485 10 50 FICA COc1cc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1O 15016124 FPANQRGXEUPSMG-SXGWCWSVSA-N 374.849 4.445 10 50 FICA Cc1cc(OCc2cc(C(=O)O)oc2C)c2c3c(c(=O)oc2c1)CCCC3 4028275 VBNNMGWQAMSGJG-UHFFFAOYSA-N 368.385 4.159 10 50 FICA biogenic O[C@@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1cccc2cccnc12 6222866 PTMSXLLKZVHHKE-GOSISDBHSA-N 357.335 4.100 10 50 FICA c1coc(-c2cc(CNC3CCN(c4ccc5c(c4)CCC5)CC3)no2)c1 1506404201 YPFILMCKGYJMMD-UHFFFAOYSA-N 363.461 4.182 10 50 FICA CCN1C(=O)/C(=C\c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC1=S 4524121 RQEAOLOTDKTWSG-WEVVVXLNSA-N 363.247 4.123 10 50 FICA Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 13603233 JQMHEYNCNOYIOB-SFQUDFHCSA-N 354.500 4.467 10 50 FICA Cc1cccc2cc(/C=C3\SC(S)=NC3=O)c(N3CCCCC3)nc12 1258067 RQVXKKVCGSUEHL-PTNGSMBKSA-N 369.515 4.434 10 50 FICA COc1ccc(N2CCN(C(=O)CCc3ccc(C(C)C)cc3)CC2)cc1 10315350 VPOMGEFSAFBFHU-UHFFFAOYSA-N 366.505 4.100 10 50 FICA CN(C)Cc1cc(CN2CCC[C@H](CCc3ccc(F)cc3)C2)ccc1O 71759001 CCCNGGILGXDTGM-LJQANCHMSA-N 370.512 4.438 10 50 FICA C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1cccc(C(F)(F)F)c1O 252485914 HFARLPLTUIPMEC-CHWSQXEVSA-N 359.388 4.137 10 50 FICA CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 1908041 YZOAMOCEZGKPBH-ATVHPVEESA-N 371.483 4.500 10 50 FICA Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccc(N(C)C)cc1)N2 100716766 JRNPGDLNLMYTQY-IBGZPJMESA-N 365.868 4.362 10 50 FICA COc1cccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)c1 1221183 PGMDJOSBNSFQHZ-DHDCSXOGSA-N 372.427 4.009 10 50 FICA CCCCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=S 17919528 BGLQWLIDIUXVSI-FYWRMAATSA-N 350.534 4.448 10 50 FICA CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(OCC)c1 1194965 DGDXDMDPJHXLHM-CPNJWEJPSA-N 350.418 4.290 10 50 FICA C[C@@H](NC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1)c1ccccc1 4623099 YJIQVFDVDYXZEI-OAHLLOKOSA-N 358.401 4.018 10 50 FICA CC1(C)OC(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)O1 1140265 HWNHOAULQMLLBQ-UHFFFAOYSA-N 367.184 4.473 10 50 FICA Cc1ccc(Cn2cc(/C=C3\SC(=S)NC3=O)c3ccccc32)cc1 15800578 OENDIHZDDKQTEF-ZDLGFXPLSA-N 364.495 4.487 10 50 FICA Cc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C=C(c1ccc(Cl)cc1)N2 100716812 PICOMHIBSZUSLZ-LJQANCHMSA-N 365.868 4.362 10 50 FICA O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(Cl)ccc1Cl 1213471 ZSGFWEYYSDMTEJ-UHFFFAOYSA-N 352.626 4.153 10 50 FICA COc1ccc(O)c(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)c1 12443504 IMKUUNVABJCLRN-HNNXBMFYSA-N 371.502 4.218 10 50 FICA COC(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 13389235 YKZHAZVIJJIWCC-IIDMSEBBSA-N 350.374 4.208 10 50 FICA COc1cccc(CN2CCC[C@H](C(=O)c3ccccc3SC)C2)c1O 12022003 CQKROLADHYXHMZ-HNNXBMFYSA-N 371.502 4.218 10 50 FICA CCOC(=O)[C@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC 4746014 JYDNSFXCQWVHSU-AWEZNQCLSA-N 366.413 4.353 10 50 FICA Oc1c(O)c(CN2CCCCC2)c2ccccc2c1CN1CCCCC1 756483 BQIGPDXODJYUKC-UHFFFAOYSA-N 354.494 4.223 10 50 FICA COc1cccc(/C=C2\SC(S)=NC2=O)c1OCc1ccccc1 2532828 VECYDIQLHSUOKJ-GDNBJRDFSA-N 357.456 4.174 10 50 FICA CCOc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 4628641 FMHAKBHQIPGHJJ-UHFFFAOYSA-N 371.392 4.113 10 50 FICA CC[C@H](C)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 1165149 XAJKMEINQYDXCR-RILYUOAZSA-N 356.310 4.449 10 50 FICA CC(C)(C)n1cccc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 32667575 WEUZIYNGVVKWME-ACCUITESSA-N 371.437 4.054 10 50 FICA OCCN(CCO)c1ccc(/N=N/c2cc(Cl)ccc2Cl)cc1 5252536 VRVWCUFMZZRLKE-FMQUCBEESA-N 354.237 4.200 10 50 FICA CN(Cc1ccon1)Cc1cc(-c2nc3ccccc3s2)ccc1O 15072708 KGSHTLMUJKULOA-UHFFFAOYSA-N 351.431 4.289 10 50 FICA C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 68462857 KOUBNHFPLHOBBM-CQSZACIVSA-N 359.857 4.059 10 50 FICA C[C@@H]1C(=O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@H]1c1ccc(N(C)C)cc1 13510726 MBRDKMVQLAQSMB-FHTPNYMGSA-N 365.521 4.046 10 50 FICA O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)cc1 977972 VKRMFLNIQTUUOM-NTEUORMPSA-N 360.391 4.140 10 50 FICA COc1ccc(CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 1166613 GSNVEHZDXLTIGB-YBEGLDIGSA-N 359.447 4.236 10 50 FICA COc1ccc(-c2cc(=O)oc3c(CN4CCCCC4)c(O)ccc23)cc1 1868143 RMRBTWYNWRFBIE-UHFFFAOYSA-N 365.429 4.160 10 50 FICA biogenic Oc1ccccc1CN1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1 12202072 BFLWZEGVYDFKKS-QFIPXVFZSA-N 354.469 4.019 10 50 FICA CN(C)c1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCOCC2)cc1 19335814 AOKFPHCXBJQQJA-QHCPKHFHSA-N 362.473 4.033 10 50 FICA Cc1cc(CN2CCC[C@@H](O)C2)c(C)n1-c1cccc(C(F)(F)F)c1 756609 UEXINVLJRDJJEU-GOSISDBHSA-N 352.400 4.070 10 50 FICA Cc1ccc(O)c(CN2CCc3[nH]cnc3[C@@H]2c2cc3ccccc3[nH]2)c1 67803519 SKXSLNGTOZRYCB-QFIPXVFZSA-N 358.445 4.053 10 50 FICA CCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)ccc2ccccc12 855792 FPZGTODTOZETQY-OAQYLSRUSA-N 364.401 4.459 10 50 FICA Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 13546309 FIEJWEBPCARMKN-OQLLNIDSSA-N 372.427 4.015 10 50 FICA CCOC(=O)c1sc2nc3c(c(-c4ccc(OC)cc4)c2c1N)CCC3 642919 IJFOXQJBRLKVKV-UHFFFAOYSA-N 368.458 4.220 10 50 FICA COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4ccco4)ccc23)cc1 1166996 LCAXJSGLWBEIFQ-UHFFFAOYSA-N 362.337 4.281 10 50 FICA biogenic Cn1c(=O)cc2c3c(c(NC4CCCCC4)ccc31)C(=O)c1ccccc1-2 2094871 JZGUXCXDBKBCDN-UHFFFAOYSA-N 358.441 4.495 10 50 FICA biogenic COc1ccc(-c2cc(=O)oc3c(C)c(O)c(CN4CCCC4)cc23)cc1 2150022 RVTOOQCKOPDDAN-UHFFFAOYSA-N 365.429 4.078 10 50 FICA biogenic COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC 19880529 UCFWABFEURXAQT-GZTJUZNOSA-N 371.483 4.418 10 50 FICA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 1185876 RPXVYVLXKDYYER-ATVHPVEESA-N 364.788 4.061 10 50 FICA COc1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 1212887 BMHOOJHSGRIFNX-GHRIWEEISA-N 355.484 4.139 10 50 FICA COc1ccc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1C 12464378 BMRHXHIMEOMXKM-HNNXBMFYSA-N 353.441 4.488 10 50 FICA Cc1c([C@@H](C)NCc2ccc3c(c2)CCO3)cnn1-c1cccc(F)c1 12385675 GMLFBBRQACFALJ-CQSZACIVSA-N 351.425 4.106 10 50 FICA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4151420 IVIBYCHONCKDIH-HDMKZQKVSA-N 366.373 4.128 10 50 FICA CCCCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 5093376 VQUGRCVFWSTRPF-ACCUITESSA-N 369.533 4.073 10 50 FICA COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(Cl)c1 759345 KYLUIEGQINPEKR-ATVHPVEESA-N 359.853 4.345 10 50 FICA CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 1136696 XEXHZBMFAJTQDY-YVLHZVERSA-N 369.467 4.384 10 50 FICA O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)Nc1ccccc1 771822 NCYSLBNLVVLVLH-UHFFFAOYSA-N 355.393 4.032 10 50 FICA CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 1114844 GTSMAEYGRDFLDK-CYVLTUHYSA-N 365.502 4.137 10 50 FICA C[C@H](NC(=O)c1nc(-c2ccc(-n3cccc3)cc2)no1)c1ccccc1 4623096 YJIQVFDVDYXZEI-HNNXBMFYSA-N 358.401 4.018 10 50 FICA c1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCCCC3)cc2)ccn1 275543848 MVAXCOWBRJYUBI-FCHUYYIVSA-N 351.494 4.082 10 50 FICA CCc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1 967156 VUFIOTHWEAEEGG-MHWRWJLKSA-N 369.467 4.353 10 50 FICA COc1cc([N+](=O)[O-])ccc1N/N=N/c1cccc(Br)c1 4952271 IQIADEOMPUWFPX-UHFFFAOYSA-N 351.160 4.477 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(N(C)C)cc1 4363194 PVNJTKMSKVMLOT-CJLVFECKSA-N 370.456 4.349 10 50 FICA Oc1ccccc1CN1CCOc2c(O)cc(-c3cccs3)cc2C1 55165813 ZVBGSYBENTVYQI-UHFFFAOYSA-N 353.443 4.221 10 50 FICA Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1cccc2ccccc12 1137921 BIYKXVSBKHMMNR-UHFFFAOYSA-N 350.487 4.255 10 50 FICA Oc1ccccc1CN1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 43041378 HFEGEVXOQDTDPI-OAHLLOKOSA-N 369.415 4.440 10 50 FICA CCO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O 103842757 HEUIVINVBVPWCU-LMVRJCEZSA-N 374.477 4.302 10 50 FICA Oc1c(F)cccc1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 65376463 YSLGDHLGTDUAFF-PZJWPPBQSA-N 351.421 4.035 10 50 FICA Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S 1189541 KOSGKKSRWIGBHA-SXGWCWSVSA-N 355.440 4.130 10 50 FICA O=C(O)CCCCCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 1749065 BBSQLRKBOCURJB-UNRYZTPYSA-N 361.488 4.089 10 50 FICA COc1ccc(O)c(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c1 12713515 ZOWWZQCPYNNNOF-INIZCTEOSA-N 371.502 4.218 10 50 FICA CO[C@H](CNC1CCN(c2ccc3c(c2)CCC3)CC1)c1cccs1 1506418326 QCQLDEYSGGKYNE-HXUWFJFHSA-N 356.535 4.183 10 50 FICA C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H]1c1ccc(N(C)C)cc1 3680868 MBRDKMVQLAQSMB-WGKKAQPQSA-N 365.521 4.046 10 50 FICA CC(=O)c1cc(CC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cs1 217125257 DSLILLNALGUWLT-HNNXBMFYSA-N 370.518 4.046 10 50 FICA COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)c3ccccc3)ccc12 1184830 NOGDXMZBBUKTTL-UHFFFAOYSA-N 360.365 4.217 10 50 FICA biogenic COc1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1OC 1157957 FTWXBVLYZJAJRJ-RVDMUPIBSA-N 363.504 4.238 10 50 FICA CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)SC1=S 1161096 JDHCVXQPUIVRDM-YBEGLDIGSA-N 359.472 4.078 10 50 FICA O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1ccc(F)cc1 4746622 HFTIQBOTFQUSJE-MHWRWJLKSA-N 373.430 4.003 10 50 FICA COc1ccc(N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 4734864 QUXFYSDEPIHNCL-UHFFFAOYSA-N 372.468 4.325 10 50 FICA CCOc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)ccc1O 13914764 NXYBFXPLDMTKDC-UVTDQMKNSA-N 356.809 4.250 10 50 FICA CCN(CC)Cc1c(O)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 646729 RMQDPKNOQYZHAD-UHFFFAOYSA-N 351.446 4.240 10 50 FICA CN1/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)Sc2ccccc21 1247193 DKGAHMQIMZILDX-BMRADRMJSA-N 370.524 4.458 10 50 FICA O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5093792 IVVPTIXFTVHJSM-JLHYYAGUSA-N 353.377 4.114 10 50 FICA Cc1ccccc1N1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 5711725 ZOFZRMUXDYVFSV-XNTDXEJSSA-N 356.428 4.309 10 50 FICA COc1ccc(O)c(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c1 11818122 RTLGAFVFCISHEJ-HNNXBMFYSA-N 373.880 4.458 10 50 FICA COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c1 15008389 AIPMYFOYGMYEDV-GZTJUZNOSA-N 371.483 4.418 10 50 FICA c1ccc(-c2cnc(SCc3nccs3)n2C[C@@H]2CCCO2)cc1 162251995 KDWOGAMKDOMXQC-HNNXBMFYSA-N 357.504 4.478 10 50 FICA Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c1 5418539 LIEBZWMQVJUSPW-XNTDXEJSSA-N 356.428 4.309 10 50 FICA COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(OC)c1 917814 OVSCHFKPPGOHOH-UHFFFAOYSA-N 350.418 4.364 10 50 FICA CCCC[C@H](CC)CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 2269059 AXPMOKYQFTXVJT-SUQMRRJOSA-N 374.531 4.427 10 50 FICA CCCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1928104 CRKTXNCYEQZFNB-UHFFFAOYSA-N 352.386 4.100 10 50 FICA OC[C@H]1CCCCN1Cc1cc(-c2nc3ccccc3s2)ccc1O 11982334 VNMHNPGWSNREHO-MRXNPFEDSA-N 354.475 4.016 10 50 FICA Cc1cc(C(=O)N2Cc3cnc(CC(C)C)nc3C2)c(C)n1-c1ccccc1 215187853 LXFHLZNESIKFOE-UHFFFAOYSA-N 374.488 4.239 10 50 FICA COc1ccc(/C=C2/SC(=S)N(C(=O)c3cccc(C)c3)C2=O)cc1 408822863 ZMPCHEGXOLVRLU-LFIBNONCSA-N 369.467 4.045 10 50 FICA COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 5008529 KZJZPUZUUSWISA-XNTDXEJSSA-N 372.427 4.009 10 50 FICA Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 15015962 YGWXAOZGHNJXJG-PXNMLYILSA-N 372.833 4.460 10 50 FICA Oc1c(CN2CCCCC2)ccc2c(O)c(CN3CCCCC3)ccc12 71769807 JEMRZXHMSLEPSP-UHFFFAOYSA-N 354.494 4.223 10 50 FICA O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1Cc1ccccc1 1151351 XXSOQOMHWGNCAJ-WQRHYEAKSA-N 365.479 4.407 10 50 FICA O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1C[C@H]1CCCO1 13563032 QOFGHDLHDUWSQO-VAENJDROSA-N 374.314 4.374 10 50 FICA CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OC(F)F 20607845 ZYEBJCWTJRDOAA-JYRVWZFOSA-N 373.446 4.296 10 50 FICA Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(C)C2=O)cc1 1179693 NTFQNMYJHOZULZ-GZTJUZNOSA-N 355.484 4.405 10 50 FICA COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC 15222348 KWBULPJBEKNOSW-LFIBNONCSA-N 363.504 4.238 10 50 FICA COc1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(=O)O 978496 UJVPOZMLMHZQIR-UHFFFAOYSA-N 353.399 4.374 10 50 FICA CC1=NN2C(=N)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 3980744 CWDXETNYCFJUHJ-MKIIFUPGSA-N 370.821 4.239 10 50 FICA OC[C@]1(Cc2ccccc2F)CCCN(Cc2cc(Cl)ccc2O)C1 23379967 ZTIVERLRQWTYHD-FQEVSTJZSA-N 363.860 4.002 10 50 FICA CC[C@@H](c1cc(Br)ccc1O)N(C)Cc1c(C)noc1C 170601051 QBPBSZFAOMBDIW-HNNXBMFYSA-N 353.260 4.343 10 50 FICA COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 15015234 OOCZBQDLEMJRDF-GDNBJRDFSA-N 373.430 4.018 10 50 FICA COc1ccc(N2CCN(CCC(=O)c3ccc4ccccc4c3)CC2)cc1 52537683 NGIYYMMYYSHHCL-UHFFFAOYSA-N 374.484 4.243 10 50 FICA Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(O)c3O)c(O)c2n1 1857778015 IVWKYQUXMWMOTL-FQEVSTJZSA-N 373.412 4.257 10 50 FICA COc1cc(Br)cc(CNCc2ccc3ccoc3c2)c1O 2325725433 KOQJYDBPWIWESD-UHFFFAOYSA-N 362.223 4.199 10 50 FICA CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 5718716 CUSQKYDSZJCVAY-LFIBNONCSA-N 357.456 4.197 10 50 FICA O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1 686960 BUJGGQOYYNWNTM-KPKJPENVSA-N 367.619 4.108 10 50 FICA Cc1ccc(COc2cccc(/C=C3/SC(=S)N(C)C3=O)c2)cc1 1182805 KYDXWSMXBADTMI-GZTJUZNOSA-N 355.484 4.405 10 50 FICA O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 1234208 MERSOXJRJWZSND-KPKJPENVSA-N 366.261 4.198 10 50 FICA CCOc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1 2825611 LAZKHPXNAKRMSI-LFIBNONCSA-N 358.488 4.041 10 50 FICA CC(C)(C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccs1 34911159 RDGUIFVWKLZGIS-PTNGSMBKSA-N 355.419 4.489 10 50 FICA O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1C[C@@H]1CCCO1 13756033 KRSNVALIOODAPV-RYPVXOHGSA-N 374.314 4.374 10 50 FICA COC(=O)c1ccc(/C=C2/SC(Nc3cccc(C)c3C)=NC2=O)cc1 19925514 OVTNPEGIDCWMIK-GZTJUZNOSA-N 366.442 4.172 10 50 FICA Cc1cccc(CN2CCC[C@@]3(CCN(Cc4ccccc4O)C3)C2)c1 53166351 RFCAHPOQSASWCY-HSZRJFAPSA-N 350.506 4.189 10 50 FICA COc1cc(Cl)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC 1114452 JWYJIAQWUXHIAW-NSIKDUERSA-N 371.911 4.214 10 50 FICA CCCCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)SC1=S 5502650 KWYBABIVXUUMCB-XNTDXEJSSA-N 351.493 4.095 10 50 FICA COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 2879229 NEOFHRGSRDCPJN-GJYPPUQNSA-N 352.390 4.439 10 50 FICA Cc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)s1 4819685 POPVKOBXAXVFJS-MDWZMJQESA-N 362.457 4.371 10 50 FICA CSc1ncc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)s1 2325820980 WZDQOMOPZRKNMZ-UHFFFAOYSA-N 368.911 4.202 10 50 FICA O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)c(Cl)cc1Cl 1049464 YNEKIOUQCKDZGN-UHFFFAOYSA-N 352.626 4.153 10 50 FICA CCCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 5502051 PRFWMRWDRNOWGC-SDNWHVSQSA-N 350.465 4.376 10 50 FICA Cc1ccc2ccccc2c1CN(/N=N/c1nonc1C)c1nonc1C 4380253 YCTFDDZNXDIIDI-LYBHJNIJSA-N 363.381 4.237 10 50 FICA CC[C@H](c1cc(Br)ccc1O)N(C)Cc1c(C)noc1C 170601052 QBPBSZFAOMBDIW-OAHLLOKOSA-N 353.260 4.343 10 50 FICA O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1C[C@@H]1CCCO1 1191898 QVRVETVKJVEFIG-VUVCFOEZSA-N 355.484 4.220 10 50 FICA Oc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1 15069977 ZBOAIRCGDNDTJP-KRWDZBQOSA-N 351.425 4.301 10 50 FICA Cc1cccc(C(=O)Oc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 32671018 BWJREWSGVQTYMC-WJDWOHSUSA-N 369.467 4.045 10 50 FICA Cc1cc(C(=O)Nc2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1F 225419652 ONFNEZZJJSHAJY-SANMLTNESA-N 370.449 4.223 10 50 FICA Oc1ccccc1CN1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1 12202066 BFLWZEGVYDFKKS-JOCHJYFZSA-N 354.469 4.019 10 50 FICA CN(C)c1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1 1167223 KVIZDDSHMALCAT-GAGNZYIBSA-N 374.469 4.057 10 50 FICA Fc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c(F)c1 1423381 BGHRRMSKNYMXBU-UHFFFAOYSA-N 353.328 4.385 10 50 FICA O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(F)cc1 1889103 KXEDJGMXPBZMCE-NTEUORMPSA-N 360.391 4.140 10 50 FICA O=C1NC(=S)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 1092570 QUPFKBITVLIQNA-KPKJPENVSA-N 355.362 4.454 10 50 FICA in-vitro O=C(/C=C/c1cccs1)Nc1cccc2c1C(=O)c1ccccc1C2=O 4147160 YKMFGJMLCOSMGH-ZHACJKMWSA-N 359.406 4.175 10 50 FICA COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H]3CCCCC3=O)ccc12 2251741 RIBSZKOJLYTFHW-IBGZPJMESA-N 352.386 4.154 10 50 FICA Cc1ccccc1NCN1C(=O)/C(=C/c2ccccc2F)SC1=S 334160381 CKGIAYFQOXKKEO-YBEGLDIGSA-N 358.463 4.405 10 50 FICA CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)[C@@H]2[C@@H]1c1ccc(C)cc1 8465824 GFURRXDWVJZLMS-WOJBJXKFSA-N 359.425 4.231 10 50 FICA CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)O)o1 15821967 HFIHPFZWNMGNKR-UYRXBGFRSA-N 372.380 4.451 10 50 FICA COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1 11950499 RVVBARXKFBXUHQ-OAHLLOKOSA-N 359.853 4.149 10 50 FICA CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3ccccc3O)C2)c1 12594863 WMYPRPBYYKEPIP-LJQANCHMSA-N 353.462 4.274 10 50 FICA Cc1ccc(O)c(CN2CCc3[nH]cnc3[C@@H]2c2ccc3occc3c2)c1 72148199 FAGGCLVYDRLEIY-QFIPXVFZSA-N 359.429 4.318 10 50 FICA O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 239338719 LBDYSHXIVYPQCI-ANXWAFIOSA-N 372.262 4.055 10 50 FICA CC/C(Nc1ccc(OC)cc1OC)=C1/C(=O)N(c2ccccc2)N=C1C 4982752 MKGLVNNJLQTJSJ-JZJYNLBNSA-N 365.433 4.203 10 50 FICA C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccco2)C1=O 15379108 LIUOUGDQABFSOA-HJPCULJESA-N 369.467 4.388 10 50 FICA O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1Cc1ccco1 1136766 BIFACOVKQSWKJX-POHAHGRESA-N 370.249 4.037 10 50 FICA Cc1cc(=O)n(C)cc1NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C 177676511 ZOAMHCVCAAVXER-UHFFFAOYSA-N 369.852 4.007 10 50 FICA COc1cccc(O)c1CN1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 11999745 NOKDNSHRGFDHBX-OAHLLOKOSA-N 373.880 4.458 10 50 FICA CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1OC 15011029 WVKOOHNNCQDUHN-AQTBWJFISA-N 350.418 4.290 10 50 FICA CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 1252241 FLOJWBSCMVVULM-SFQUDFHCSA-N 371.483 4.500 10 50 FICA COc1cccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)c1O 11662761 AHGNSQOQQSWKHX-OAHLLOKOSA-N 359.853 4.149 10 50 FICA CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cccc(Br)c1 15930651 LLQHAIPFJVCPNT-YBEGLDIGSA-N 374.213 4.307 10 50 FICA CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NNc1ccc(C)c(C)c1 223247392 OJURMHZNOKGFAT-WQRHYEAKSA-N 354.841 4.180 10 50 FICA Cc1oc(C(=O)O)cc1COc1ccc2c(oc(=O)c3ccccc32)c1C 1147404 IUOQTIBTHSSQTI-UHFFFAOYSA-N 364.353 4.433 10 50 FICA biogenic Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 1231984 FPMJKIRGNNTSOQ-UHFFFAOYSA-N 351.427 4.027 10 50 FICA COc1ccc(/C=C2\SC(=S)N(Nc3ccccc3C)C2=O)cc1 975360 JQHXBKRTRUCDBU-WJDWOHSUSA-N 356.472 4.232 10 50 FICA CC(C)(C)OC(=O)NC1CCN([C@H](c2ccco2)c2ccccc2O)CC1 25759548 OHZFWZIFIYATEG-IBGZPJMESA-N 372.465 4.064 10 50 FICA Cc1ccc(CN2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 2811847 NSQKBRDPFYMWTL-YBEGLDIGSA-N 370.455 4.305 10 50 FICA O=C1C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21 1562030 WPEJBJRFPBMVGJ-UHFFFAOYSA-N 366.008 4.258 10 50 FICA in-vitro CC(C)OC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 952253 NFJHAWMKRUQFBO-AWEZNQCLSA-N 352.386 4.179 10 50 FICA biogenic COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 169684096 AERIGTYGZCPSDB-JTDSTZFVSA-N 350.374 4.208 10 50 FICA CCCC[C@@H]1CN(C2CCN(c3ccc(OC)cc3)CC2)C[C@H](C2CC2)O1 1875246787 MUELCGCGEHCLIU-DHIUTWEWSA-N 372.553 4.334 10 50 FICA CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 2901030 RCGYQRQJMPBGCN-SQFISAMPSA-N 363.504 4.011 10 50 FICA COc1ccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c(O)c1 12075894 XPWPIXMZWPXIPN-INIZCTEOSA-N 359.853 4.149 10 50 FICA CCOc1ccccc1N1CCN(Cc2ccc(N(CC)CC)cc2)CC1 55292154 GCMRIIIOEDXKIO-UHFFFAOYSA-N 367.537 4.254 10 50 FICA O=C(O)c1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1 1115865 JYVWHTQFEMVQIJ-HKWRFOASSA-N 368.392 4.219 10 50 FICA CC(C)(C)OC(=O)NC1CCN([C@@H](c2ccco2)c2ccccc2O)CC1 25759545 OHZFWZIFIYATEG-LJQANCHMSA-N 372.465 4.064 10 50 FICA Cc1cccc(CN2CCC[C@]3(CCN(Cc4ccccc4O)C3)C2)c1 53166347 RFCAHPOQSASWCY-QHCPKHFHSA-N 350.506 4.189 10 50 FICA CN(C)c1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100823781 YBDRFLOVPAJWCZ-GOSISDBHSA-N 351.841 4.054 10 50 FICA COc1cccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1O 1160411 WARYBVZFUHWALR-GDNBJRDFSA-N 357.456 4.115 10 50 FICA Cc1cccc(NC2=NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)c1C 5090813 NEUOJQKCZQBMQY-MHWRWJLKSA-N 353.403 4.294 10 50 FICA CCCc1ccc(CC2(CC(=O)OCC)C(=O)c3ccccc3C2=O)cc1 2741917 IISQSHKTDDOTQF-UHFFFAOYSA-N 364.441 4.200 10 50 FICA CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1O 2029828 KXTFNHPJVIQHLG-RVDMUPIBSA-N 357.456 4.197 10 50 FICA O=C1NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 1452713 SHIRXBXNDKYTBZ-NTEUORMPSA-N 369.496 4.090 10 50 FICA Cc1ccc(O)c(CN2CCc3[nH]cnc3[C@H]2c2ccc3occc3c2)c1 72148200 FAGGCLVYDRLEIY-JOCHJYFZSA-N 359.429 4.318 10 50 FICA COc1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 55543597 WXYFQHUBGLGQQZ-UHFFFAOYSA-N 351.277 4.324 10 50 FICA Nc1ccc(/N=N/c2ncc(Br)cc2Br)c(N)c1 32133568 NDSPKICAQDKJTG-ISLYRVAYSA-N 371.036 4.186 10 50 FICA CN(C)C(=O)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 1102662 LOHBBPBNYCISPQ-JTDSTZFVSA-N 363.417 4.123 10 50 FICA CCCCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 6264024 VGNHSROJURPTBL-RVDMUPIBSA-N 351.493 4.182 10 50 FICA COC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)cc2)c1 1144212 NDOOXPGYRJWWKF-UHFFFAOYSA-N 363.413 4.257 10 50 FICA COc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)c1OC 22015894 YLDDIWULLIISJV-WJDWOHSUSA-N 356.809 4.163 10 50 FICA Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 1089936 RROUDAWDSPXCIK-GDNBJRDFSA-N 356.428 4.309 10 50 FICA Cc1ccccc1Nc1c(C(=O)O)ccc2c1C(=O)c1ccccc1C2=O 4774652 NBFSAPLIIISZCM-UHFFFAOYSA-N 357.365 4.212 10 50 FICA O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1ccc2c(c1)OCO2 4472024 SVZBIZXAGNXFAT-OVCLIPMQSA-N 358.806 4.151 10 50 FICA CC(=O)c1cc(C)n(-c2ccc(C(=O)N(C)C3CCSCC3)cc2)c1C 244882541 XTSNSXPWVKGOGA-UHFFFAOYSA-N 370.518 4.264 10 50 FICA COc1cccc(O)c1CN1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 14977379 CMCBTJXJEYNZRX-HNNXBMFYSA-N 359.853 4.149 10 50 FICA COc1ccc([C@H](CC(=O)C(C)C)C2C(=O)c3ccccc3C2=O)cc1 100366598 HKSWDAORORWPGM-SFHVURJKSA-N 350.414 4.089 10 50 FICA COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1 1190747 OABJMRBJOYWDSC-BOPFTXTBSA-N 371.483 4.418 10 50 FICA Cc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)s1 1138299 OXYJGOMEVUNRNB-MDWZMJQESA-N 362.457 4.371 10 50 FICA CCOC(=O)c1ccc2c(c1)nc(C(Cl)=Cc1cncs1)n2CC 1857531795 YOQIMHCJHIKAPU-UHFFFAOYSA-N 361.854 4.426 10 50 FICA CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C/c1ccc2c(c1)OCO2 1180785 AJJKKHTWPVLDOE-RIYZIHGNSA-N 354.793 4.183 10 50 FICA COc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(O)c1 14981197 FUJKEODIDCOWMC-LBPRGKRZSA-N 373.403 4.024 10 50 FICA Cc1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 4532519 MTVMLSICTRCIOB-UHFFFAOYSA-N 360.501 4.411 10 50 FICA Cc1cccc(N2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)c1C 1210209 BRKYTJFUNROSCM-YBEGLDIGSA-N 369.467 4.407 10 50 FICA O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1 13897078 IJEIOYCUDMECBQ-FOWTUZBSSA-N 364.788 4.061 10 50 FICA COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(Cl)c1O 997458 IRODXHPFBGBFBR-DHDCSXOGSA-N 359.834 4.424 10 50 FICA COc1ccc(-c2cc3ccc(O)c(CN4CCCCC4)c3oc2=O)cc1 1050673 FFIYKDWTYJWWJV-UHFFFAOYSA-N 365.429 4.160 10 50 FICA biogenic COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 1202825 RDAVWAWPSIBKPO-WJDWOHSUSA-N 357.456 4.110 10 50 FICA Cc1ccc(Nc2ccc3[nH]c(=O)nc4c3c2C(=O)c2ccccc2-4)cc1 2873455 YDAFERYPIFAFEG-UHFFFAOYSA-N 353.381 4.187 10 50 FICA Oc1ccccc1CN1CCc2[nH]cnc2[C@@H]1c1c(F)cccc1Cl 67473192 DSQAQHOOEZYUHF-IBGZPJMESA-N 357.816 4.056 10 50 FICA CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C)oc2c(CN(C)C)c1O 1139302 LMZYOXGPNLVTIJ-UHFFFAOYSA-N 355.409 4.237 10 50 FICA O=C1c2ccccc2C(=O)c2c1c(Cl)cc1c(=O)c3ccccc3[nH]c21 3832702 BQJLRDOHHGEZKQ-UHFFFAOYSA-N 359.768 4.110 10 50 FICA CC(C)C(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1O 855786 FPISIVZHARXNRT-GOSISDBHSA-N 354.837 4.455 10 50 FICA biogenic O=C1N=C(O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1 1277880 OIMMVQODRBOBEN-UHFFFAOYSA-N 364.835 4.142 10 50 FICA COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 4151418 IVIBYCHONCKDIH-RLFYNMQTSA-N 366.373 4.128 10 50 FICA COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3O)C[C@@H]21 169681530 IHRLUCBMROBEDS-AVRDEDQJSA-N 373.412 4.038 10 50 FICA Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1Oc1ccc(Cl)cc1 5677517 NDDHGKQXYXMBPZ-UHFFFAOYSA-N 359.809 4.314 10 50 FICA O=C1N=C(NCc2cccs2)S/C1=C\c1ccc2ncccc2c1 28821265 XOLMRFUGOINFDQ-YBEGLDIGSA-N 351.456 4.056 10 50 FICA in-vitro Cc1cccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(O)=NC2=S)c1 1260314 WISGVMVZTXSKOA-MHWRWJLKSA-N 361.426 4.148 10 50 FICA Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(O)c1 13465508 YTFJVBNKQOIEKG-OXQOHEQNSA-N 364.426 4.402 10 50 FICA CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 645598 PHFZAIMLJZXLKT-UHFFFAOYSA-N 370.268 4.079 10 50 FICA COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 13370644 JDPAARRXWWHOGY-LGMDPLHJSA-N 355.484 4.139 10 50 FICA C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 65278695 KOUBNHFPLHOBBM-AWEZNQCLSA-N 359.857 4.059 10 50 FICA COc1ccc(O)c(CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c1 12713510 ZOWWZQCPYNNNOF-MRXNPFEDSA-N 371.502 4.218 10 50 FICA O=C(OCCC1(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccccc1 1229959 CPTBZMBCZPAIHM-UHFFFAOYSA-N 370.404 4.251 10 50 FICA CCc1cccc2c(/C=C3\C(=O)N(Cc4ccccc4)C(=O)N=C3O)c[nH]c12 20235384 OYJBAYNNOVCJJM-WQRHYEAKSA-N 373.412 4.233 10 50 FICA C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H]1c1ccc(N(C)C)cc1 36020469 MBRDKMVQLAQSMB-KFVVBQDRSA-N 365.521 4.046 10 50 FICA Cc1ccc(N2C(=O)c3ccc(Oc4ccc(N)cc4)cc3C2=O)c(C)c1 2878898 URWZGTPVPWZHDE-UHFFFAOYSA-N 358.397 4.479 10 50 FICA CCOC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 644119 URYNTSKYXJTSLF-AWEZNQCLSA-N 352.386 4.099 10 50 FICA COc1ccc(N2CCC(N[C@H](CC(C)C)c3cccnc3)CC2)cc1 952982940 STUQHAURULLOHE-JOCHJYFZSA-N 353.510 4.436 10 50 FICA COC(=O)[C@@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 622071 HBXUYYTZFKKTJX-LLVKDONJSA-N 358.777 4.054 10 50 FICA O=[N+]([O-])c1ccccc1[C@H](Nc1ccccn1)c1ccc2cccnc2c1O 4164558 MGFHRDKEEYAVJX-FQEVSTJZSA-N 372.384 4.445 10 50 FICA COc1cccc(O)c1CN1CCC[C@@H](C(=O)c2ccccc2SC)C1 13659399 PALAORSVCXZEFA-OAHLLOKOSA-N 371.502 4.218 10 50 FICA Cc1c([C@H](C)NCc2ccc3c(c2)CCO3)cnn1-c1cccc(F)c1 12385676 GMLFBBRQACFALJ-AWEZNQCLSA-N 351.425 4.106 10 50 FICA Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(O)c1 13465506 YTFJVBNKQOIEKG-OXJNMPFZSA-N 364.426 4.402 10 50 FICA CC(C)CC1=NN2C(=N)/C(=C/c3ccc(C(C)C)cc3)C(=O)N=C2S1 4170652 WVLLJVSSHRFECN-CKLXWILVSA-N 354.479 4.475 10 50 FICA CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 1214615 BXZWPRYGEGASEK-ATVHPVEESA-N 371.483 4.500 10 50 FICA O=C(c1cc(F)ccc1F)[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 12094500 YIKXTQDHQZHFCC-GFCCVEGCSA-N 365.807 4.419 10 50 FICA Cc1ncn(-c2ccc([C@@H](C)NCc3ccc4c(c3)CCCO4)cn2)c1C 2325803483 JWNQUDAAUJEZII-MRXNPFEDSA-N 362.477 4.060 10 50 FICA O=C1c2ccccc2C(=O)c2c1cc(NC1CCCCC1)c1nsnc21 4020401 GRRARZDUTYLVCN-UHFFFAOYSA-N 363.442 4.211 10 50 FICA CN(C)c1ccc(CN(C(=O)c2ccc(-c3cccnc3)cn2)C2CC2)cc1 2325806065 QHUAWFVWLRBOGJ-UHFFFAOYSA-N 372.472 4.014 10 50 FICA CC(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 1197177 HSKCIELZJRQAQU-KRWDZBQOSA-N 354.837 4.455 10 50 FICA biogenic O=C(c1ccco1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O 239351922 AANYBTAILFNIJI-KRWDZBQOSA-N 350.349 4.116 10 50 FICA O[C@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1cccc2cccnc12 6222874 PTMSXLLKZVHHKE-SFHVURJKSA-N 357.335 4.100 10 50 FICA CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2c(CN(C)C)c1O 624151 LIKRPCBMOHAHGJ-UHFFFAOYSA-N 371.408 4.362 10 50 FICA C[C@@H]1C[C@@H](N[C@H](C)c2cccc(N3CCOC3=O)c2)c2c(O)ccc(F)c21 756455406 JVVFCQXVPOWJQY-PBFPGSCMSA-N 370.424 4.387 10 50 FICA Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(C)c1 1189637 MKLVENPOWDZSPL-MFOYZWKCSA-N 369.467 4.438 10 50 FICA Nc1c(C(=O)O)sc2ncc(-c3ncc(C(F)(F)F)cc3Cl)cc12 261494812 IWHFANQKLCSVLN-UHFFFAOYSA-N 373.743 4.311 10 50 FICA CCOc1cccc(CN2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)c1O 42942822 NBVPSYOXYQZEFA-MRXNPFEDSA-N 357.498 4.092 10 50 FICA O=C1C(c2ccccc2)=S=C2C(c3ccccc3)=Nc3ccccc3N12 334159011 KTGTUVATXLQXCP-UHFFFAOYSA-N 354.434 4.251 10 50 FICA Oc1c(Cl)cc(Cl)cc1CN1CCN(c2ccccc2F)CC1 53184409 XYXUSYYRLLVCNI-UHFFFAOYSA-N 355.240 4.160 10 50 FICA CCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1 3864205 RWFJGBNUVRYBAI-PNZWKLPWSA-N 368.393 4.115 10 50 FICA COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 4199891 JTXDIDQZNSBYDR-GJYPPUQNSA-N 350.374 4.208 10 50 FICA C=Cn1c(C)c(C=C2C(=O)OC3(CCCCC3)OC2=O)c2ccccc21 1148885 NPINSISKDJOKIZ-UHFFFAOYSA-N 351.402 4.194 10 50 FICA CN(C)c1ccc([C@H](c2c(O)ccc3ccccc23)N2CCOCC2)cc1 19335810 AOKFPHCXBJQQJA-HSZRJFAPSA-N 362.473 4.033 10 50 FICA CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccccc3OC)coc12 19790383 RJVTWANGWOBKQF-UHFFFAOYSA-N 353.418 4.016 10 50 FICA biogenic CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(N(C)C)cc2)S1 20586397 ITTQJOBJJIRHGG-QGOAFFKASA-N 351.475 4.397 10 50 FICA CCN(CC)CCN(C)Cc1cc(-c2nc3ccccc3s2)ccc1O 20918559 FCRIXHBDPBJEMG-UHFFFAOYSA-N 369.534 4.443 10 50 FICA COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C(C)=O)c2)cc1 1148686 UGFWGZXSLCPTLH-UHFFFAOYSA-N 363.413 4.373 10 50 FICA Cc1ccccc1-n1c(C)cc(C(=O)N2CC3(CCCC3)C[C@@H]2CO)c1C 2325826644 HZPBZLFCITWWDU-LJQANCHMSA-N 366.505 4.170 10 50 FICA Oc1ccccc1CN1CCC[C@H](c2[nH]ncc2-c2ccccc2F)C1 43056887 HXVJMLVHIOLCSX-INIZCTEOSA-N 351.425 4.301 10 50 FICA COc1ccc(NCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1 334160326 BBEGZYHIQKEMGO-YBEGLDIGSA-N 374.462 4.105 10 50 FICA Cc1ccccc1-n1c(C)cc(C(=O)N2CC3(CCCC3)C[C@H]2CO)c1C 2325826643 HZPBZLFCITWWDU-IBGZPJMESA-N 366.505 4.170 10 50 FICA Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(O)c1 4349497 YTFJVBNKQOIEKG-JXFKEZNVSA-N 364.426 4.402 10 50 FICA O=C(O)[C@@H]1CCCN1C(=O)OCc1ccc(/N=N/c2ccccc2)cc1 8076420 ZMZPSHULEFQAGI-UAFUQJIBSA-N 353.378 4.288 10 50 FICA O=C1/C(=C/[C@H]2CC=CCC2)SC(=S)N1Cc1ccc2c(c1)OCO2 1103635 CFRMWNKIVCISAR-PFSWGADMSA-N 359.472 4.016 10 50 FICA Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)c1 1174230 ORYCZZOHQGWXNJ-CPNJWEJPSA-N 370.408 4.123 10 50 FICA COc1ccccc1NCN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 334160772 MEMFSSWTJLCWBD-YBEGLDIGSA-N 374.462 4.105 10 50 FICA COc1ccc(N2CCN([C@@H]3CCCN(C4CCCCCC4)C3)CC2)cc1 55183188 VOHBXLYFLJWCQO-JOCHJYFZSA-N 371.569 4.004 10 50 FICA CCN(C)c1ccc(CN2CCC(c3ccnc(C(C)C)n3)CC2)cc1 2325750025 OPSDIVHGRAIGNL-UHFFFAOYSA-N 352.526 4.436 10 50 FICA O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 4151771 MEIJVJHJWKJYQV-UHFFFAOYSA-N 361.784 4.368 10 50 FICA COC(=O)[C@H](C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 622067 HBXUYYTZFKKTJX-NSHDSACASA-N 358.777 4.054 10 50 FICA Oc1c(Br)cccc1CNCc1ncc(-c2ccccc2)o1 170621720 VIGNAVSBMDMBJL-UHFFFAOYSA-N 359.223 4.100 10 50 FICA CCCC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)ccc2ccccc12 855793 FMXVMBNLDNNXGX-NRFANRHFSA-N 364.401 4.459 10 50 FICA CCc1ccc(Oc2c(C)oc3c(CN(C)C)c(O)ccc3c2=O)cc1 25326470 DTJSZDQUDLIODY-UHFFFAOYSA-N 353.418 4.223 10 50 FICA COc1ccc(N2CCN([C@H]3CCCN(C4CCCCCC4)C3)CC2)cc1 55183189 VOHBXLYFLJWCQO-QFIPXVFZSA-N 371.569 4.004 10 50 FICA COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 169684097 AERIGTYGZCPSDB-GPMSIDNRSA-N 350.374 4.208 10 50 FICA CC(C)c1noc([C@H](C)NC2CCN(c3ccc4c(c3)CCC4)CC2)n1 822285040 JXBFADAZTOJLFR-HNNXBMFYSA-N 354.498 4.001 10 50 FICA C[C@H](O)c1cccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)c1 1030416 VHYIPADWJMXVSU-HNNXBMFYSA-N 357.409 4.127 10 50 FICA COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 1086296 ZAFXPMHZVIELJW-GDNBJRDFSA-N 372.427 4.009 10 50 FICA CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 2901766 QIXFSAXPBFOVBK-SQFISAMPSA-N 363.504 4.011 10 50 FICA Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1C 1190928 FEWLYAIRXZXBPC-MFOYZWKCSA-N 369.467 4.438 10 50 FICA COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O 1159932 HYVNXABNKFWXMZ-YBEGLDIGSA-N 357.456 4.115 10 50 FICA