smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N/N=C1/CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 253498673 JTSYJYALWDMECW-GJAZEHCRSA-N 388.552 4.453 50 50 GIGA biogenic Cc1ccc(S/C(=C(\C(=O)N2CCCC2)[N+](=O)[O-])C(Cl)Cl)cc1 2843680 OVJJXZJPFWQXQV-OUKQBFOZSA-N 375.277 4.002 50 50 GIGA COC(=O)C1=C[C@H](CCCC2(C)OCCO2)[C@@H](O[Si](C)(C)C(C)(C)C)C1 169833771 QLOXZDPJPGTUPS-RDJZCZTQSA-N 384.589 4.429 50 50 GIGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 713895 MJNIKHOOPMNUAS-FQEVSTJZSA-N 377.394 4.270 50 50 GIGA Cc1cc2c(cc1C)CN(c1ccc(/C=N/NC(=O)c3ccc(O)cc3)cc1)C2 1187887 INXISRCGQZEGOV-DHRITJCHSA-N 385.467 4.293 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1c(F)cccc1Cl 1428244 KOXJFOCNWMDJCL-AWEZNQCLSA-N 384.819 4.272 50 50 GIGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2csc(C(C)C)c2)cc1OC 17081526 NLJKTOVRMCWRRI-LSHDLFTRSA-N 398.488 4.043 50 50 GIGA CCn1ncc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 17078205 SNNBROBKGJATSY-IZZDOVSWSA-N 382.773 4.429 50 50 GIGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2ccc(Cl)cc2)CCCC1 728081008 UBPLDLXKUTUUHU-UHFFFAOYSA-N 382.851 4.345 50 50 GIGA Cc1ccc2cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c(Cl)nc2c1 5795813 PKRRGPBMZPCMJX-LSHDLFTRSA-N 388.254 4.379 50 50 GIGA COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1CSc1ccc(C)cc1 17077443 OQNYONAXTWWIIM-GZTJUZNOSA-N 378.497 4.482 50 50 GIGA COC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 220956797 LFQWWEKAMLWMBB-RIYZIHGNSA-N 390.208 4.247 50 50 GIGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c1 1229531 NQBGSCSJGGPWPC-LSFURLLWSA-N 388.851 4.030 50 50 GIGA N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@H]1c1cccnc1 8782279 XAHMRLIGEWVAPN-GOSISDBHSA-N 378.229 4.215 50 50 GIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)cc1 4746385 RTVHOLVOGBQHIL-LPYMAVHISA-N 382.851 4.283 50 50 GIGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(OCc2ccccc2)cc1 34185193 FRFUDPBUCVZNFS-CVKSISIWSA-N 383.451 4.440 50 50 GIGA CCCc1ccc(OCc2ccc(C(=O)NNC(=O)Nc3ccccc3)o2)cc1 17080366 VTWNXXAZGPEXQX-UHFFFAOYSA-N 393.443 4.278 50 50 GIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc2ccccc12 2571819 OEFPWLLQPUDJAZ-SSDVNMTOSA-N 386.238 4.235 50 50 GIGA Cc1ccc(SCc2[nH]nc3c2[C@H](Cc2ccccc2)C(C#N)=C(N)O3)cc1 804027 NQUMFDFMOFLLRM-QGZVFWFLSA-N 388.496 4.423 50 50 GIGA CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)NC1CCCC1 6828191 RNYJWLIREFNFLO-NTEUORMPSA-N 377.282 4.202 50 50 GIGA COc1ccc(-c2ccc(/C=N/NC(=O)COc3cccc(C)c3)o2)cc1Cl 1187444 AFCQQYDQPSXULM-FSJBWODESA-N 398.846 4.446 50 50 GIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)c(Br)c1 714279 DLGYJFXGGDTDQP-OAHLLOKOSA-N 391.240 4.039 50 50 GIGA Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 970830 NTMAOOVSZMHYGP-IBGZPJMESA-N 376.847 4.111 50 50 GIGA COc1cccc(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1 2379950 OEZSHVWEEGWNGQ-MFKUBSTISA-N 397.434 4.090 50 50 GIGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 2388464 UXYJZOXEKUFVLV-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 2553785 SMDPKZVJZCAVLP-LFVJCYFKSA-N 389.455 4.108 50 50 GIGA CCOC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC 4558084 GWJYHQKKQXNAGV-XNTDXEJSSA-N 394.452 4.311 50 50 GIGA O=C(C[C@H](c1cccc(Cl)c1)n1cccc1)N/N=C/c1ccc2c(c1)OCO2 1399583 INFWSGRITVBSIS-ZMPUUUETSA-N 395.846 4.000 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1F 752608 GLFJYEXTUYYIRC-RNODOKPDSA-N 378.378 4.173 50 50 GIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1229945 RSCSSYSYBBDCDD-DOZBRYHWSA-N 385.423 4.051 50 50 GIGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 629574 UQJVPCMHXLUXSE-IBGZPJMESA-N 376.847 4.361 50 50 GIGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 1120148 UALXXUIGQAPKFG-UHFFFAOYSA-N 395.846 4.482 50 50 GIGA COc1ccc([C@@H]2OC[C@H]3OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O2)cc1 261509096 ZTRSSQRWGPRALW-ZSYWTGECSA-N 378.541 4.412 50 50 GIGA CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(N)O1 994184 JRLDUKQGKZQPON-SFHVURJKSA-N 380.831 4.165 50 50 GIGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 2571804 PVGYLFRSXWWXKG-SSDVNMTOSA-N 386.238 4.235 50 50 GIGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 4296066 RBGQKLHMIDJHPY-OEAKJJBVSA-N 389.411 4.246 50 50 GIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cccc(Br)c1 5904449 RBYDWVAHEDHNGS-KEBDBYFISA-N 388.652 4.415 50 50 GIGA Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2cccc(Cl)c2)cc1 849997 DOFAVDKHCPUMBN-IBGZPJMESA-N 376.847 4.361 50 50 GIGA CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 1776949 QAPSPBLRBXTEPT-UDWIEESQSA-N 385.514 4.328 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1c[nH]c2ccccc12 752582 WDWSRUMPOOAPMB-OYHNWAKOSA-N 381.435 4.376 50 50 GIGA O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccco1 1469536 JFBWPOHFKZTWOX-PCLIKHOPSA-N 384.439 4.351 50 50 GIGA O=C(COc1ccc(C2CCCCC2)cc1)NNC(=S)Nc1ccccc1 716894 OGLQFLRQOJJPQB-UHFFFAOYSA-N 383.517 4.131 50 50 GIGA O=C(N/N=C/c1coc2ccccc2c1=O)c1sc2ccccc2c1Cl 5904129 OMKHHAXYYFRIKZ-ZVBGSRNCSA-N 382.828 4.425 50 50 GIGA CC(C)(C)c1cc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc(C(C)(C)C)c1O 5353226 IUSQABTYYSFUOR-FSJBWODESA-N 382.508 4.352 50 50 GIGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1 16971812 CSVPEBZEULKHIK-OEAKJJBVSA-N 376.460 4.048 50 50 GIGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2s1 1901801 YBWMEMVMCYDZHA-HOGMWEGNSA-N 383.498 4.212 50 50 GIGA COc1cc(OC)c(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Br 5028358 KHERVOIPAHBTPJ-GHXNOFRVSA-N 384.233 4.407 50 50 GIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc[n+](Cc2ccccc2)cc1 1199682 IEXAXTSNQOOIDY-UHFFFAOYSA-O 385.274 4.093 50 50 GIGA CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@@H]2c1cccs1 667820 ZFZFZUKJOKYBCA-GOSISDBHSA-N 376.485 4.084 50 50 GIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccccc2Cl)o1 1195096 NRIHDIDZHXTHDB-WSDLNYQXSA-N 384.819 4.138 50 50 GIGA N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccccc1OCc1ccccc1)OCO3 1143736 OBAXHLKNQPCPQB-QHCPKHFHSA-N 398.418 4.212 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1cccs1 5297296 ACFHSZYKBPCPPE-VCHYOVAHSA-N 389.278 4.055 50 50 GIGA Cc1ccccc1NC(=O)[C@@H]1[C@H]2[C@H](ON1c1ccccc1)[C@@H]1C[C@@H]2C[C@H]1Cl 245310701 KAQDAEQXVSETDF-SFVGDJHDSA-N 382.891 4.386 50 50 GIGA Cn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nc2ccccc21 1242000 VRYRKEQTFIINGE-AWQFTUOYSA-N 393.299 4.123 50 50 GIGA O=C1c2ccccc2C(=O)C1(Br)[C@@H](Br)c1ccccc1 3080754 FHJMGLKGPTXNQZ-ZDUSSCGKSA-N 394.062 4.336 50 50 GIGA CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 17077555 LXSCPJLGYDHRJC-UKTHLTGXSA-N 379.441 4.340 50 50 GIGA C/C(COc1ccccc1)=N/NC(=O)[C@@H](C)Sc1nc2ccccc2s1 17078739 PBTNYCPRCLIMCO-SFDYMUJDSA-N 385.514 4.348 50 50 GIGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccccc2Cl)n[nH]1 867772 YNYIQANSUAJRGU-FSJBWODESA-N 390.830 4.353 50 50 GIGA CCOC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 2325809504 CEIZGOZLVOAUEL-YBFXNURJSA-N 377.238 4.108 50 50 GIGA O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1476783 GOVJENVJZKBTGP-MFKUBSTISA-N 395.418 4.364 50 50 GIGA Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 994161 LRTDULZLVQAQPA-VQIMIIECSA-N 387.443 4.114 50 50 GIGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1cc(C(C)C)ccc1C 5795475 KMHXLSZGSHKIDB-JJIBRWJFSA-N 381.476 4.018 50 50 GIGA CC(C)(C)[C@H]1CCc2c(C(=O)N/N=C\c3ccc4c(c3)OCO4)csc2C1 32573504 MZRZHSGSMKMLFW-ISNLTARASA-N 384.501 4.392 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(Cl)c1Cl 714561 ZSTOBHBDLJJGQV-CQSZACIVSA-N 385.206 4.318 50 50 GIGA COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1Br 29764208 GODJGSSPCKBCBP-DHDCSXOGSA-N 392.274 4.105 50 50 GIGA COc1ccc2nc(CN(Cc3ccc(F)cc3)C(=O)CCl)sc2c1 1875384067 KXHNPABPAIPSIQ-UHFFFAOYSA-N 378.856 4.212 50 50 GIGA Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Br 792569 BRPHWWBIQSNMGP-CQSZACIVSA-N 393.306 4.270 50 50 GIGA CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1NNC(=O)c1ccccc1 1388034 QDLDNFNGOBGLQM-UHFFFAOYSA-N 383.835 4.269 50 50 GIGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1cccc(Cl)c1 2506328 HJCONGUOGBHIDF-RGVLZGJSSA-N 393.668 4.431 50 50 GIGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(Cl)c(C)c2)cc1 6788276 OFCRLAINVDLPQB-UHFFFAOYSA-N 393.965 4.208 50 50 GIGA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1 15659584 LOHFRFRPZZVIJL-SDNWHVSQSA-N 389.367 4.409 50 50 GIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(Br)o1 4209529 AWSYAWZCDXAPJU-QGMBQPNBSA-N 378.613 4.008 50 50 GIGA CCOc1ccc(/C(CC)=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1 5349954 VGCKQVGCKHGWJU-FCDQGJHFSA-N 392.459 4.028 50 50 GIGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1cccc(Br)c1 32649968 QWTZTHRUITVIJY-XEQXHXIFSA-N 381.657 4.020 50 50 GIGA CSc1oc(C)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 33353098 FGYUWDLMYHXKDY-UHFFFAOYSA-N 390.468 4.324 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1F 752605 GLFJYEXTUYYIRC-XCLFUZPHSA-N 378.378 4.173 50 50 GIGA C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 5020722 YITHUUVXKHPYLM-VHEBRAQUSA-N 387.439 4.176 50 50 GIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1 4282142 QNRJMSMEUGGERH-MFKUBSTISA-N 381.435 4.390 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(C(F)(F)F)c1 755786 JWHAZXHTVGIZOR-HNNXBMFYSA-N 384.313 4.030 50 50 GIGA Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN=Cc1ccc(Br)cc1 245267413 LPKMEOIMRPQOPK-GFCCVEGCSA-N 395.684 4.329 50 50 GIGA O=C(NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1cccnc1 890395 UNDFZDUXYQCPDI-UHFFFAOYSA-N 375.819 4.102 50 50 GIGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccccc2OC)s1 17078458 GVUNTMMBHUFIDQ-GXDHUFHOSA-N 384.457 4.041 50 50 GIGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])c(Cl)c2)cc1 5614691 YBPMVGZNPFKILT-WSDLNYQXSA-N 396.834 4.420 50 50 GIGA CO/C(N)=C(C#N)\C=C1/C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21 5073825 RWWDBCBMSYTSER-SESDASBZSA-N 386.238 4.395 50 50 GIGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC1(c1ccccc1)c1ccccc1 1229935 KSDSWFGWGUPUDM-KCOUNZPASA-N 385.423 4.051 50 50 GIGA C[C@@H](NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1)c1ccccc1 2970246 VNYURQCDRDDEJH-SWEABUAFSA-N 398.304 4.299 50 50 GIGA Cc1cccc(C(=O)Nc2nnc(/C(C#N)=C/c3ccc(N(C)C)cc3)s2)c1 4499412 DTXDFPIFTSFBOC-SFQUDFHCSA-N 389.484 4.229 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccc([N+](=O)[O-])cc1 12464097 NUOCYQAWCBIOOV-OEAKJJBVSA-N 399.410 4.292 50 50 GIGA N#CC1=C(N)S[C@H](c2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1Cl 14943533 ANSUFBDAESBCFC-GVDBMIGSSA-N 389.839 4.390 50 50 GIGA O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1O)c1ccc(Cl)cc1 2542425 OOJSVUJHLJQTMW-YDZHTSKRSA-N 394.814 4.029 50 50 GIGA C[C@H]1C/C(=N\NC(=O)c2ccccc2I)CC(C)(C)C1 17078412 UFKXOFPDTIGDEB-MSXRGENMSA-N 384.261 4.223 50 50 GIGA CN(C)c1oc(-c2ccccc2)nc1P(=O)(c1ccccc1)c1ccccc1 1857800381 UAPJPAQZQFDRJP-UHFFFAOYSA-N 388.407 4.047 50 50 GIGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)o1 689042 MYSMWBRAQFWBLL-SRZZPIQSSA-N 390.355 4.068 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 752529 WODDULCCHDGYJB-JLTOFOAXSA-N 378.378 4.173 50 50 GIGA Cc1ccc(C(=O)N/N=C\c2cc(Cc3ccccc3Cl)ccc2O)cn1 4502152 HSNMHPYHMCRKNL-CFRMEGHHSA-N 379.847 4.104 50 50 GIGA C#CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(Br)cc1 2875850 RTYTZDMETONISL-GDNBJRDFSA-N 383.201 4.433 50 50 GIGA CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 708404 XTWGNLCDAUYBOS-OAHLLOKOSA-N 381.259 4.417 50 50 GIGA O=C(NNC(=S)Nc1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 653623 PZQVOJSWNUVGTK-HUUCEWRRSA-N 380.300 4.115 50 50 GIGA N#CC1=C(N)S[C@H](c2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1Cl 14943535 ANSUFBDAESBCFC-IXDOHACOSA-N 389.839 4.390 50 50 GIGA Br[C@H]1[C@H](Br)[C@H]2C[C@@]1(Br)c1ccccc12 257356806 KKWOYYHIDKQBPV-CDEVMZEPSA-N 380.905 4.305 50 50 GIGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1c(F)cccc1Cl 1196117 FGFTWVRIPPPOFZ-IFRROFPPSA-N 375.614 4.315 50 50 GIGA COc1ccc2cc(CN(Cc3cccc(C#N)c3)C(=O)CCl)ccc2c1 1875383632 AYLBSCJAOHRYMF-UHFFFAOYSA-N 378.859 4.488 50 50 GIGA COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1OC 948275 AEWCTHYXHCFONR-DEDYPNTBSA-N 378.472 4.093 50 50 GIGA CCSC1=C(C#N)[C@H](c2ccc(O)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 4645585 VXHPHFRYLYKAEY-FQEVSTJZSA-N 391.496 4.480 50 50 GIGA CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 5564324 BTMNAPRNDNOGHM-HXUWFJFHSA-N 399.498 4.450 50 50 GIGA COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 2970022 LNFLCKXQWBQMOR-UKTHLTGXSA-N 379.243 4.313 50 50 GIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1Br 4209837 MNKYWYLZASUFLU-KEBDBYFISA-N 388.652 4.415 50 50 GIGA N#C/C(=C/c1ccccc1I)c1ccc([N+](=O)[O-])cc1 16361022 JWAQBWWHIHTWOL-LCYFTJDESA-N 376.153 4.264 50 50 GIGA COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1COc1ccccc1 668422 JAOZBKDGBXPXRA-ZVHZXABRSA-N 378.403 4.177 50 50 GIGA Cc1ccc(O[C@@]23c4ccccc4[C@@H]([C@@H]4C=CC=C[C@@H]42)[C@@H]2C(=O)OC(=O)[C@@H]23)cc1 1848442352 DGSOMQGPOVAAJX-HGMIYXBXSA-N 384.431 4.054 50 50 GIGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 705927 ZGJZCMUIDDOXPT-LJQANCHMSA-N 380.831 4.165 50 50 GIGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)cs2)[C@@H]2CCCC=C12 1103339 LSHOQMYJRMOQSI-DOMZBBRYSA-N 385.290 4.104 50 50 GIGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1sc2cc(F)ccc2c1Cl 2089734 IALLXXMPFPIICU-FBCYGCLPSA-N 393.783 4.072 50 50 GIGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4210203 PXMWGSMCHYAPKL-BUVRLJJBSA-N 392.842 4.252 50 50 GIGA Cc1ccc(C2CC2)c(C(=O)NCc2ccc([C@@H](C)NC(=O)CCl)cc2)c1 1875384413 OLBMFSNYQQICRU-OAHLLOKOSA-N 384.907 4.218 50 50 GIGA O=P(Cl)(Cl)OCC(Br)(Br)Br 6827720 RGBNHRWLNSWPPI-UHFFFAOYSA-N 399.628 4.427 50 50 GIGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 245227837 RGQYIHWAELFPRT-BVNRNSLPSA-N 385.395 4.270 50 50 GIGA CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br 1185656 ZZQDKPHFBRNRPH-UKTHLTGXSA-N 388.240 4.200 50 50 GIGA CC(=O)OC[C@@H](Br)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100072482 SCFZBSSVEAPKOB-PGDPNYEUSA-N 380.120 4.047 50 50 GIGA O=C(CCn1cnc2ccccc21)N/N=C/c1ccc(OCc2ccccc2)cc1 2597759 NGQDVXCWMSSYFZ-WGOQTCKBSA-N 398.466 4.156 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccccc1 5296884 WQSGWVDSZAKKDL-MFKUBSTISA-N 380.451 4.483 50 50 GIGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1cccc(O)c1 33340702 IFOZBTVGLRCYFH-LFVJCYFKSA-N 375.472 4.156 50 50 GIGA C[C@@H](C(=O)O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1 169800120 LXJQZLQHALHKMB-ZBFHGGJFSA-N 381.545 4.024 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(Cl)cc1 4261284 XVABESYUXCHTBC-CIAFOILYSA-N 384.844 4.385 50 50 GIGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 4309461 JJKJZINEDDBKQC-SFHVURJKSA-N 396.372 4.418 50 50 GIGA C#C[C@H](C/C=C/C=C/CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169837782 XGHNQRVQFCNNEM-OUVYXGRJSA-N 390.599 4.060 50 50 GIGA Cc1ccccc1NC(=O)[C@@H]1[C@@H]2[C@H](ON1c1ccccc1)[C@@H]1C[C@@H]2C[C@H]1Cl 252383343 KAQDAEQXVSETDF-QLWGFIFASA-N 382.891 4.386 50 50 GIGA BrCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100648556 KUQPMADWMXBSNN-UHFFFAOYSA-N 385.285 4.498 50 50 GIGA O=C(NNCc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl 263639990 RSJPKQMPMMEIHD-UHFFFAOYSA-N 398.599 4.495 50 50 GIGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1csc2c1CC[C@@H](C)C2 2854619 SKJRMVSOYYYOKV-SNVBAGLBSA-N 393.896 4.001 50 50 GIGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccncc1 4229954 GZGYDNCFXHBAFZ-WGOQTCKBSA-N 395.418 4.218 50 50 GIGA N#C/C(=C\c1ccccc1C(F)(F)F)c1nn(-c2ccccc2)c(N)c1C#N 4996772 QNJCQNJXGICOQE-GXDHUFHOSA-N 379.345 4.409 50 50 GIGA CC1(C)OB(c2cccc([N+](=O)[O-])c2CO[Si](C)(C)C(C)(C)C)OC1(C)C 169976562 SKQVCOFMZVVDQI-UHFFFAOYSA-N 393.365 4.416 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1Cl 1427343 RBNHTQIYCQLBAP-LBPRGKRZSA-N 395.267 4.368 50 50 GIGA CC1(C)[C@H](Br)c2c(cnn2-c2ccccc2)C(=O)[C@@H]1Br 3172025 CGVHERGYTFJMDT-KGLIPLIRSA-N 398.098 4.294 50 50 GIGA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccncc1 17079468 OTTHDKVPUOFJRW-WJDWOHSUSA-N 389.436 4.142 50 50 GIGA CC(C)(C)OC(=O)N1[C@@]2(C)C[C@H](Br)[C@@H](Br)C[C@@]12C 101042680 KVQHWEOFWCKLPY-VHBDMLLGSA-N 383.124 4.075 50 50 GIGA O=C(CCl)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1875375269 WWOCDMMNKJTXGB-UHFFFAOYSA-N 385.748 4.014 50 50 GIGA Cc1c(C(=O)NNC(=S)Nc2ccccc2C(F)(F)F)oc2ccccc12 2853722 NYIISTNSUABKLP-UHFFFAOYSA-N 393.390 4.391 50 50 GIGA O=C(N/N=C/c1ccc(O)cc1O)c1ccc(OCc2ccc(Cl)cc2)cc1 6332735 AWODHDNIGYGGJN-FSJBWODESA-N 396.830 4.094 50 50 GIGA C[C@@H](C(=O)O)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1 169800116 LXJQZLQHALHKMB-GDBMZVCRSA-N 381.545 4.024 50 50 GIGA Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 639595 IGLNHNLYMHONRC-IBGZPJMESA-N 376.847 4.361 50 50 GIGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 731205 MRACIHYJRMJKIO-OEAKJJBVSA-N 389.411 4.246 50 50 GIGA O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 4631274 GJANMWNLFMJKCS-WYMPLXKRSA-N 380.467 4.272 50 50 GIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1ccco1 5020076 VTMCMJHJQNPXPI-HXUWFJFHSA-N 396.443 4.320 50 50 GIGA CC(C)CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 17080123 KQEQBXZQBSSGHC-QGOAFFKASA-N 392.455 4.428 50 50 GIGA Cc1nn(-c2ccccc2)c2c1[C@H](c1c(O)ccc3ccccc13)C(C#N)=C(N)O2 875352 GGORHODMGOSYSN-JOCHJYFZSA-N 394.434 4.258 50 50 GIGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1C 752570 GENWIOFUPVMPMV-VGSWGCGISA-N 386.451 4.212 50 50 GIGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1O 805161 GEMXATNPGSOZAS-RGVLZGJSSA-N 385.217 4.179 50 50 GIGA COc1cccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)c1O 731317 NUUKSSPGQWEYMS-ZVHZXABRSA-N 390.439 4.052 50 50 GIGA Cc1ccc(NC(=O)NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 17081255 OPMRGYOWXFIEGF-UHFFFAOYSA-N 397.438 4.072 50 50 GIGA CC(C)(C)[Si](C)(C)OCCC[C@H](N[C@@H]1CCC(=O)NC1)c1ccccc1 1875347207 KTKQDVQJTWNSBV-MOPGFXCFSA-N 376.617 4.398 50 50 GIGA CC(C)c1ccc([C@H](CNC(=O)C2(C)CCCCC2)NC(=O)CCl)cc1 1875383740 DMDZVCUAYQCXES-SFHVURJKSA-N 378.944 4.293 50 50 GIGA c1ccc([P+](Cn2nnc3ccccc32)(c2ccccc2)c2ccccc2)cc1 94781538 CNVQVQOCXLDYPA-UHFFFAOYSA-N 394.438 4.383 50 50 GIGA in-vitro C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccccc1O 1469508 XXAROTGBXJEUEG-LFVJCYFKSA-N 375.472 4.156 50 50 GIGA COc1cccc(-c2c(NC(=O)CCl)oc3ccc(Cl)cc3c2=O)c1 11765506 IQHKFDSCWHNDIR-UHFFFAOYSA-N 378.211 4.299 50 50 GIGA C[C@@H]1O[C@]1(C)C(=O)[C@@H](Br)[C@H](Br)c1ccc(Cl)cc1 239309380 HMKVJMOQBUSHGB-RINBACNTSA-N 396.506 4.286 50 50 GIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 3169028 FXNBLUDCXNDMAF-MFKUBSTISA-N 381.435 4.390 50 50 GIGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 4795448 AWVRAPUUQDJUFL-UHFFFAOYSA-N 378.042 4.375 50 50 GIGA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cc(N=C=S)ccc21 14982810 GTQFZXYECNSNNC-UHFFFAOYSA-N 389.388 4.400 50 50 GIGA in-vitro CCOc1ccc(/C(CC)=N/NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 9110776 QRGOFAMDQSDSNG-FCDQGJHFSA-N 376.460 4.328 50 50 GIGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 5353472 WJKUQPYCVWZMAR-LPYMAVHISA-N 382.851 4.283 50 50 GIGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4210130 XXEFGHLJJSWSHU-JHAVZTMOSA-N 388.254 4.459 50 50 GIGA Cc1ccc2cc(/C=N/NC(=O)COc3ccc(C)c(C)c3)c(Cl)nc2c1 5795810 DNORSYIEEMLARW-FOKLQQMPSA-N 381.863 4.343 50 50 GIGA COc1ccc(C(=O)N/N=C/c2ccc(OC)c(COc3ccccc3)c2)cc1 15934263 DKQDIBFZSZQGCC-BUVRLJJBSA-N 390.439 4.047 50 50 GIGA C/C(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)=N\NC(=O)c1ccncc1 102308609 JEPWYMZOQHGZOS-LSFURLLWSA-N 399.665 4.176 50 50 GIGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4209984 LGLBFYVMIQXDCA-VTGBELTLSA-N 388.254 4.459 50 50 GIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)cc1 15933782 YSAVCTDQQYTICC-WGOQTCKBSA-N 396.450 4.459 50 50 GIGA CC(C)(C)c1cc(CCC(=O)NNC(=O)c2ccccc2)cc(C(C)(C)C)c1O 1210955 FKJYSTZLYOKSKQ-UHFFFAOYSA-N 396.531 4.381 50 50 GIGA O=C(O)c1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1473585 FCVAMEOVZQXBQR-MFKUBSTISA-N 395.418 4.364 50 50 GIGA CC(C)(C)OC(=O)N1CCC([C@@H]2CN(C(=O)CCl)c3ccccc32)CC1 1875368020 JBMIVXOXJAPBJV-INIZCTEOSA-N 378.900 4.003 50 50 GIGA O=C(Cc1ccccc1)N/N=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 5736318 UPIJKMLJAGMJRX-JKUNIWQBSA-N 385.423 4.371 50 50 GIGA Cc1cccc(CSCC(=O)NNC(=O)Nc2cccc(Cl)c2Cl)c1 17081426 JHHSWZQGFIGIGP-UHFFFAOYSA-N 398.315 4.388 50 50 GIGA O=C(NNC(=S)NCc1ccc(F)cc1)c1sc2ccccc2c1Cl 1118082 IYOHIZBQIUYZEV-UHFFFAOYSA-N 393.896 4.003 50 50 GIGA Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 5059213 IGKOHBQZQCSEEL-JAIQZWGSSA-N 399.450 4.046 50 50 GIGA N#CC1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC12CCCC2 659003 DJURZWLSMAOZRJ-UHFFFAOYSA-N 387.508 4.342 50 50 GIGA OB(O)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 205243435 XSIVQWOJIOHPIZ-UHFFFAOYSA-N 376.264 4.374 50 50 GIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1c(F)cccc1Cl 1474862 NPZMTZPNSNQUHC-UFWORHAWSA-N 379.869 4.331 50 50 GIGA O=C/C(=C\Nc1ccc(Br)cn1)c1nc2cc(Cl)ccc2o1 16667341 VWGIXZATTODPCO-RMKNXTFCSA-N 378.613 4.291 50 50 GIGA CC(C)(C)[C@@H]1CCc2c(C(=O)N/N=C\c3ccc4c(c3)OCO4)csc2C1 32573503 MZRZHSGSMKMLFW-FIEDDBFWSA-N 384.501 4.392 50 50 GIGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2)cc1 2513432 JHEOGZWZUHJGAH-ZMOGYAJESA-N 388.423 4.067 50 50 GIGA Cc1ccc(NC(=O)NNC(=O)COc2cccc3ccccc23)cc1Cl 13322170 VUTMENUBRXFKMH-UHFFFAOYSA-N 383.835 4.033 50 50 GIGA O=C(O)CCSSCCNC(=O)c1ccc(C2CC2)cc1C(F)(F)F 1875388580 HHLJYFTURLDTTI-UHFFFAOYSA-N 393.452 4.169 50 50 GIGA COc1ccc(/C(C)=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 33340695 UUCKEWFAKCXVHO-KOEQRZSOSA-N 389.499 4.459 50 50 GIGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1ccc(Cl)cc1 731420 IQKIBIORRVCVOE-WYMPLXKRSA-N 395.846 4.087 50 50 GIGA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 662959 KQCQMNYKNCEIKG-CVLFLDGLSA-N 399.450 4.055 50 50 GIGA COc1cc(/C(C#N)=C/c2cccc(Br)c2)c([N+](=O)[O-])cc1OC 753047 WMICKIQVQDZBBV-WUXMJOGZSA-N 389.205 4.439 50 50 GIGA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=S)N[C@H](C)c1ccccc1 2856030 WNQGILYKLFDFFC-CVEARBPZSA-N 399.560 4.008 50 50 GIGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)c1cccc(Cl)c1 4210061 PCQCERLKKJXPFK-YDZHTSKRSA-N 394.814 4.029 50 50 GIGA COc1ccc(-c2ccc(/C=N\NC(=O)CNc3ccccc3C)o2)cc1Cl 16667387 ZUOMNLDDZSRKSV-MSXFZWOLSA-N 397.862 4.479 50 50 GIGA C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 2961812 LUSJKXFFQVMUNN-GXDHUFHOSA-N 399.244 4.265 50 50 GIGA Cc1cccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c1 5126162 BPELXCKNSYCZRZ-AFUMVMLFSA-N 380.451 4.401 50 50 GIGA CC(C)(C)c1cc(/C=N/NC(=O)CN2CCCCCC2)cc(C(C)(C)C)c1O 2825933 UCHKBIJYSQNELJ-BUVRLJJBSA-N 387.568 4.313 50 50 GIGA COc1ccccc1/C=N/NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 863654 KULXDKAZKBPOBX-LPYMAVHISA-N 390.468 4.168 50 50 GIGA Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Br)cs1 1210819 ZTHSREXAZXLEBZ-QGMBQPNBSA-N 390.262 4.238 50 50 GIGA Cc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(C)cc2)C(Cl)Cl)cc1 3109732 BZNOSSLHSGLKKD-INIZCTEOSA-N 396.343 4.150 50 50 GIGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(O)cc1 4355339 QZUMMDQULIHASH-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA Cc1ccc(Cl)cc1NC(=S)NNC(=O)Cc1c(F)cccc1Cl 6788832 OSHKCCZBUSKSJO-UHFFFAOYSA-N 386.279 4.001 50 50 GIGA C=CCOc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC(C)=C2C(=O)OCC)cc1 4751310 LRFNACKSYUXZEF-OAQYLSRUSA-N 390.439 4.396 50 50 GIGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1cccc2ccccc12 2387540 ZBFXHIWZLOYMCM-SSDVNMTOSA-N 386.238 4.235 50 50 GIGA CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cl 800671 YKIOBSKKVBHOPJ-OAHLLOKOSA-N 379.243 4.207 50 50 GIGA O=C(CCn1c2ccccc2c2ccccc21)NNC(=S)Nc1ccccc1 2898110 BYSFIIBLEORJFQ-UHFFFAOYSA-N 388.496 4.202 50 50 GIGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1O 5943782 JWDAQMXDZRNYNA-CNHKJKLMSA-N 388.048 4.225 50 50 GIGA CCOc1cc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1O 2513449 JQMZUTOTIZMIRK-BUVRLJJBSA-N 390.439 4.134 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1cccc(Cl)c1 2520400 ZIAGUOGSEZLPCR-ZMOGYAJESA-N 396.805 4.462 50 50 GIGA O=C(CCl)N(Cc1snc2ccccc12)C[C@H]1CCOC2(CCC2)C1 1875384582 UMGRANNEOGLHNR-AWEZNQCLSA-N 378.925 4.213 50 50 GIGA CCc1[nH]nc2c1[C@H](c1ccc3c(c1)c1ccccc1n3CC)C(C#N)=C(N)O2 664105 JMCKGGOWZXWBMM-HXUWFJFHSA-N 383.455 4.318 50 50 GIGA Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2ccccc2O)c1 1049665 SEDNXUZFVGEVSJ-XDEFOSFOSA-N 384.479 4.465 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2F)cc1 1145175 QICLXMCLTCWKHH-NRFANRHFSA-N 390.414 4.219 50 50 GIGA Cc1ccc2cc(/C=N/NC(=O)c3ccc(Br)o3)c(Cl)nc2c1 5795853 XBNFGUMCBHUPEN-UFWORHAWSA-N 392.640 4.316 50 50 GIGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 9274274 HPTJPNOMXFRLJV-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1 5799495 NYXVLVDJHQIHIE-FYJGNVAPSA-N 381.505 4.057 50 50 GIGA CC[C@]1(C(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C 390822668 GNNOCKGGURGXCT-AUUYWEPGSA-N 387.593 4.339 50 50 GIGA COc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(O)c2)c2ccccc2n1 696047 SPOSXPFOHFCWQI-MFKUBSTISA-N 397.434 4.380 50 50 GIGA C=CCOc1ccccc1/C=N/NC(=O)COc1cccc(Cl)c1Cl 4355030 VKSQHDAJRSCIER-SRZZPIQSSA-N 379.243 4.087 50 50 GIGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1 1469438 LTEQVDAWIKAJJA-JJIBRWJFSA-N 383.455 4.029 50 50 GIGA O=C(/C=C/c1ccco1)Oc1cccc(/C=N\NC(=O)c2ccccc2Cl)c1 32625377 BOHDIZNFKIWWRO-PCAIFWSDSA-N 394.814 4.316 50 50 GIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Cl)c1O 1004401 GZSIFXIPAWNZNP-SFHVURJKSA-N 378.815 4.426 50 50 GIGA CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1sc(C)cc1C(=O)OC 17078475 NYMVRMQSFYEYMI-RVDMUPIBSA-N 384.457 4.178 50 50 GIGA O=C(CCCC[C@@H]1CCSS1)NCCn1ccnc1-c1ccccc1 253412475 RBZJGYRATOETLU-QGZVFWFLSA-N 375.563 4.380 50 50 GIGA biogenic COC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CC[C@H](c1ccccc1)C2 74941471 PRPCBZJISDZTNW-AAEUAGOBSA-N 377.893 4.373 50 50 GIGA COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 12363425 UJZPCSKHSQHLHF-BOPFTXTBSA-N 379.416 4.276 50 50 GIGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/C=C/c1ccccc1 4372541 UPIIGZUJDXDRPC-KDBAOUOFSA-N 386.451 4.460 50 50 GIGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl 1428028 GOGLVCDBPAAVIZ-OAHLLOKOSA-N 398.249 4.063 50 50 GIGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 8464209 AEUGPTZJBFZLFC-ZVBGSRNCSA-N 377.206 4.287 50 50 GIGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)ccc2[N+](=O)[O-])cc1 4209317 OEWXVYYGZIOOCX-WSDLNYQXSA-N 396.834 4.420 50 50 GIGA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1 15659561 QBXOWYXLEBVZIH-SDNWHVSQSA-N 395.415 4.219 50 50 GIGA COc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1OC 2530405 JQMFHIQGAATOGG-HZHRSRAPSA-N 376.412 4.260 50 50 GIGA O=[N+]([O-])c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 59710903 NEKFCWIPKANCHG-UHFFFAOYSA-N 384.395 4.214 50 50 GIGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc(Br)ccc1O 2896595 KMWQXBMNASPKBQ-CNHKJKLMSA-N 388.048 4.225 50 50 GIGA CC1(C)O[C@H]2CN(Cc3ccccc3)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 198240323 QQIXCHPHMBTTIZ-CEXWTWQISA-N 377.601 4.413 50 50 GIGA Cc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)o1 1197667 SBMOPZMKGQZRGI-KEBDBYFISA-N 387.233 4.033 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Cl)c(Cl)c1 711277 AIWKGPDVGPWXCW-HNNXBMFYSA-N 385.206 4.318 50 50 GIGA CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cl 800670 YKIOBSKKVBHOPJ-HNNXBMFYSA-N 379.243 4.207 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(Br)cc1 4482717 UUZGIFNGBUVTGJ-VCHYOVAHSA-N 389.278 4.055 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 2821150 WODDULCCHDGYJB-XOBRGWDASA-N 378.378 4.173 50 50 GIGA O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1CCCl 783152 YWFMUROGHSJKTP-HXUWFJFHSA-N 383.904 4.352 50 50 GIGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1c(O)ccc3ccccc13)C(C#N)=C(N)O2 875354 GGORHODMGOSYSN-QFIPXVFZSA-N 394.434 4.258 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccccc1F 2585059 NCXWAPNUZXWFLB-ZMOGYAJESA-N 396.805 4.462 50 50 GIGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 1071410 UBJASPPWQWVIKT-UHFFFAOYSA-N 379.847 4.325 50 50 GIGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1298984 MUPARMRIXAFNLQ-FQEVSTJZSA-N 386.455 4.052 50 50 GIGA Cc1ccc2cc(/C=N/NC(=O)COc3cccc(Cl)c3)c(Cl)nc2c1 5795825 YCUVICKNRVAEEO-LSHDLFTRSA-N 388.254 4.379 50 50 GIGA CC(=O)Oc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 651845 FAKSAIGMAKTINZ-DVECYGJZSA-N 398.462 4.497 50 50 GIGA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1 1209151 VWVNISSZWSEUON-SDNWHVSQSA-N 395.415 4.219 50 50 GIGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 4366369 ZIFAWVVBHGGHCL-PFRBSUFTSA-N 389.411 4.179 50 50 GIGA CCc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1 867934 WSNXMPBCIQHCMD-ZVHZXABRSA-N 384.439 4.262 50 50 GIGA O=C(CCCl)Nc1ccc2c(c1)N(C(=O)CCl)c1ccccc1CC2 2311278 PBHCZNJASDYHSF-UHFFFAOYSA-N 377.271 4.256 50 50 GIGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1sc2ccccc2c1Cl 4229161 GBTJRNDSLQZWIM-UFFVCSGVSA-N 381.844 4.160 50 50 GIGA COc1cc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CC(C)(C)C3)ccc1O 4751901 OYQIWXWWJQRYOQ-HXUWFJFHSA-N 390.439 4.352 50 50 GIGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 9436552 ITKLIYBCWJFTEQ-KRWDZBQOSA-N 392.846 4.347 50 50 GIGA C[C@@H]1C(=O)[C@@]2(COCc3ccccc3)O[C@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C 169832475 ABMGKKRYPUOUMK-DBSRCYSRSA-N 376.569 4.340 50 50 GIGA N#CC1=C2Nc3ccccc3N2C(=O)[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C1 2325809582 LSFBEILZTFZMBK-LLVKDONJSA-N 396.809 4.021 50 50 GIGA Cc1cc(O[C@H](C)C(=O)N/N=C/c2ccc(Br)cc2)ccc1Cl 676043 DIFXENLKPRJNCI-HMASQMOLSA-N 395.684 4.329 50 50 GIGA CCCCOc1cccc(C(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)c1 2852600 HXVOQHXZCSVIDT-UHFFFAOYSA-N 395.887 4.289 50 50 GIGA CC(C)OC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1 1189614 WOHJGGPMAJCDSO-GFCCVEGCSA-N 399.299 4.017 50 50 GIGA COCc1c(C)cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C 2843515 DTNJVPJTIJGVOT-HXUWFJFHSA-N 380.488 4.209 50 50 GIGA CCc1ccc(OCc2cc(/C=N\NC(=O)c3ccco3)ccc2OC)cc1 30860492 UDSLYQMYKYHIAO-UCQKPKSFSA-N 378.428 4.194 50 50 GIGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(C(C)(C)C)s2)C2=C1CC(C)(C)CC2=O 1445978 LHKHBQRKWOTWAL-GOSISDBHSA-N 398.576 4.258 50 50 GIGA CCOC(=O)/C(C#N)=C/c1[nH]c2ccccc2c1Nc1ccc([N+](=O)[O-])cc1 4794811 XFUUCFCXXLLNED-ACCUITESSA-N 376.372 4.290 50 50 GIGA O=C(N/N=C/c1ccccc1O)c1ccccc1OCc1ccc(Cl)cc1 4365508 QFTVDQGYZWDSSF-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA CC(C)(C)c1cc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)[nH]n1 5297273 OTZIPFACLDQXFR-OEAKJJBVSA-N 376.460 4.050 50 50 GIGA CCOc1ccccc1NC(=O)NNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 17081714 WLHIPVNEVYUZBK-HNNXBMFYSA-N 399.491 4.003 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(C(F)(F)F)cc1 1427419 WBQDNTZKWHRCKC-CYBMUJFWSA-N 394.374 4.080 50 50 GIGA CCCC1=C(C(=O)OCC)[C@@H](c2cccc(C(F)(F)F)c2)C(C#N)=C(N)O1 755775 RSTCAGIMLACKSO-HNNXBMFYSA-N 380.366 4.130 50 50 GIGA CCOc1cc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)ccc1O 9363614 SFOKEPZCKCZEFL-MRXNPFEDSA-N 380.469 4.063 50 50 GIGA CC(=NNC(=O)c1ccc(CNc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 245239049 DXSPTKAWOUVHTB-UHFFFAOYSA-N 388.427 4.361 50 50 GIGA Cc1ccccc1NC(=O)[C@@H]1[C@@H]2[C@H](ON1c1ccccc1)[C@@H]1C[C@@H]2C[C@@H]1Cl 252383345 KAQDAEQXVSETDF-RFJDERFISA-N 382.891 4.386 50 50 GIGA Cc1ccc(C(=O)OC[C@@H]2O[C@H](Cl)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 1729832 FJHSYOMVMMNQJQ-QYZOEREBSA-N 388.847 4.040 50 50 GIGA in-vitro CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1 1196990 MNHSDQHTCYEHIK-MHWRWJLKSA-N 398.846 4.136 50 50 GIGA Cc1ccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)cc1Cl 6788791 PXJASEJZNXEOFJ-UHFFFAOYSA-N 386.279 4.001 50 50 GIGA Cc1cc(Oc2ccccc2)ccc1C(=O)NCCSSCCC(=O)O 1875388833 RYUWLHVXASNHFZ-UHFFFAOYSA-N 391.514 4.373 50 50 GIGA O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)Nc1ccccc1 2892527 SFHBHJDKUPLXCU-SRZZPIQSSA-N 383.791 4.454 50 50 GIGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)sc2c1 5676257 UQBNUDVOXWURSP-DJKKODMXSA-N 389.820 4.235 50 50 GIGA Cc1ccccc1NC(=O)[C@@H]1[C@H]2[C@H]3C[C@H](Cl)[C@@H](C3)[C@@H]2ON1c1ccccc1 252383340 KAQDAEQXVSETDF-GHANWAIHSA-N 382.891 4.386 50 50 GIGA C[C@H]1[C@H](O)[C@]2(COCc3ccccc3)O[C@@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C 257356617 JIWKBOIDHNXXGK-VEYVCITQSA-N 378.585 4.132 50 50 GIGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)cc1 629572 UQJVPCMHXLUXSE-LJQANCHMSA-N 376.847 4.361 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(O)cc1 2576221 WHROHZUVTXKXLT-YDZHTSKRSA-N 394.814 4.029 50 50 GIGA Cc1cc(O[C@@H](C)C(=O)N/N=C/c2ccc(Br)cc2)ccc1Cl 676041 DIFXENLKPRJNCI-QDBSGRMGSA-N 395.684 4.329 50 50 GIGA CCCc1cc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c2ccccc2n1 2777089 DBYHWWFTHIRQNF-FOKLQQMPSA-N 395.846 4.333 50 50 GIGA COc1ccccc1NC(=O)/C(C#N)=C/c1coc2ccc(Cl)cc2c1=O 2749311 GNDHBTRUAJHXGT-XYOKQWHBSA-N 380.787 4.001 50 50 GIGA O=C(Cc1ccccc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2584711 DVJKIASLVNHIHL-BUVRLJJBSA-N 392.842 4.252 50 50 GIGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1 2941952 MRTXRJFFMLUZCA-QWYVLEEQSA-N 394.214 4.096 50 50 GIGA C/C(=N/NC(=O)c1ccccc1F)c1ccc(NC(=O)C2CCCCC2)cc1 5020723 QAMJNKCPOXLYMM-MYYYXRDXSA-N 381.451 4.499 50 50 GIGA O=C(N/N=C/c1ccccc1O)c1ccc(OCc2ccc(Cl)cc2)cc1 4360547 PLXWRPGZHHMJSS-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 220979565 FQYNHDFBEBCPMG-OEAKJJBVSA-N 389.411 4.246 50 50 GIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)cc1 5297120 FATGIQBCFVLKDI-OEAKJJBVSA-N 376.460 4.363 50 50 GIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1Cl 3072803 ACDRGCSUWRAMGF-DNTJNYDQSA-N 384.650 4.044 50 50 GIGA C/C(=N\NC(=O)c1sccc1C)c1ccc(NC(=O)c2ccc(C)o2)cc1 5885932 DHDSESASBUJJFF-HYARGMPZSA-N 381.457 4.364 50 50 GIGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/C=C/c1ccccc1 4209460 YZYRDTNSPYDEKI-HJEIRYQDSA-N 397.887 4.100 50 50 GIGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(F)(F)C(F)(F)C(F)(F)F 16739938 CXWAOZMSJZDDPN-IPBDZQFASA-N 385.066 4.276 50 50 GIGA O=C(CCCCCCCC(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1 4763291 HEHRJIWUBDZADI-SIHVKLMXSA-N 392.503 4.018 50 50 GIGA N#CC1=C(N)S[C@H](c2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1Cl 14943537 ANSUFBDAESBCFC-YESZJQIVSA-N 389.839 4.390 50 50 GIGA CC(C)c1cc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cs1 2743924 IHYZUKQXMUJTMD-NGYBGAFCSA-N 395.278 4.127 50 50 GIGA CCCCCOc1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1 4527943 WGHSQXLLXDJFCT-LFVJCYFKSA-N 378.476 4.146 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)cc1 15934142 QZJRDEBUMSOAKA-MFKUBSTISA-N 382.423 4.069 50 50 GIGA C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 2985222 KZFAWNHSXLOKDS-GXDHUFHOSA-N 399.219 4.146 50 50 GIGA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 706139 NNHTUGCQKNIDJG-LJQANCHMSA-N 380.831 4.165 50 50 GIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(F)cc1 2584800 UOSPYYDYRIXTFZ-ZMOGYAJESA-N 396.805 4.462 50 50 GIGA C/C(=N\NC(=O)COCc1ccccc1)c1sc(-c2ccc(C)cc2)nc1C 2325734415 BPHVXPAJPCYARF-JJIBRWJFSA-N 393.512 4.484 50 50 GIGA Cc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 2582352 WSXKSEPTBLILOJ-LLVKDONJSA-N 398.315 4.087 50 50 GIGA Cc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1Br 799746688 PECWCRYONCWPHM-UHFFFAOYSA-N 398.182 4.405 50 50 GIGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 9008087 OPMCNQISGUPDPK-OEAKJJBVSA-N 395.894 4.340 50 50 GIGA C/C(=N\NC(=O)c1ccccc1N)c1cccc(NC(=O)c2sccc2C)c1 13321995 SVHQKLWWDSDRIX-ZVHZXABRSA-N 392.484 4.045 50 50 GIGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 1208132 ZGRBOMIIKQTMOG-SRZZPIQSSA-N 399.790 4.037 50 50 GIGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 6813546 MQMOLBKXMIZEDE-FSJBWODESA-N 382.895 4.295 50 50 GIGA O=C(NN(C(=O)c1ccc(Br)cc1)c1ccccc1)c1ccccc1 3130492 OHITYILHKKHDRQ-UHFFFAOYSA-N 395.256 4.441 50 50 GIGA COc1cc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CC(C)(C)C3)ccc1O 4751903 OYQIWXWWJQRYOQ-FQEVSTJZSA-N 390.439 4.352 50 50 GIGA O=C(c1ccccc1)[C@H](Br)[C@@H](Br)C(=O)c1ccccc1 1686644 BTCCTQSIHBZYIV-ZIAGYGMSSA-N 396.078 4.279 50 50 GIGA COc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)c(OC)c1 2785530 OTUMJXYLISRGDR-HZHRSRAPSA-N 376.412 4.260 50 50 GIGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 2584647 VFGYWFJIFQYKOD-OEAKJJBVSA-N 389.411 4.246 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2F)cc1 1145176 QICLXMCLTCWKHH-OAQYLSRUSA-N 390.414 4.219 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1c(Cl)cccc1Cl 626020 ISBFFJRQOPEHKN-CQSZACIVSA-N 385.206 4.318 50 50 GIGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1 245226842 OBLCOJWRFYHRFV-YDSBSZAKSA-N 387.483 4.414 50 50 GIGA Cc1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1C 4347502 MIOCMWBJJXWAQL-MFKUBSTISA-N 388.467 4.412 50 50 GIGA O=C(N/N=C/c1ccc(O)cc1)c1ccccc1OCc1ccc(Cl)cc1 5717006 KNLMUHWPRHGUCS-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 18115393 CMSOQGKHVFLHPD-LJQANCHMSA-N 392.846 4.169 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(-c2ccccc2)cc1 728143 FTLVVDXJLKIUIU-OAQYLSRUSA-N 391.430 4.413 50 50 GIGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3Cl)[nH]n2)c1 5319154 PLCBTHFKXDPBOP-LPYMAVHISA-N 382.851 4.283 50 50 GIGA COC(=O)c1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1 2377099 HMAQPLPXYGUXRS-PCLIKHOPSA-N 399.450 4.122 50 50 GIGA COC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CC[C@@H](c1ccccc1)C2 74941467 PRPCBZJISDZTNW-WCQYABFASA-N 377.893 4.373 50 50 GIGA Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Br 792570 BRPHWWBIQSNMGP-AWEZNQCLSA-N 393.306 4.270 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccccc1 2576219 RJAYZJHASQCUKB-OEAKJJBVSA-N 378.815 4.323 50 50 GIGA Cc1ccc(C)c(S(=O)(=O)N/N=C(/CCCCl)c2ccc(F)cc2)c1 17078220 JSVPYZUTEAHXQT-FXBPSFAMSA-N 382.888 4.144 50 50 GIGA CCOC(=O)NNC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1 71770400 QINADCALCGMYEE-UHFFFAOYSA-N 391.258 4.125 50 50 GIGA Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 970828 RQDMRECGWKSRHK-IBGZPJMESA-N 376.847 4.111 50 50 GIGA Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 4473411 FWGOLAVNZLXTRI-SFHVURJKSA-N 394.837 4.500 50 50 GIGA Cc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccc(SC#N)cc2)c1C 8022146 DMPOFELGDNDEHW-UHFFFAOYSA-N 383.864 4.363 50 50 GIGA Cc1ccc(O)c(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 793963 QJZRUSPWYCALPW-WSDLNYQXSA-N 390.468 4.173 50 50 GIGA C=CCc1cccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)c1O 1197822 FGEGNEZXHDRVEZ-PCLIKHOPSA-N 386.451 4.464 50 50 GIGA Cn1c(SCC(=O)N/N=C/C(Cl)=C/c2ccccc2)nc2ccccc21 12428125 RPFKUMRZVVJOBW-YPDNTVNXSA-N 384.892 4.047 50 50 GIGA COc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1cccc(Br)c1 16294404 RFWVMGIANDZZFA-BOPFTXTBSA-N 399.288 4.358 50 50 GIGA C[C@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 245241478 FLVKQSUCJXTORD-PPLPZMGASA-N 390.321 4.123 50 50 GIGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 4366371 ZIFAWVVBHGGHCL-LGVXEURYSA-N 389.411 4.179 50 50 GIGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12 17080115 GJWDGTCXPJHJDN-SDNWHVSQSA-N 392.436 4.242 50 50 GIGA Cc1ccc(O[C@@]23c4ccccc4[C@@H]([C@@H]4C=CC=C[C@@H]42)[C@@H]2C(=O)OC(=O)[C@H]23)cc1 1848442354 DGSOMQGPOVAAJX-WTVMUHLNSA-N 384.431 4.054 50 50 GIGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1Cl 2530393 UNWIIOSNRKWALY-OEAKJJBVSA-N 393.830 4.221 50 50 GIGA CCOc1ccc(CC(=O)NNC(=O)Nc2ccc(C(C)C)cc2)cc1OCC 17081712 GPNXRQUBZFBRMT-UHFFFAOYSA-N 399.491 4.003 50 50 GIGA O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccccc1 6343982 DLJZBXMSHYNPDZ-GFMRDNFCSA-N 389.842 4.021 50 50 GIGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)[C@H]2CCCC(C)(C)CC2)cc1 1875384719 VFZMWSHBNMPDJX-YJBOKZPZSA-N 378.944 4.325 50 50 GIGA C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)C1C(=O)c2ccccc2C1=O 100317017 AMPGYZBWDGCIQN-MFKUBSTISA-N 382.419 4.155 50 50 GIGA CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)c(OC)c1 5028338 PQVCHBPKVIASFH-WJDWOHSUSA-N 376.460 4.490 50 50 GIGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1sc2cc(F)ccc2c1Cl 1202804 MPPNXHCHQMEBMX-IFRROFPPSA-N 376.796 4.186 50 50 GIGA CS/C(N)=C(\C#N)[C@H](c1ccccc1Cl)[C@@H](C#N)C(=O)Nc1ccccc1 4756159 KGLHVSSVPALUSS-RFUKWFLFSA-N 396.903 4.259 50 50 GIGA CCCCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC 2085376 HJCMYRTVZUJVRN-HXUWFJFHSA-N 396.487 4.325 50 50 GIGA N#C/C(=C\c1ccc(OC(=O)c2cccs2)cc1)S(=O)(=O)c1ccccc1 2854692 GQFHAVZINMRICU-QGOAFFKASA-N 395.461 4.306 50 50 GIGA COc1ccc(C)cc1NC(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1 1121861 XECVXSQYGBPNKP-UHFFFAOYSA-N 389.455 4.066 50 50 GIGA Cc1ccc2nc(/C(C#N)=C3\C(=O)Nc4ccc(Br)cc43)[nH]c2c1 19898968 MKGZVMSAGRQAQU-VBKFSLOCSA-N 379.217 4.020 50 50 GIGA O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(O)cc1O 43761091 CUVSHXOCHOHBMI-FSJBWODESA-N 396.830 4.094 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)n(-c3ccccc3)n2)cc1 5514006 YMYZWZVFLMVMES-KOEQRZSOSA-N 396.450 4.312 50 50 GIGA CC/C(=N/NC(=O)c1ccc(OC)c(OC)c1)c1ccc(Br)s1 676047 JKPHCBVLXHRZMD-WQRHYEAKSA-N 397.294 4.072 50 50 GIGA Cc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1Br 799754431 MLSJEONIALJTSK-UHFFFAOYSA-N 398.182 4.405 50 50 GIGA O=C(N/N=C/c1cscc1Br)c1ccc(C(F)(F)F)cc1 8873214 ABRJFTVNDXRBGL-BLLMUTORSA-N 377.185 4.293 50 50 GIGA Cc1[nH]nc2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 32540528 QAOCHRFQAWHUKJ-LJQANCHMSA-N 392.846 4.169 50 50 GIGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2)cc1 4347185 MZIHIOGZLOXCFS-MFKUBSTISA-N 388.467 4.412 50 50 GIGA N#C/C(=C\c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 5061694 KXENUWSMUUSKOE-QGOAFFKASA-N 397.390 4.371 50 50 GIGA Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 15685453 QYRZHOSEVUSMIU-JCMHNJIXSA-N 398.510 4.384 50 50 GIGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)cc1 6788281 BAMMPIBNNWENLW-UHFFFAOYSA-N 397.928 4.039 50 50 GIGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2ccc(F)cc2)CCCCC1 732111803 LFDHHQGCIBWMKE-UHFFFAOYSA-N 380.423 4.221 50 50 GIGA N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCOCC1 16699607 LZCXOSGWRVHJPG-XFXZXTDPSA-N 377.227 4.019 50 50 GIGA CC(=O)N/N=C1/CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253498675 JTSYJYALWDMECW-SZKVNMFRSA-N 388.552 4.453 50 50 GIGA biogenic C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccco2)c1 12343220 UVEXAXVRGHVBDC-YDZHTSKRSA-N 381.819 4.339 50 50 GIGA CCCC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1 752557 OKSAFKGKUKYNFB-CQSZACIVSA-N 381.259 4.418 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)cc1 8837264 UIZQMHVOVIMHGE-UFFVCSGVSA-N 389.242 4.156 50 50 GIGA O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1cccc2ccccc12 6403005 SNIYCBOZMUWPKX-UHFFFAOYSA-N 387.867 4.193 50 50 GIGA COc1ccc2[nH]c(/C(C#N)=C\c3cccn3-c3cccc(C(=O)O)c3)nc2c1 5028334 YRKLOARJQNIINQ-PTNGSMBKSA-N 384.395 4.125 50 50 GIGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/C=C/c1ccccc1 2506265 OICARMVKJJTVCE-XZHCKZKCSA-N 385.261 4.443 50 50 GIGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1 3193366 YUYGMUHFJCCSQX-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)[C@H]2CCCC(C)(C)CC2)cc1 1875384718 VFZMWSHBNMPDJX-QAPCUYQASA-N 378.944 4.325 50 50 GIGA COc1cccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)c1 9110112 QWJRYPOPGXKALS-UFFVCSGVSA-N 389.242 4.156 50 50 GIGA N#CC1=C(SCC(=O)c2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 100643108 COPLINDSWHYGQH-HXUWFJFHSA-N 390.464 4.325 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3Cl)[nH]n2)cc1 5297719 GYDLVRINSVPWKP-UFFVCSGVSA-N 389.242 4.156 50 50 GIGA Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)C(C#N)=C(N)O2 32509025 CMSOQGKHVFLHPD-IBGZPJMESA-N 392.846 4.169 50 50 GIGA CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 17080404 FPJOVKWFFDKROL-WOJBJXKFSA-N 393.487 4.143 50 50 GIGA O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1ccc(Cl)cc1 5777634 MDVCXKSFOLHDLE-OEAKJJBVSA-N 379.847 4.362 50 50 GIGA CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O1 1228263 SRTLDRHHUPQLMG-HNNXBMFYSA-N 380.366 4.130 50 50 GIGA Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNC(=S)Nc2ccc(Cl)cc2)c1 2851678 KZSIOABVKMXDBQ-NSHDSACASA-N 398.315 4.087 50 50 GIGA N#C/C(C(=O)c1ccc(Cl)cc1Cl)=C1/NC(=O)c2ccc(Cl)cc2N1 169303799 JKKSCGHDRHRWOQ-VBKFSLOCSA-N 392.629 4.420 50 50 GIGA COc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)c([N+](=O)[O-])c1 226738206 IIXBOOKEPNZPRD-MIOHHHEFSA-N 397.431 4.140 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1Cl 1427344 RBNHTQIYCQLBAP-GFCCVEGCSA-N 395.267 4.368 50 50 GIGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 3192711 PULPJBULPAZENC-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA COC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 220955439 ZOPJTSJVVGOHRN-MKMNVTDBSA-N 375.783 4.147 50 50 GIGA C/C(=N\NC(=O)C1CCCCC1)c1cccc(NC(=O)c2ccccc2F)c1 5516910 AUGIINLNTMFYBD-MFKUBSTISA-N 381.451 4.499 50 50 GIGA O=C(N/N=C/C=C/c1ccccc1)C1=NNC(c2ccccc2)(c2ccccc2)C1 4989693 MMQMDQLXIXGUSZ-NQOJKJTGSA-N 394.478 4.095 50 50 GIGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1 5297172 MRVJCYZVOSZAJQ-ZVBGSRNCSA-N 377.206 4.287 50 50 GIGA CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 2388850 JQVKOFUANWCGLR-LFVJCYFKSA-N 388.423 4.068 50 50 GIGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c1 5125810 IDUVMVUIXYCSBU-AFUMVMLFSA-N 396.450 4.101 50 50 GIGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1csc2c1CC[C@H](C)C2 2854618 SKJRMVSOYYYOKV-JTQLQIEISA-N 393.896 4.001 50 50 GIGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1C 752573 GENWIOFUPVMPMV-HTAPYJJXSA-N 386.451 4.212 50 50 GIGA O=C(N/N=C/c1ccccc1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 6813657 MERUFGJDRVORNG-FSJBWODESA-N 382.895 4.295 50 50 GIGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 668196 DVOMYGZDBGMNEE-OEAKJJBVSA-N 386.411 4.487 50 50 GIGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)c1 5126204 VPEOQQAHGILYOB-OEAKJJBVSA-N 376.460 4.048 50 50 GIGA COc1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 1469466 GQBVVCDJBVVEBF-LFVJCYFKSA-N 375.472 4.069 50 50 GIGA C/C(=N\NC(=O)COc1ccccc1Cl)c1ccc(Br)s1 4702521 VGYMPMHJVMYWPO-RQZCQDPDSA-N 387.686 4.083 50 50 GIGA CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(O)cc2)sc2c1CCCC2 5068602 AHJLEEUHEUXMJF-KAMYIIQDSA-N 396.468 4.055 50 50 GIGA C#CCOc1ccc(Br)cc1/C=C(/C#N)c1nc2ccccc2[nH]1 5028258 CCHAYOAXLTWTEY-UVTDQMKNSA-N 378.229 4.402 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1cccc([N+](=O)[O-])c1 12689693 JYFMMDFGJYMTBK-OEAKJJBVSA-N 399.410 4.292 50 50 GIGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(Br)c1 1192708 MBENVFCSLHMKCF-VSMYLPJWSA-N 381.657 4.020 50 50 GIGA Br[C@@H]1[C@H]2C[C@@](Br)(c3ccccc32)[C@@H]1Br 104300422 KKWOYYHIDKQBPV-AYHFEMFVSA-N 380.905 4.305 50 50 GIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1 4210351 IQZCPHFMFUSVKO-JFLMPSFJSA-N 395.462 4.182 50 50 GIGA CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 17080405 FPJOVKWFFDKROL-UXHICEINSA-N 393.487 4.143 50 50 GIGA C/C(=N\NC(=O)COCc1ccccc1)c1ccc(N2CCCCCC2)cc1 2325734434 VDBXFNAAEQJFHO-LYBHJNIJSA-N 379.504 4.124 50 50 GIGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 2543117 ZCNWKGGDUUQEFL-ZMOGYAJESA-N 396.805 4.462 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1cccc(O)c1 5354207 YZKGDRHFJPXBKZ-UFFVCSGVSA-N 389.242 4.243 50 50 GIGA Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 639592 IGLNHNLYMHONRC-LJQANCHMSA-N 376.847 4.361 50 50 GIGA COC(=O)c1cc(Br)ccc1C(Br)Br 97972948 ADBQOKFPSDJLQB-UHFFFAOYSA-N 386.865 4.024 50 50 GIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1Cl 3072805 WJNNTWBDEZIKCI-DNTJNYDQSA-N 384.650 4.044 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 5297723 QBQLORRNNYCHMZ-UFFVCSGVSA-N 389.242 4.156 50 50 GIGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(Cl)cc1 4372538 UJPCKTGWVDXOKU-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA C#CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1 12342717 JIKQRRZUJJDZIU-GDNBJRDFSA-N 383.201 4.433 50 50 GIGA Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 15685586 JIZQNSYXBALGOY-BKUYFWCQSA-N 399.450 4.016 50 50 GIGA CC[C@H](C)c1ccc(-c2cc(C(=O)NNC(=S)NC)c3ccccc3n2)cc1 6707456 WMQWAGOAZNEXAW-AWEZNQCLSA-N 392.528 4.154 50 50 GIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)[nH]n2)cc1 5634019 XQBWNZXDXWYBLW-LPYMAVHISA-N 382.851 4.283 50 50 GIGA CC(C)(C)[Si](C)(C)OCc1cc(=O)c(OCc2ccccc2)c(C(=O)O)o1 169808690 SPLBCUGMOHNHOB-UHFFFAOYSA-N 390.508 4.439 50 50 GIGA Cc1cnsc1CN(Cc1sccc1Br)C(=O)CCl 1875383734 DLWDIZHDPYVAAF-UHFFFAOYSA-N 379.732 4.043 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1F 752607 GLFJYEXTUYYIRC-ZUOKHONESA-N 378.378 4.173 50 50 GIGA COc1ccccc1OCc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 2751285 DYVUWJFWXLVXBE-UHFFFAOYSA-N 379.368 4.402 50 50 GIGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2 629580 KQBCKIMRFIEKHV-GOSISDBHSA-N 380.810 4.191 50 50 GIGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@H](O)c1ccccc1 731365 SETZRAFCOCKXES-JHXRPTDYSA-N 394.858 4.103 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cccc(Cl)c1 2584750 XRLMCTFVUCKXNB-CIAFOILYSA-N 384.844 4.385 50 50 GIGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 2543043 QBMNLZBFFZRKHF-YDZHTSKRSA-N 394.814 4.029 50 50 GIGA N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cccnc1 6829692 ZKSQGNHNHKRELX-HXUWFJFHSA-N 391.434 4.152 50 50 GIGA Cc1cc(C(=O)NCCSSCCC(=O)O)c(C)n1C1CCCCC1 1875388503 DPMWQPJBWXUTHO-UHFFFAOYSA-N 384.567 4.196 50 50 GIGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1 1759111 NHYDZXUWLIYHDG-BUVRLJJBSA-N 383.455 4.060 50 50 GIGA CCOC(=O)C1=C(c2ccccc2)NC(SCC)=C(C#N)[C@H]1c1cccnc1 1089527 FXKRUHFBWXBHRN-GOSISDBHSA-N 391.496 4.231 50 50 GIGA CCn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nc2ccccc21 1193375 CKVGLLSULKWAEV-LPYMAVHISA-N 380.517 4.422 50 50 GIGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(C(C)(C)C)s2)C2=C1CC(C)(C)CC2=O 1445979 LHKHBQRKWOTWAL-SFHVURJKSA-N 398.576 4.258 50 50 GIGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)cc3)[nH]n2)cc1 4677946 DRQWQIZAORUFTL-HZHRSRAPSA-N 392.459 4.028 50 50 GIGA Cc1[nH]nc2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 32540529 QAOCHRFQAWHUKJ-IBGZPJMESA-N 392.846 4.169 50 50 GIGA O=C(CSc1ccc2ccccc2n1)N/N=C/c1c(O)ccc2ccccc12 1030128 DWMRZCRMVOHKGW-YDZHTSKRSA-N 387.464 4.336 50 50 GIGA C/C(=N\NC(=O)c1ccccc1C)c1ccc(NC(=O)c2cccs2)cc1 1200380 RPEJFSUSPKOPJU-HZHRSRAPSA-N 377.469 4.463 50 50 GIGA CC(C)(C)[Si](C)(C)OCCC[C@H](N[C@H]1CCC(=O)NC1)c1ccccc1 1875347208 KTKQDVQJTWNSBV-OALUTQOASA-N 376.617 4.398 50 50 GIGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 5033447 ULCWLFFMOPMCBP-DHRITJCHSA-N 387.487 4.123 50 50 GIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1 4677789 MSGPKZPOARSMCY-ZVHZXABRSA-N 387.443 4.111 50 50 GIGA N#C/C(=C\c1ccco1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 5008913 QZOIDLBNORPBRJ-KPKJPENVSA-N 391.364 4.482 50 50 GIGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1C 752572 GENWIOFUPVMPMV-JTSKRJEESA-N 386.451 4.212 50 50 GIGA N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cccnc1 6402946 ZKSQGNHNHKRELX-FQEVSTJZSA-N 391.434 4.152 50 50 GIGA O=C(CCl)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12 2895984 QRXPGXSAIOUKJP-UHFFFAOYSA-N 385.691 4.329 50 50 GIGA N#Cc1ccc(NNC(=O)c2cccc(Br)c2)c(C(F)(F)F)c1 799752809 ULGCIBBJFBGCQE-UHFFFAOYSA-N 384.155 4.096 50 50 GIGA COc1cc(/C=C(\C#N)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 2874806 JDJLOZJJOQNLQV-NTUHNPAUSA-N 389.205 4.439 50 50 GIGA N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(F)cc1 1191685 SJACJCFSJXNHBY-RVDMUPIBSA-N 376.343 4.330 50 50 GIGA O=C(N/N=C/c1ccc(Cl)cc1)C(Oc1ccccc1)Oc1ccccc1 2902704 DIHVFGYXKPVKGV-HZHRSRAPSA-N 380.831 4.274 50 50 GIGA COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)C2CCCCC2)cc1 8344185 XDFKRYYINDNOFE-BUVRLJJBSA-N 394.471 4.083 50 50 GIGA COc1ccc(Cl)cc1NC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5060928 YIHKUYCIZLGEOO-UHFFFAOYSA-N 391.899 4.108 50 50 GIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)cc1 9110344 KIWUVHPRDYLCIB-LFVJCYFKSA-N 390.487 4.438 50 50 GIGA Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 15745711 JJWIUOAZQCEQGO-QPEQYQDCSA-N 386.205 4.211 50 50 GIGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(Br)cc1 4992230 LSYCBEWOPLZXJK-MTJSOVHGSA-N 383.245 4.462 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1C(F)(F)F 2322752 XTAZUJXPBIWIMA-OAHLLOKOSA-N 384.313 4.030 50 50 GIGA N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@H]1c1cccs1 720254 BRXZIACRRVRZOQ-QGZVFWFLSA-N 383.423 4.331 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(O)cc1 4372695 KRDXDXAXLKTBFG-YDZHTSKRSA-N 394.814 4.029 50 50 GIGA COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1OC 6684227 QLNYLJBEECAJEW-BUVRLJJBSA-N 390.439 4.047 50 50 GIGA CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1ccco1 5020382 KQJRONHIKGFABA-IBGZPJMESA-N 395.440 4.406 50 50 GIGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5317604 PBOLEQNSCBHPFQ-BUVRLJJBSA-N 382.423 4.213 50 50 GIGA C/C(=N\NC(=O)COc1cc(C)ccc1C)c1ccc(Br)s1 1234636 JLWZSGMWCOYZOG-LDADJPATSA-N 381.295 4.047 50 50 GIGA CC(C)(C)OC(=O)N/N=C(\N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 43769308 BCYBMLDNOCQOAZ-UHFFFAOYSA-N 385.308 4.064 50 50 GIGA CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=C[C@@H]1C 169836244 HMLHNJJVSXFJPV-JTAQYXEDSA-N 396.603 4.127 50 50 GIGA CC[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12 1201566 TWXZFUILQIXFST-QQZPLFJDSA-N 399.292 4.271 50 50 GIGA N#CCCn1cc(/C=C(/C#N)C(N)=S)c(-c2ccc(-c3ccccc3)cc2)n1 2998661 RZOUVDVTYWAPJH-UYRXBGFRSA-N 383.480 4.324 50 50 GIGA Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 4473410 FWGOLAVNZLXTRI-GOSISDBHSA-N 394.837 4.500 50 50 GIGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccccc1Br 1212881 FIPYHZLHRMRFCN-CIAFOILYSA-N 383.245 4.131 50 50 GIGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 4372868 NTXVKVXYEIWQAX-SRZZPIQSSA-N 379.243 4.087 50 50 GIGA O=C(NNc1cccc(Cl)c1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225471653 FPLAFVNSOBJOGV-SJORKVTESA-N 397.828 4.094 50 50 GIGA Cc1occc1C(=O)N/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 6825183 WTIATQVCWLIMKV-ZVHZXABRSA-N 384.439 4.264 50 50 GIGA C/C(=N/NC(=O)COc1cccc(Cl)c1)c1ccc(Br)cc1 12342863 VTIGSRSGLGQIBG-ODLFYWEKSA-N 381.657 4.022 50 50 GIGA CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 4751898 OOZVQADKAVEMHG-HXUWFJFHSA-N 388.423 4.366 50 50 GIGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)[nH]n1 9013236 VWFZDLQVHZVVSM-OEAKJJBVSA-N 376.460 4.363 50 50 GIGA O=C(NNc1ccccc1)C(=O)Nc1cccc(Oc2ccnc3ccccc23)c1 185221346 VMAYPGMKYHWNSZ-UHFFFAOYSA-N 398.422 4.109 50 50 GIGA C[C@H](C(=O)O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1 169800118 LXJQZLQHALHKMB-HOCLYGCPSA-N 381.545 4.024 50 50 GIGA O=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2ccccc2)nc2ccccc12 1476761 HUVLSHSUKBPEMM-ZVHZXABRSA-N 383.407 4.077 50 50 GIGA CC[C@H](Br)C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 74941507 IYOZHYHUFADSTR-VKHMYHEASA-N 382.073 4.374 50 50 GIGA C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C 195767186 ZIFLDVXQTMSDJE-UHFFFAOYSA-N 386.637 4.432 50 50 GIGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5297084 NDHAAAFSLAISPM-DHRITJCHSA-N 384.414 4.232 50 50 GIGA Cc1cc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc(C)c1Cl 939569 FGKNYRGRPKFVBI-UHFFFAOYSA-N 388.895 4.094 50 50 GIGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccc(C(C)C)cc1 6401638 OXUDTILEMVWUQI-UHFFFAOYSA-N 387.574 4.369 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 705313 CPJUBBVTYOPJLQ-OAHLLOKOSA-N 384.313 4.030 50 50 GIGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cccnc2)C2=C1CCCC2=O 2573642 WITAKZISZKWCNK-FQEVSTJZSA-N 390.874 4.348 50 50 GIGA FCc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(S)o1 100722504 DAXSURQRTVOXDW-UHFFFAOYSA-O 394.431 4.052 50 50 GIGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccc4ccccc34)[nH]n2)c1 9302016 ZGCKZZRFNVPPEG-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA COc1ccc2[nH]c(/C(C#N)=C\c3cccn3-c3cccc([N+](=O)[O-])c3)nc2c1 4739827 MOKKYMNKJPAAJG-UVTDQMKNSA-N 385.383 4.335 50 50 GIGA COc1ccc(/C=N/NC(=O)C2CC2)cc1COc1ccc(C(C)(C)C)cc1 667227 SIOSXELCNAZPMU-ZVHZXABRSA-N 380.488 4.432 50 50 GIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccccc2)cc1 939556 WVQNBOSTGKHYAP-UHFFFAOYSA-N 382.504 4.240 50 50 GIGA O=C(NNc1cccc(Cl)c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225471682 FPLAFVNSOBJOGV-IRXDYDNUSA-N 397.828 4.094 50 50 GIGA O=C(N/N=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Cl 668590 AZLNGQGXOPSNFW-SRZZPIQSSA-N 399.790 4.184 50 50 GIGA CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2F)sc2c1CCCC2 4558004 WKOPKNYOGFYOSU-KAMYIIQDSA-N 398.459 4.488 50 50 GIGA O=C(N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)c1ccc(O)cc1 12375729 ZIPFFLXIKANDJL-LFSOJEIQSA-N 387.395 4.148 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1c(F)cccc1Cl 1428243 KOXJFOCNWMDJCL-CQSZACIVSA-N 384.819 4.272 50 50 GIGA C/C(=C\CCC(=O)O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169833573 DMGZCDNYSGWEQW-XDHOZWIPSA-N 382.576 4.374 50 50 GIGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 2544351 OANQANDYSXIFHP-JFLMPSFJSA-N 395.462 4.182 50 50 GIGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1 17077502 YCKSGQIQDMDDHP-ZROIWOOFSA-N 378.819 4.284 50 50 GIGA CC1(C)OB(c2cc(OCCBr)c(Cl)cc2Cl)OC1(C)C 169936569 OCTASHZGJVAHBC-UHFFFAOYSA-N 395.917 4.066 50 50 GIGA CC/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(-c2ccccc2)cc1 4458541 HUEUIBHXBXNFQV-BJHAJFLLSA-N 386.451 4.424 50 50 GIGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccccc3Cl)c2C)cc1 1807092 KMFXQFBYCMDSCA-WSDLNYQXSA-N 382.851 4.201 50 50 GIGA Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2892288 HYQMVLFUPXUMPJ-DNTJNYDQSA-N 384.650 4.044 50 50 GIGA COc1cccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)c1O 5918714 LSAXXPLXEGOSPJ-BUVRLJJBSA-N 387.439 4.049 50 50 GIGA O=C(Nc1ccccc1C(=O)N/N=C\c1ccccc1O)c1ccccc1Cl 17024667 ZBFKDZQRANNVMU-QRVIBDJDSA-N 393.830 4.062 50 50 GIGA Cc1ccc(C(O)(C(=O)NNc2ccc3ccccc3n2)c2ccc(C)cc2)cc1 825224 YEBLXZQAHSAKQW-UHFFFAOYSA-N 397.478 4.231 50 50 GIGA Cc1ccc(NC(=O)NNC(=O)C2c3ccccc3Oc3ccccc32)c(C)c1 17079080 CBTSTKRMBCDTLA-UHFFFAOYSA-N 387.439 4.394 50 50 GIGA O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)NC12CC3CC(CC(C3)C1)C2 5073892 REKGLAFOMXAMFK-ZVBGSRNCSA-N 382.291 4.301 50 50 GIGA Cc1cccc(NC(=O)NNC(=O)c2c(-c3ccccc3Cl)noc2C)c1 657026 XGFCRXFFPNDJEB-UHFFFAOYSA-N 384.823 4.078 50 50 GIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccco1 1199089 LHUIZUDXTZMSSR-NRFANRHFSA-N 392.480 4.489 50 50 GIGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 799153 MOECRYVMRBATQQ-HZHRSRAPSA-N 386.411 4.243 50 50 GIGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(O)c1 1947920 YXNYOEMFRIKNJW-SRZZPIQSSA-N 380.275 4.309 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccc(C)cc1 5125862 KYLUDKJSQZUMLS-FYJGNVAPSA-N 397.276 4.302 50 50 GIGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2)cc1 4354865 PQCCHYLPNQYFCV-MFKUBSTISA-N 388.467 4.412 50 50 GIGA CC(C)c1ccc(/C=C/C(=O)NNC(=O)c2cccc(Br)c2)cc1 1230085 RCIYVBAMIKPMCD-DHZHZOJOSA-N 387.277 4.047 50 50 GIGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1O 2513474 BXZUJVHRIJZDHR-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)cc1 6400911 DIIMLEANMFXBNG-UHFFFAOYSA-N 397.928 4.039 50 50 GIGA O=C(N/N=C\c1cccc(Cl)c1Cl)c1n[nH]c2c1CCc1ccccc1-2 32625302 SJVOIEDZNMBZHU-YVNNLAQVSA-N 385.254 4.246 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc2ccccc2c1 1427345 PYJJPTZIJUWKID-KRWDZBQOSA-N 376.437 4.215 50 50 GIGA COc1cccc(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(Cl)cc2)c1 17077503 UEUJYUBLWCNMHO-NTEUORMPSA-N 378.819 4.284 50 50 GIGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1C(F)(F)F 102294014 XYNWHSBYPDNUCU-AFUMVMLFSA-N 399.457 4.412 50 50 GIGA C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc(Cl)cc1 1213853 IIIQPNNYBPIYCF-VSMYLPJWSA-N 381.657 4.020 50 50 GIGA ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]([C@@H](Cl)[C@@H]4O[C@@H]43)[C@@]1(Cl)C2(Cl)Cl 101145699 ZXFXBSWRVIQKOD-UJOFMJECSA-N 389.320 4.453 50 50 GIGA N#C/C(=C\c1ccc(Br)cc1)c1nn(-c2ccccc2)c(N)c1C#N 4474706 JEVCNSIEHLNYPA-GXDHUFHOSA-N 390.244 4.153 50 50 GIGA CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(N=C=S)cc3)cccc12 2149748 MZGXHCHKGRQLHR-UHFFFAOYSA-N 383.498 4.441 50 50 GIGA in-vitro Cc1c(Cl)cccc1NC(=S)NNC(=O)Cc1c(F)cccc1Cl 6527129 DPYDNNWVHDEAMU-UHFFFAOYSA-N 386.279 4.001 50 50 GIGA CC(C)CCOc1ccc(CN(CC(C)(C)N(C)C)C(=O)[C@H](C)Cl)cc1 1875363725 VJJCNTYRUSJZLG-KRWDZBQOSA-N 382.976 4.408 50 50 GIGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1 713293 KGJATOGRGSDILG-NRFANRHFSA-N 384.483 4.331 50 50 GIGA CC(=O)c1cccc(NC(=S)NNC(=O)c2ccc(-c3ccccc3)cc2)c1 2857501 ZEHWATNAISVNAO-UHFFFAOYSA-N 389.480 4.188 50 50 GIGA Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)Cc2c(Cl)cccc2Cl)cc1 13369905 LTNNFOSMKWCYEK-LSHDLFTRSA-N 387.270 4.385 50 50 GIGA O=C(NNC(=S)Nc1ccc(Cl)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 653629 PZQVOJSWNUVGTK-GJZGRUSLSA-N 380.300 4.115 50 50 GIGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc3ccccc3c2)[nH]n1 8690033 VXASWGPGDJKNIK-AFUMVMLFSA-N 379.423 4.475 50 50 GIGA N#CC(C#N)=C(N/C(=N/c1ccccc1)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 25692188 YMIZGNJALJZZGJ-UHFFFAOYSA-N 385.305 4.126 50 50 GIGA C[C@@H](NC(=O)C[C@@H](NC(=O)CCl)c1ccccc1)c1ccc(Cl)s1 1875384758 WNVGBQHYYJKEGY-DGCLKSJQSA-N 385.316 4.065 50 50 GIGA CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O1 752556 OKSAFKGKUKYNFB-AWEZNQCLSA-N 381.259 4.418 50 50 GIGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(Br)c1 1192712 MBENVFCSLHMKCF-VURRPDKYSA-N 381.657 4.020 50 50 GIGA O=C(N/N=C/c1cccnc1)c1sc2cc(Br)ccc2c1Cl 2777326 AJVXBTVCIDMSKO-UFWORHAWSA-N 394.681 4.476 50 50 GIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)n[nH]1 4677795 OBOWYZKRPZOMBH-PCLIKHOPSA-N 396.450 4.420 50 50 GIGA CC[C@@H](Br)C(=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 74941509 IYOZHYHUFADSTR-GSVOUGTGSA-N 382.073 4.374 50 50 GIGA C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](Br)C21OCCO1 1848443935 WYIBGUUFQXYIQI-ZRSRNVLSSA-N 393.321 4.365 50 50 GIGA N#CC1=C(SCC(=O)c2cccs2)NC(=O)C[C@H]1c1ccccc1Cl 8994644 JGDDYQRIELIDRX-LBPRGKRZSA-N 388.901 4.356 50 50 GIGA CC(=NNC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1 245240188 OTDFCELACZUSHG-UHFFFAOYSA-N 375.403 4.232 50 50 GIGA aggregator COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1O 1196765 MYKHUXVGRCSZAR-MFKUBSTISA-N 397.434 4.380 50 50 GIGA O=C(COc1cccc(Cl)c1)N/N=C/c1cccc(OCc2ccccc2)c1 4283425 UIAPSDRCRMNLKN-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA CC(C)CCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccc2c(c1)OCO2 17080122 MOUXNFJYMNKPMR-XDHOZWIPSA-N 392.455 4.064 50 50 GIGA N#C/C(C(N)=O)=C1\Oc2c(cc(O)cc2-c2ccc(Cl)c(Cl)c2)S1 13582888 STDQFXFXKPYGLU-YBEGLDIGSA-N 379.224 4.071 50 50 GIGA Cc1ccc(-c2cc(C(=O)N/N=C/C(Br)=C/c3ccccc3)[nH]n2)o1 8558571 NECFKNBGKKRENB-ABMAFKSBSA-N 399.248 4.130 50 50 GIGA CCOc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1OC 9012181 PARPPPINWQHJIJ-KRWDZBQOSA-N 394.496 4.366 50 50 GIGA CC(=O)OC[C@H](Br)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100072483 SCFZBSSVEAPKOB-BFKVFCTQSA-N 380.120 4.047 50 50 GIGA CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccccc2)nc2ccccc21 13898729 NQNACJFAXMSOAP-JCIZPVLLSA-N 378.501 4.354 50 50 GIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O 1457998 QHOFVKUEEJMXOJ-MFKUBSTISA-N 397.434 4.380 50 50 GIGA O=C(N/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1)c1ccncc1 1001930 IUSIQMRXAGIZRX-LSHDLFTRSA-N 390.226 4.324 50 50 GIGA O[C@H](CCl)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1 1423365 VDNXGTYGSQQPTD-MRXNPFEDSA-N 377.875 4.192 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cc2ccccc2o1 4282498 HTTXSCBXWOPGRX-LPYMAVHISA-N 390.420 4.477 50 50 GIGA CCc1sc(C(=O)NNC(=S)Nc2ccccc2C)cc1Br 2794097 KYYIZLIJPLUYPR-UHFFFAOYSA-N 398.351 4.013 50 50 GIGA C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccccc2I)C1 97050924 XPBCAPUPOVQBTA-NIGUIEARSA-N 394.256 4.309 50 50 GIGA O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1cccc(Cl)c1 4526358 UGDDWQGQRJTFGY-QOMWVZHYSA-N 384.826 4.446 50 50 GIGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc3ccccc3c2)C2=C1CC(C)(C)CC2=O 1080318 QWQHVLLBNKYBNC-NRFANRHFSA-N 386.499 4.053 50 50 GIGA COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)cc1 1190864 NWTGNTXBAOFASC-XSFVSMFZSA-N 399.450 4.426 50 50 GIGA O=C(NNC(=S)Nc1cccc2ccccc12)c1ccccc1-n1cccc1 2792653 RSROCCCRDUSNJH-UHFFFAOYSA-N 386.480 4.262 50 50 GIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC)cc1 102294412 CNSPFABBKLBDIC-JJIBRWJFSA-N 389.540 4.182 50 50 GIGA Cc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5126161 CZHQRCWWRJDFJI-AFUMVMLFSA-N 380.451 4.401 50 50 GIGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C(/C)c2ccccc2)[nH]n1 5296751 IHDARQJGHBZXLL-IWIPYMOSSA-N 384.439 4.393 50 50 GIGA COc1ccccc1C=NNC(=O)CCn1c2c(c3ccccc31)CCCC2 239025337 BKXZZDSIBKMCGU-UHFFFAOYSA-N 375.472 4.069 50 50 GIGA Cc1cccn2c(=O)c(/C=C(/C#N)c3nc4ccccc4s3)c(Cl)nc12 214475224 XFBRMXZNMQAQGR-XFXZXTDPSA-N 378.844 4.330 50 50 GIGA N#CC1=C(N)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)C12CCCCC2 4006732 BQRLMJWBOUVBKZ-UHFFFAOYSA-N 398.919 4.239 50 50 GIGA Cc1ccc2cc(/C=N/NC(=O)COc3ccccc3Cl)c(Cl)nc2c1 2521953 XKLABUBKGHTOSL-LSHDLFTRSA-N 388.254 4.379 50 50 GIGA C=CCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2101035 SFRFHHZHUVRZBK-KOEQRZSOSA-N 386.451 4.448 50 50 GIGA Cc1ccc(C(=O)OC[C@@H]2O[C@@H](Cl)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 2568038 FJHSYOMVMMNQJQ-CEXWTWQISA-N 388.847 4.040 50 50 GIGA in-vitro C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4209983 LGLBFYVMIQXDCA-JHAVZTMOSA-N 388.254 4.459 50 50 GIGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 1216143 MOFPJVOJSRKMRP-VSMYLPJWSA-N 381.657 4.020 50 50 GIGA COC(=O)c1c(CBr)nc2n(Cc3ccccc3)c3ccccc3n12 1425703 FAVJFFRJZYBSRC-UHFFFAOYSA-N 398.260 4.019 50 50 GIGA COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1OC 2379695 BGYVHUUNXGOKJT-BUVRLJJBSA-N 390.439 4.047 50 50 GIGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(CC)CC)cc3)[nH]n2)cc1 5126189 PJBAORPFFAPGMB-LFVJCYFKSA-N 389.503 4.249 50 50 GIGA CON(C)C(=O)CC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C 169837430 ZLVQVKYHTJHPLQ-HNNXBMFYSA-N 377.674 4.418 50 50 GIGA CCOC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc3c(c2)CCC3)c1 6401451 BVGNXBIHCROZCP-ODLFYWEKSA-N 377.440 4.233 50 50 GIGA CC(C)c1ccc(Cl)cc1C(=O)N[C@H]1CC[C@H](CNC(=O)CCl)CC1 1875383150 IXHRVAXTYWKTCS-CTYIDZIISA-N 385.335 4.107 50 50 GIGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 2530369 XYMKCJOOBLEWTH-ZMOGYAJESA-N 388.423 4.067 50 50 GIGA CS/C(N)=C(\C#N)[C@H](c1ccccc1Cl)[C@H](C#N)C(=O)Nc1ccccc1 4756161 KGLHVSSVPALUSS-NXWYPQIHSA-N 396.903 4.259 50 50 GIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCC)cc3)[nH]n2)cc1 4677818 SOKUPIGIJDRSDU-HZHRSRAPSA-N 392.459 4.028 50 50 GIGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)[C@@H]2CCCC(C)(C)CC2)cc1 1875384716 VFZMWSHBNMPDJX-CRAIPNDOSA-N 378.944 4.325 50 50 GIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)cc1 17016188 PVVHGCFPMULNCB-OEAKJJBVSA-N 376.460 4.048 50 50 GIGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1 4677708 DEZMELDQIFDKJG-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2cccs2)cc1 4229800 PFBCGZPWOLKUTC-IYDFJQPQSA-N 376.437 4.131 50 50 GIGA CCn1cc(/C(C)=N/NC(=O)c2sc3cc(F)ccc3c2Cl)c(C)n1 5878919 LVXVSQSGAJDNCL-AWQFTUOYSA-N 378.860 4.373 50 50 GIGA N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)c1ccc(F)cc1 16393231 KXDVMQGWBNITDR-QPEQYQDCSA-N 376.181 4.116 50 50 GIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 4260311 SWWZPZPZRCKMKD-ZVHZXABRSA-N 376.387 4.117 50 50 GIGA CC(C)c1ccc(-c2cc(C(=O)NN)c3cc(Br)ccc3n2)cc1 5912951 NREFDNBERMMWEE-UHFFFAOYSA-N 384.277 4.391 50 50 GIGA N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 4982569 SEQQWIZSDWPJKU-UKTHLTGXSA-N 392.396 4.424 50 50 GIGA O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(O)cc1 220978195 QMWXSXZWFLNRRV-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)[nH]n2)cc1 5297722 MXXIOTPQMGIRIV-OEAKJJBVSA-N 376.460 4.147 50 50 GIGA CCn1cc(/C=N/NC(=O)c2sc3cccc(Cl)c3c2Cl)c(C)n1 695937 BCDQTTFYNKCPCZ-FBCYGCLPSA-N 381.288 4.497 50 50 GIGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O1 752610 IXIJACAEFRPXSK-OAHLLOKOSA-N 381.259 4.418 50 50 GIGA N#CC1=C(SCC(=O)c2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 2230606 COPLINDSWHYGQH-FQEVSTJZSA-N 390.464 4.325 50 50 GIGA COc1ccc(CO[C@H]2C[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2F)cc1 206024020 YIZSFSOJROHSQG-XGXHKWSGSA-N 384.564 4.321 50 50 GIGA C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc(Cl)cc1 1213856 IIIQPNNYBPIYCF-VURRPDKYSA-N 381.657 4.020 50 50 GIGA CCOc1ccccc1NC(=O)NNC(=O)c1sc2ccccc2c1Cl 1117733 OWIRXPXURPRGOE-UHFFFAOYSA-N 389.864 4.420 50 50 GIGA C/C(=N\NC(=O)c1ccccc1O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 4957064 ZSISRLIULYHPRM-PCLIKHOPSA-N 387.439 4.107 50 50 GIGA c1ccc([P+](CCCC2OCCO2)(c2ccccc2)c2ccccc2)cc1 101081779 JGHGIYADPOMCAG-UHFFFAOYSA-N 377.444 4.134 50 50 GIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 2544055 GSSVRVCYVLZRAG-JFLMPSFJSA-N 395.462 4.182 50 50 GIGA N#CC1=C(Nc2ccccc2)SC=C(c2ccccc2)N=C1N1CCOCC1 4053015 OSDQQPDXBLQBSP-UHFFFAOYSA-N 388.496 4.310 50 50 GIGA COc1ccc(Br)cc1C(=O)N/N=C/c1cccc2ccccc12 657705 LMVOSIKUKOQTHM-CIAFOILYSA-N 383.245 4.375 50 50 GIGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OCC)cc3)n[nH]2)cc1 1197121 PJAGVCOIUILIEE-HZHRSRAPSA-N 392.459 4.028 50 50 GIGA COc1ccc(/C=N/NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 667222 LAXNDYXXXPSFHR-DJKKODMXSA-N 389.820 4.235 50 50 GIGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)cs2)[C@H]2CCCC=C12 1103340 LSHOQMYJRMOQSI-SWLSCSKDSA-N 385.290 4.104 50 50 GIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(CC)cc3)[nH]n2)cc1 4678079 IIPJWXKHQUUQES-HZHRSRAPSA-N 376.460 4.192 50 50 GIGA O=C(c1ccccc1)[C@H](Br)[C@H](Br)C(=O)c1ccccc1 1686642 BTCCTQSIHBZYIV-OKILXGFUSA-N 396.078 4.279 50 50 GIGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2565263 XTFBTWMIQRKIDU-BUVRLJJBSA-N 392.842 4.252 50 50 GIGA CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)cc1 5564320 BTMNAPRNDNOGHM-FQEVSTJZSA-N 399.498 4.450 50 50 GIGA CCOc1cc([C@@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)ccc1O 9363613 SFOKEPZCKCZEFL-INIZCTEOSA-N 380.469 4.063 50 50 GIGA CCOC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccco1 1204545 YIWUNRWGSSKURC-LJQANCHMSA-N 380.469 4.472 50 50 GIGA O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1F)c1ccc(Cl)cc1 2542501 RRDPUQFYJNLVMF-ZMOGYAJESA-N 396.805 4.462 50 50 GIGA O=C(CSc1nc2ccccc2[nH]1)NN=C1c2ccccc2-c2ccccc21 844741 WFKJQKXGVQEWEB-UHFFFAOYSA-N 384.464 4.204 50 50 GIGA CC(C)c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1[N+](=O)[O-] 5034809 VGRCVHIHAOZYOG-MHWRWJLKSA-N 398.426 4.422 50 50 GIGA Cc1ccccc1NC(=O)[C@@H]1[C@H]2[C@H](ON1c1ccccc1)[C@@H]1C[C@@H]2C[C@@H]1Cl 245310699 KAQDAEQXVSETDF-FDOFKCFHSA-N 382.891 4.386 50 50 GIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccccc2C#N)o1 706753 DKCPEMAPXWXZDC-HXUWFJFHSA-N 385.423 4.269 50 50 GIGA C[C@@H]1O[C@]1(C)C(=O)[C@@H](Br)[C@@H](Br)c1ccc(Cl)cc1 226862113 HMKVJMOQBUSHGB-IRDCDUOOSA-N 396.506 4.286 50 50 GIGA N#CC1=C(N)S[C@H](c2cccs2)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1Cl 252430863 PCLKYWHKVSTKSF-SOUVJXGZSA-N 377.878 4.312 50 50 GIGA O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 2894334 QYOLMNXMQMNPAH-UHFFFAOYSA-N 377.787 4.411 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc2ccccc2c1 1427346 PYJJPTZIJUWKID-QGZVFWFLSA-N 376.437 4.215 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1c[nH]c2ccccc12 752583 WDWSRUMPOOAPMB-QRQCRPRQSA-N 381.435 4.376 50 50 GIGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1O 4360358 KVHZEXLHHPYMRQ-JYQBEENSSA-N 397.258 4.015 50 50 GIGA O=C(N/N=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 668410 NTTQBGWLVYQFAL-SRZZPIQSSA-N 399.790 4.184 50 50 GIGA O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cc(O)ccc1O 13321358 FNFJAINASQDRFN-FSJBWODESA-N 396.830 4.094 50 50 GIGA Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccc(O)cc3)cc1)C2 726703 FVVKLGPOVISSPX-DHRITJCHSA-N 385.467 4.293 50 50 GIGA CC(C)(C)OC(=O)N1CCC([C@H]2CN(C(=O)CCl)c3ccccc32)CC1 1875368021 JBMIVXOXJAPBJV-MRXNPFEDSA-N 378.900 4.003 50 50 GIGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1n[nH]c2c1CCc1ccccc1-2 5297633 XMCLZECGHNGDKN-LSHDLFTRSA-N 385.254 4.246 50 50 GIGA CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N/N=C/c3c(F)cccc3Cl)c2C1 5353130 HNYAHZVOEQYICZ-WMJRALALSA-N 376.863 4.117 50 50 GIGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 4282837 BXOLZNZKIRFKQV-DNTJNYDQSA-N 384.650 4.044 50 50 GIGA N#C/C(=C/c1ccc(I)o1)C(=O)Nc1ccccc1Cl 5074084 SCIFSYDOCSJKLU-CLFYSBASSA-N 398.587 4.083 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(N)cc1 5297351 HGZOFMLSJXULDY-VULFUBBASA-N 395.466 4.065 50 50 GIGA N#CC1=C(N)S[C@H](c2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1Cl 14943531 ANSUFBDAESBCFC-BRWVUGGUSA-N 389.839 4.390 50 50 GIGA C/C(=C/CCC(=O)O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1501069123 DMGZCDNYSGWEQW-UNOMPAQXSA-N 382.576 4.374 50 50 GIGA Cc1nn(C)c(C)c1/C=N/NC(=O)[C@H](Sc1ccccc1)c1ccccc1 6413235 VSDGNTJLDDXMLV-YRXLECQKSA-N 378.501 4.021 50 50 GIGA CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c(OC)c1 1188755 IAHXCXFQBFKIGD-GHRIWEEISA-N 379.460 4.096 50 50 GIGA O=C(NNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(F)(F)F 2143214 AKJQVSJNOOEQIB-UHFFFAOYSA-N 392.164 4.479 50 50 GIGA COc1cc(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1O 13546836 YDARHNRMUXOQKJ-SDQBBNPISA-N 375.178 4.136 50 50 GIGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 5722668 SEYQTTUDEUPGCF-LGVXEURYSA-N 389.411 4.179 50 50 GIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1[N+](=O)[O-] 1193638 VMCWWXGRHFUEDP-INIZCTEOSA-N 379.397 4.036 50 50 GIGA N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccccc1)OCO3 1143737 OBAXHLKNQPCPQB-HSZRJFAPSA-N 398.418 4.212 50 50 GIGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 1239380 JUKNRPVNUJWOOH-SSDVNMTOSA-N 377.835 4.284 50 50 GIGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H](C)Oc1ccc(Br)cc1 4372646 HIVGXIWISSGEAZ-MTBADWAMSA-N 387.277 4.422 50 50 GIGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)C2CCCCC2)cc1 5381282 ZKVWQKZBGDBRQM-IWIPYMOSSA-N 379.460 4.065 50 50 GIGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(OC)c1OC 803254 QASRNVZBHIVOPA-HXUWFJFHSA-N 388.423 4.084 50 50 GIGA Cc1ccc(CSCC(=O)NNC(=O)Nc2ccc(C)c(Cl)c2)cc1 17077305 VVGSJABJUODQIN-UHFFFAOYSA-N 377.897 4.043 50 50 GIGA O=C(C[C@@H](c1cccc(Cl)c1)n1cccc1)N/N=C/c1ccc2c(c1)OCO2 1399581 INFWSGRITVBSIS-XNQWGTPPSA-N 395.846 4.000 50 50 GIGA CC(C)(C)OC(=O)N1[C@@]2(C)C[C@@H](Br)[C@@H](Br)C[C@@]12C 101042678 KVQHWEOFWCKLPY-SPZFGGSLSA-N 383.124 4.075 50 50 GIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C 226691760 UTXVFOHELIKLAX-SFVBOFDGSA-N 391.309 4.290 50 50 GIGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(Cl)s2)n[nH]1 5446471 CFWRYKYZEZBJAT-FBCYGCLPSA-N 383.235 4.348 50 50 GIGA O[C@@H](CCl)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1 1423366 VDNXGTYGSQQPTD-INIZCTEOSA-N 377.875 4.192 50 50 GIGA CCCCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC 2085375 HJCMYRTVZUJVRN-FQEVSTJZSA-N 396.487 4.325 50 50 GIGA CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 19816533 RUVBIJRHTOHCPP-IGEMGIOYSA-N 391.421 4.056 50 50 GIGA CCOc1ccccc1NC(=O)NNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 17081713 WLHIPVNEVYUZBK-OAHLLOKOSA-N 399.491 4.003 50 50 GIGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)s1 5317538 ABZYJISBJZKXLP-FSJBWODESA-N 386.480 4.462 50 50 GIGA Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 39371168 QLRBEASDNQIIFH-IBGZPJMESA-N 376.847 4.111 50 50 GIGA CCCOc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc1OC 2102233 XXBLPKWDHLQQNV-OEAKJJBVSA-N 393.443 4.211 50 50 GIGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)[C@@H]2CCCC(C)(C)CC2)cc1 1875384717 VFZMWSHBNMPDJX-MAUKXSAKSA-N 378.944 4.325 50 50 GIGA O=C(NNC(=O)c1sccc1-n1cccc1)Nc1cccc(C(F)(F)F)c1 1394329 JFGVHWLBMPVDFD-UHFFFAOYSA-N 394.378 4.024 50 50 GIGA COC(=O)/C=C/c1ccc(N2CC[C@H](CO[Si](C)(C)C(C)(C)C)C2)nc1F 169794010 GGMHRSYCQVVHIK-HQPKTYMTSA-N 394.563 4.255 50 50 GIGA in-vitro Cc1ccc(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 2381348 KABDWIJRXFLBCC-MFKUBSTISA-N 381.435 4.390 50 50 GIGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1 1875384879 YBZYYWNLPVXXBR-INIZCTEOSA-N 394.902 4.115 50 50 GIGA COc1cc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(C)=O 668230 AKCPLWVWYKMKAD-BUVRLJJBSA-N 388.423 4.051 50 50 GIGA C/C(=N\NC(=O)COc1cccc(C)c1C)c1ccc(Br)s1 1234653 XVOHKSLHAXITCQ-LDADJPATSA-N 381.295 4.047 50 50 GIGA C=CCc1ccccc1OCC(=O)N/N=C/c1cc2ccccc2nc1Cl 4210028 GWDWMFHKSKZQCN-YDZHTSKRSA-N 379.847 4.146 50 50 GIGA Cc1ccc(C(=O)C[C@H](C(=O)O)P(=O)(c2ccccc2)c2ccccc2)cc1 17337659 DCKXPWCUCJLFEJ-JOCHJYFZSA-N 392.391 4.035 50 50 GIGA COc1ccc([C@@H]2OC[C@H]3OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O2)cc1 169744767 ZTRSSQRWGPRALW-AKHDSKFASA-N 378.541 4.412 50 50 GIGA N#C/C(=C/c1ccc(COc2ccccc2Cl)o1)C(=O)NCc1cccnc1 17080477 VMYSOCCOSQVWJA-YBEGLDIGSA-N 393.830 4.130 50 50 GIGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)[nH]n2)cc1 5317624 DLGGUGQCUACARS-CIAFOILYSA-N 397.276 4.166 50 50 GIGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c(C)c1 5793460 RHSIBOREFXKXOS-AUEPDCJTSA-N 399.903 4.052 50 50 GIGA CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 1195269 YSMKIMJAKLVKCI-JXMROGBWSA-N 391.177 4.087 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12 1428026 KUAXAUSYQGQSDW-KRWDZBQOSA-N 376.437 4.215 50 50 GIGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 1188469 MSKUFWWKXYXMBU-WOJGMQOQSA-N 385.423 4.369 50 50 GIGA aggregator N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 2861353 HVZYDQXELXFYHB-LCYFTJDESA-N 376.153 4.264 50 50 GIGA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N=C=S)cc21 3860454 MHMNJMPURVTYEJ-UHFFFAOYSA-N 389.388 4.400 50 50 GIGA in-vitro COc1ccc(C(=O)Nc2cccc(/C(C)=N\NC(=O)c3cccs3)c2)cc1 685903 YQRHDBFOVFHTHJ-UCQKPKSFSA-N 393.468 4.163 50 50 GIGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc3ccccc3c2)C2=C1CC(C)(C)CC2=O 1080319 QWQHVLLBNKYBNC-OAQYLSRUSA-N 386.499 4.053 50 50 GIGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 9108593 VLEVDSBCMNYQPA-OEAKJJBVSA-N 395.894 4.340 50 50 GIGA COc1cc(Br)c(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 4494732 VSPUDNQWWZFRCP-KPKJPENVSA-N 384.233 4.407 50 50 GIGA N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)S(=O)(=O)c1ccccc1 732027 NZBQCFWHDVKIOX-FOWTUZBSSA-N 380.381 4.193 50 50 GIGA CC(C)c1cc(C(=O)NNC(=S)NC2CCCCC2)c(O)c(C(C)C)c1 1120396 JHIGCMAASKUDDY-UHFFFAOYSA-N 377.554 4.081 50 50 GIGA C/C(=N/NC(=O)[C@@H](C)Sc1nc2ccccc2s1)c1ccccc1C(=O)O 17081722 VGKSUQIILBLKRY-UORWWSPDSA-N 399.497 4.016 50 50 GIGA COC(=O)/C=C/c1ccc(N2CC[C@@H](CO[Si](C)(C)C(C)(C)C)C2)nc1F 169794009 GGMHRSYCQVVHIK-TUPIDYKKSA-N 394.563 4.255 50 50 GIGA in-vitro O=C(NNc1c(Cl)cccc1Cl)C(O)(c1ccccc1)c1ccccc1 838096 ZLFDQXWYPZYBOW-UHFFFAOYSA-N 387.266 4.373 50 50 GIGA COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccccc1 2704670 LUPYVZSOBQWMJY-HYARGMPZSA-N 380.469 4.029 50 50 GIGA COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CC[C@@H](c1ccccc1)C2 74941469 PRPCBZJISDZTNW-DGCLKSJQSA-N 377.893 4.373 50 50 GIGA COc1ccc(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 4296215 ULTUAQVKIOEXBV-MFKUBSTISA-N 397.434 4.090 50 50 GIGA Cc1cc([N+](=O)[O-])c2[nH]c(C(=O)N/N=C/c3ccncc3)c(-c3ccccc3)c2c1 1199081 RITAGJKCTSZWTB-ZMOGYAJESA-N 399.410 4.210 50 50 GIGA CCn1cc(/C=N/NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C)n1 6490223 TUSCAOCFZRGVGP-YRXLECQKSA-N 378.501 4.195 50 50 GIGA C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@@H](Br)C21OCCO1 1848443934 WYIBGUUFQXYIQI-NNIGNNQHSA-N 393.321 4.365 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1ccsc1 1110891 FOAFUENFLZJYIV-CYBMUJFWSA-N 399.273 4.119 50 50 GIGA O=C(NNC(=O)C1(c2ccccc2)CCCC1)C1(c2ccccc2)CCCC1 1123383 HRVYHSJHSNEBBQ-UHFFFAOYSA-N 376.500 4.158 50 50 GIGA O=C(CCCC[C@H]1CCSS1)Nc1ccc2ncn(C3CC3)c(=O)c2c1 334160374 CHYSNBUGZFYJTC-HNNXBMFYSA-N 389.546 4.384 50 50 GIGA biogenic N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)c(F)c1 222146212 YHTPSQHKEUYTHU-GXDHUFHOSA-N 379.322 4.454 50 50 GIGA c1ccc([P+](CCC2OCCCO2)(c2ccccc2)c2ccccc2)cc1 95731606 MQHXAEFTZWVNDN-UHFFFAOYSA-N 377.444 4.134 50 50 GIGA in-vitro CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 706138 NNHTUGCQKNIDJG-IBGZPJMESA-N 380.831 4.165 50 50 GIGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)cc1 9012418 XYQVOKKAHNSAPC-BUVRLJJBSA-N 390.487 4.438 50 50 GIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc4ccccc34)[nH]n2)cc1 9045856 MJAYEBZMAYNIAY-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1O 1197035 JKQMTDXYNKYXRW-MFKUBSTISA-N 397.434 4.380 50 50 GIGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3OCC)n[nH]2)cc1 5319085 HTUGYCWZIGUSJY-HZHRSRAPSA-N 392.459 4.028 50 50 GIGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cccc2ccccc12 1231119 BCAJIFOLRXOPRM-UFFVCSGVSA-N 397.228 4.095 50 50 GIGA CCCNC(=O)/C(C#N)=C/c1ccc(OC)c(COc2c(C)cccc2C)c1 17077406 ZGPQKYWROHPYAU-XDHOZWIPSA-N 378.472 4.324 50 50 GIGA COc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1O 16671842 JAAMDAMDNJBJFB-VGOFMYFVSA-N 379.397 4.497 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1c[nH]c2ccccc12 752584 WDWSRUMPOOAPMB-NYHFZMIOSA-N 381.435 4.376 50 50 GIGA CCCC1=C(C(=O)OCC)[C@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O1 1228264 SRTLDRHHUPQLMG-OAHLLOKOSA-N 380.366 4.130 50 50 GIGA C[C@@H]1C(=O)[C@@]2(COCc3ccccc3)O[C@H]1C[C@H]2O[Si](C)(C)C(C)(C)C 257355291 ABMGKKRYPUOUMK-JWVYWZTKSA-N 376.569 4.340 50 50 GIGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl 4210131 XXEFGHLJJSWSHU-VTGBELTLSA-N 388.254 4.459 50 50 GIGA O=C(COc1ccc2cc(Br)ccc2c1)NNc1ccc(F)cc1 888093074 JRXOKPTVDZAAIC-UHFFFAOYSA-N 389.224 4.264 50 50 GIGA CCSC1=C(C#N)[C@H](c2ccncc2)C(C(=O)Nc2ccccc2)=C(C)N1 1234801 ORCQSUIMPSSCMF-IBGZPJMESA-N 376.485 4.169 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cc(Cl)cc(Cl)c1O 4812846 UBGOZBZWEHYLKT-AWEZNQCLSA-N 399.237 4.307 50 50 GIGA CC(C)(C)OC(=O)N1[C@]2(C)C[C@H](Br)[C@H](Br)C[C@@]12C 101042675 KVQHWEOFWCKLPY-ISVHLRKISA-N 383.124 4.075 50 50 GIGA O=C(CCl)N(CCc1ccc(Cl)cc1)Cc1cccc2c1COCC2 1875383591 AIZHNQQDIUWBIW-UHFFFAOYSA-N 378.299 4.223 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1c[nH]c2ccccc12 752581 WDWSRUMPOOAPMB-IVZQSRNASA-N 381.435 4.376 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1 1427418 WBQDNTZKWHRCKC-ZDUSSCGKSA-N 394.374 4.080 50 50 GIGA CS/C(N)=C(\C#N)[C@@H](c1ccccc1Cl)[C@@H](C#N)C(=O)Nc1ccccc1 4756158 KGLHVSSVPALUSS-FXHXNBGFSA-N 396.903 4.259 50 50 GIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccco2)nc2ccccc12 2777432 UFXKYSGTVCXFOJ-LPYMAVHISA-N 386.367 4.167 50 50 GIGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1 629554 CJIDRGSQLAHFQS-QGZVFWFLSA-N 380.831 4.122 50 50 GIGA N#CC1=C(N)N(c2c(F)cccc2F)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 720255 BRXZIACRRVRZOQ-KRWDZBQOSA-N 383.423 4.331 50 50 GIGA Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccc(O)cc3)c1)C2 1202745 DIEFALASRYXEKT-DHRITJCHSA-N 385.467 4.293 50 50 GIGA O=C(N/N=C/c1ccc(N2CCCCCC2)o1)c1cccc(Br)c1 3132079 ZOIIQAUVWZDGMC-DEDYPNTBSA-N 390.281 4.186 50 50 GIGA CCOc1ccc([C@H]2CC(=O)NC(SCc3ccccc3)=C2C#N)cc1OC 9012182 PARPPPINWQHJIJ-QGZVFWFLSA-N 394.496 4.366 50 50 GIGA Cn1ccnc1C(=O)c1cccc(NC(=O)CCCC[C@H]2CCSS2)c1 218119796 CPZMTTHIIQLQST-INIZCTEOSA-N 389.546 4.304 50 50 GIGA biogenic CCn1c(SCC(=O)N/N=C/c2c(F)cccc2Cl)nc2ccccc21 945983 NSXKMCBSIBDPTC-UFFVCSGVSA-N 390.871 4.091 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1cccnc1 15934366 GVFYDGHJHMRSPU-CVKSISIWSA-N 382.423 4.156 50 50 GIGA CCOC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccco1 1204542 YIWUNRWGSSKURC-IBGZPJMESA-N 380.469 4.472 50 50 GIGA O=C(COc1cccc2ccccc12)N/N=C/c1cccc(Br)c1 1216578 BHEJFRIGAGWYDL-CIAFOILYSA-N 383.245 4.131 50 50 GIGA Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)c1 4282973 JZEZXZGYSWSDQP-ZVHZXABRSA-N 376.387 4.117 50 50 GIGA COc1ccccc1/C=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2 1240141 BKXZZDSIBKMCGU-LFVJCYFKSA-N 375.472 4.069 50 50 GIGA Cc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(C)nc3c(C)cccc23)cc1 13321525 QWZKWRLDDQOJLJ-MXAYSNPKSA-N 383.455 4.314 50 50 GIGA C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 662955 KQCQMNYKNCEIKG-PMFZIYJTSA-N 399.450 4.055 50 50 GIGA CC/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(O)cc1 71782584 YTLPGYOAEGVRGV-HIXSDJFHSA-N 384.439 4.480 50 50 GIGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5126175 HIJMQTIBJFZKJC-BUVRLJJBSA-N 382.423 4.213 50 50 GIGA C/C(=N\NC(=O)c1ccccc1F)c1cccc(NC(=O)c2ccccc2F)c1 20159260 BGRQHKGVTTZEJZ-VULFUBBASA-N 393.393 4.371 50 50 GIGA COc1ccc2[nH]cc(/C=N\NC(=O)CCCc3cn(C)c4ccccc34)c2c1 6276440 UOCNDAIUYDTDKJ-QFEZKATASA-N 388.471 4.141 50 50 GIGA O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 43361943 FZSBDDXXXSWEEW-UHFFFAOYSA-N 398.334 4.119 50 50 GIGA O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)s1 5896247 RCTZPLPWGASQKK-NVMNQCDNSA-N 375.793 4.334 50 50 GIGA C[C@@H]1C/C(=N\NC(=O)c2ccccc2I)CC(C)(C)C1 17078411 UFKXOFPDTIGDEB-UCXYNXEWSA-N 384.261 4.223 50 50 GIGA COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(C)nc3c(C)cccc23)cc1 13321521 KTLIPGDQYLODMV-MXAYSNPKSA-N 399.454 4.014 50 50 GIGA CCn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nc2ccccc21 1475143 CLCYCJPZKBYXGM-OEAKJJBVSA-N 388.496 4.452 50 50 GIGA ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]4O[C@@H]4[C@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl 101146513 ZXFXBSWRVIQKOD-BGAPZTRRSA-N 389.320 4.453 50 50 GIGA O=C(CCl)N(Cc1snc2ccccc12)C[C@@H]1CCOC2(CCC2)C1 1875384584 UMGRANNEOGLHNR-CQSZACIVSA-N 378.925 4.213 50 50 GIGA C[C@H](NC(=O)C[C@H](NC(=O)CCl)c1ccccc1)c1ccc(Cl)s1 1875384757 WNVGBQHYYJKEGY-AAEUAGOBSA-N 385.316 4.065 50 50 GIGA COc1cc(/C=N/NC(=O)c2sc3cc(F)ccc3c2Cl)ccc1O 659852 MSDRZFYSCXNEHY-DNTJNYDQSA-N 378.812 4.172 50 50 GIGA COc1cccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1OC 1215194 OZDZMVOCQZILBN-BUVRLJJBSA-N 390.439 4.047 50 50 GIGA Cc1cc2ccccc2nc1NNC(=O)Cc1coc(-c2ccc(F)cc2)n1 181269228 DHJAICXOQMFUGO-UHFFFAOYSA-N 376.391 4.023 50 50 GIGA O=C(NCc1ccc(-c2ccncc2)cc1)NNC(=O)c1cccc2ccccc12 1875261024 KDRYPJHZOIPZQM-UHFFFAOYSA-N 396.450 4.046 50 50 GIGA Cc1cccc(CCN(Cc2cnc(-c3ccccc3)nc2)C(=O)CCl)c1 1875384410 OKQNJKSFVUJWTB-UHFFFAOYSA-N 379.891 4.262 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 711284 SOQSCSUCGCDSLS-HNNXBMFYSA-N 385.206 4.318 50 50 GIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccs2)cc1 846830 XPGDDWDLETUAPA-UHFFFAOYSA-N 388.533 4.302 50 50 GIGA CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)=C(C#N)[C@@H](S)N1 25576402 FAJGISCEJKMFMV-GOSISDBHSA-N 387.917 4.450 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccccc1O 5297075 CQKIFBTUYFGWPO-AFUMVMLFSA-N 396.450 4.188 50 50 GIGA COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CC[C@H](c1ccccc1)C2 74941473 PRPCBZJISDZTNW-YPMHNXCESA-N 377.893 4.373 50 50 GIGA N#Cc1ccc(NNC(=O)c2cc(F)c(F)cc2Cl)c(C(F)(F)F)c1 799750965 IYPBSLGDWKEBTC-UHFFFAOYSA-N 375.684 4.266 50 50 GIGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc3ccccc23)[nH]n1 5314430 ADDCWWOKOQUKDT-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA N#C/C(=C\c1cccs1)C(=O)N/C=N/OCc1ccc(Cl)cc1Cl 3041027 HLGHSGDTTLDPFD-WUXMJOGZSA-N 380.256 4.238 50 50 GIGA COC(=O)N/C(=C/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101126765 YXIKHDQNAVZKKO-FXBPSFAMSA-O 396.834 4.374 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(O)cc1 71782585 JPXDSBOTZJBYAS-UFFVCSGVSA-N 389.242 4.243 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(Cl)cc1 4230121 DDKGFXFGIDKHGU-ZMOGYAJESA-N 396.805 4.462 50 50 GIGA N#C/C(=C\N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)c1ccccc1 2380890 KUPHPHFMSOBVRJ-BMRADRMJSA-N 385.389 4.118 50 50 GIGA Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 2506252 NYAFQYJEYIAXKT-MFKUBSTISA-N 388.467 4.412 50 50 GIGA C[C@H]1C(=O)[C@@]2(COCc3ccccc3)O[C@H]1C[C@H]2O[Si](C)(C)C(C)(C)C 257355290 ABMGKKRYPUOUMK-HVSHLEFESA-N 376.569 4.340 50 50 GIGA O=C(c1ccccc1)[C@@H](Br)[C@H](Br)C(=O)c1ccccc1 1686643 BTCCTQSIHBZYIV-KBPBESRZSA-N 396.078 4.279 50 50 GIGA COC(=O)/C(C#N)=C/c1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12 1875389088 BAGDYKOALIDMDQ-XYOKQWHBSA-N 389.308 4.239 50 50 GIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc2ccccc32)cc1[N+](=O)[O-] 1193637 VMCWWXGRHFUEDP-MRXNPFEDSA-N 379.397 4.036 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccnc1 2291617 WWRKZYPERCBSOF-CVKSISIWSA-N 395.418 4.218 50 50 GIGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1cc(Cl)ccc1C 6789604 DNTXWZGSEFBPQU-UHFFFAOYSA-N 393.965 4.208 50 50 GIGA Cc1cc2cc3cc(C)c(NC(=O)CCl)cc3nc2cc1NC(=O)CCl 5362545 PMZIVIXOUMYNNV-UHFFFAOYSA-N 390.270 4.359 50 50 GIGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1056587 INMHXFUBNIPSFA-LJQANCHMSA-N 376.847 4.040 50 50 GIGA C#CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc2c(c1)OCO2 2861393 UXKPQNWJYRNGPR-NVNXTCNLSA-N 382.213 4.254 50 50 GIGA Cc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)[C@H](F)Cl)cc1 22016189 QPHIAKLLBDEQHX-AWEZNQCLSA-N 379.787 4.302 50 50 GIGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1 1209547 GSYUITSQGQZUOY-MFKUBSTISA-N 384.414 4.442 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cccc2ccccc12 1428027 KUAXAUSYQGQSDW-QGZVFWFLSA-N 376.437 4.215 50 50 GIGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1 5297610 BURBLTAUFOXPIF-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OC)C(C#N)=C(N)O2 1303938 WIAALCXLVWUTHH-FQEVSTJZSA-N 386.455 4.052 50 50 GIGA COc1cc(Br)c(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1O 5044490 RZHWEAMYFQVAGU-SDQBBNPISA-N 384.233 4.412 50 50 GIGA COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1O 15220534 XYHWPYXFTBIGPI-QPEQYQDCSA-N 387.233 4.017 50 50 GIGA COc1nc2ccc(CN(Cc3ccc(F)cc3)C(=O)CCl)cc2s1 1875384558 SNULZFSKHBDAGG-UHFFFAOYSA-N 378.856 4.212 50 50 GIGA COc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(O)c3)n2)cc1OC 5008863 KABOXYNTMYUENB-VGOFMYFVSA-N 380.425 4.303 50 50 GIGA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1 705926 ZGJZCMUIDDOXPT-IBGZPJMESA-N 380.831 4.165 50 50 GIGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 713897 MJNIKHOOPMNUAS-HXUWFJFHSA-N 377.394 4.270 50 50 GIGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C(\C)c3ccc(C)cc3)c2C)cc1 5296538 GMXFFYNCIJNESQ-XQNSMLJCSA-N 376.460 4.246 50 50 GIGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5297037 NDYQHPKPHAZZAW-AFUMVMLFSA-N 396.450 4.101 50 50 GIGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1ccccc1Cl 8971528 QBCWTTUUVVFECH-HNNXBMFYSA-N 397.887 4.051 50 50 GIGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 409134434 SRBSUEQNTFIFKW-JOCHJYFZSA-N 388.398 4.328 50 50 GIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(Br)c1 714278 DLGYJFXGGDTDQP-HNNXBMFYSA-N 391.240 4.039 50 50 GIGA N#C/C(=C/c1ccc(I)o1)C(=O)Nc1ccc(Cl)cc1 5059085 RDIRIXDXYJYDPZ-CLFYSBASSA-N 398.587 4.083 50 50 GIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(c1ccccc1)c1ccccc1 1229947 RSCSSYSYBBDCDD-KCOUNZPASA-N 385.423 4.051 50 50 GIGA COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(Br)c1O 3945095 QPRDPPXKOSEDLB-KPKJPENVSA-N 384.233 4.114 50 50 GIGA N#C/C(=C\c1cccc(Br)c1)c1nn(-c2ccccc2)c(N)c1C#N 4595441 UPTYHLLNHREVSD-NTEUORMPSA-N 390.244 4.153 50 50 GIGA COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1 15745718 GOFVBHPDRYPBKD-JYRVWZFOSA-N 387.233 4.012 50 50 GIGA CC(=O)c1ccc(NC(=O)NNC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1 17080407 FPJOVKWFFDKROL-PMACEKPBSA-N 393.487 4.143 50 50 GIGA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN=Cc1ccc(Br)cc1 245267414 LPKMEOIMRPQOPK-LBPRGKRZSA-N 395.684 4.329 50 50 GIGA C/C(=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1C)c1ccc(F)cc1 4188550 IISDSTCLJXHXHX-YDZHTSKRSA-N 375.831 4.047 50 50 GIGA CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 17078617 AFJIZAABAANZGP-NTEUORMPSA-N 384.819 4.056 50 50 GIGA Cc1ccc(-c2cc(C(=O)NN=C3CCN(C)CC3)c3ccccc3n2)cc1C 55057234 XCEZQZDTQZPXCK-UHFFFAOYSA-N 386.499 4.330 50 50 GIGA Cc1ccc(CSCC(=O)NNC(=S)Nc2cccc3ccccc23)cc1 6400720 PKZSAOZWVZRQCG-UHFFFAOYSA-N 395.553 4.399 50 50 GIGA N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)NCc1ccco1 15836751 PLLIVFPJHKEXLL-KAMYIIQDSA-N 396.244 4.056 50 50 GIGA Cc1sc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21 4751934 UMRJEVZFQPDDAU-LJQANCHMSA-N 399.475 4.280 50 50 GIGA COc1ccc(-c2ccc(/C=N\NC(=O)CNc3ccc(C)cc3)o2)cc1Cl 16667936 XBDUKRAMZMRMGD-MSXFZWOLSA-N 397.862 4.479 50 50 GIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(O)cc1 2584814 FJENLXIZZQMGGM-YDZHTSKRSA-N 394.814 4.029 50 50 GIGA C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 3672645 DIPBEFPDSOVYHY-QFIPXVFZSA-N 382.419 4.079 50 50 GIGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 867890 OISOZSURVHYBSN-UFFVCSGVSA-N 389.242 4.156 50 50 GIGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc(Br)cc2)n[nH]1 6813843 PXKJGZWIJWLJLG-HJETYCPDSA-N 395.260 4.268 50 50 GIGA CCc1[nH]nc2c1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)C(C#N)=C(N)O2 4450397 JMCKGGOWZXWBMM-FQEVSTJZSA-N 383.455 4.318 50 50 GIGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 5033816 BHZKCSUGMIHCPT-LPYMAVHISA-N 382.851 4.283 50 50 GIGA COc1ccc(/C=C(\C#N)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 17042829 LTMRMWNEAWOCRR-LFIBNONCSA-N 376.441 4.172 50 50 GIGA CCOc1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 6784015 JIWLQSGIFYAKRU-ZVHZXABRSA-N 392.503 4.040 50 50 GIGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3Cl)[nH]n2)c1 1745830 XJUSYRYTBSBLBV-SSDVNMTOSA-N 386.814 4.032 50 50 GIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3F)cc2)c1 2543228 ZHBYZVUANWBNLK-ZVHZXABRSA-N 376.387 4.117 50 50 GIGA C=CCc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1O 9353604 HQKYDRWNNQEFFB-MFKUBSTISA-N 396.450 4.428 50 50 GIGA COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)c([N+](=O)[O-])c1 1187513 ZQSRYLUYJZUAKQ-SDNWHVSQSA-N 389.367 4.409 50 50 GIGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc4c(c3)OCO4)sc2c1 1215293 SMDIQTDXDQNQEP-DNTJNYDQSA-N 388.832 4.056 50 50 GIGA O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2F)c1)c1ccc(Cl)cc1 2529729 NMVJHTRLPAAJSM-ZMOGYAJESA-N 396.805 4.462 50 50 GIGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(Cl)cc1Cl 1207846 MDSNJYWQQRPTPJ-UFWORHAWSA-N 379.272 4.112 50 50 GIGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1Cl 1427325 UDZBZIFGQSDJIN-HNNXBMFYSA-N 398.249 4.063 50 50 GIGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)Cc2c(Cl)cccc2Cl)cc1 5829325 YXPIUKWYECPSAY-SSDVNMTOSA-N 378.259 4.035 50 50 GIGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1O 4360357 KVHZEXLHHPYMRQ-OHBSIKEHSA-N 397.258 4.015 50 50 GIGA N#Cc1ccc(NNC(=O)c2ccc(F)c(Cl)c2F)c(C(F)(F)F)c1 799748342 QUDKDQMGISFEDM-UHFFFAOYSA-N 375.684 4.266 50 50 GIGA CCOc1ccc(OC)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 4210420 BBCCAWSTBKPJHS-BUVRLJJBSA-N 391.471 4.265 50 50 GIGA O=C(Cn1cnc2ccccc21)N/N=C/c1c2ccccc2cc2ccccc12 3202479 MUTBXJZISBTZSS-VULFUBBASA-N 378.435 4.493 50 50 GIGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 9436553 ITKLIYBCWJFTEQ-QGZVFWFLSA-N 392.846 4.347 50 50 GIGA Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21 15745726 GXSHIERNBIPCKB-LCYFTJDESA-N 380.245 4.486 50 50 GIGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2 629581 KQBCKIMRFIEKHV-SFHVURJKSA-N 380.810 4.191 50 50 GIGA Cc1ccc(SCc2[nH]nc3c2[C@@H](Cc2ccccc2)C(C#N)=C(N)O3)cc1 804028 NQUMFDFMOFLLRM-KRWDZBQOSA-N 388.496 4.423 50 50 GIGA CCOc1ccc(-c2cc(C(=O)N/N=C/C(Cl)=C/c3ccccc3)[nH]n2)cc1 5359054 HUGYBZMNVRNDTF-RRJFKAAMSA-N 394.862 4.471 50 50 GIGA Cn1c(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)nc2ccccc21 1192944 XTNQGJFFVNWZNA-AWQFTUOYSA-N 393.299 4.123 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(-c2ccccc2)cc1 728144 FTLVVDXJLKIUIU-NRFANRHFSA-N 391.430 4.413 50 50 GIGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(SC)cc1 1429627 UDKMOEQSFIMIKM-OAHLLOKOSA-N 386.498 4.173 50 50 GIGA Cc1nn(-c2ccccc2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 629562 HYSYIEBXNYPOJN-QGZVFWFLSA-N 380.810 4.191 50 50 GIGA C[C@@H](NC(=O)C[C@H](NC(=O)CCl)c1ccccc1)c1ccc(Cl)s1 1875384760 WNVGBQHYYJKEGY-YPMHNXCESA-N 385.316 4.065 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cccs1 2571720 IFEVBFKHHCDEQU-CIAFOILYSA-N 384.844 4.385 50 50 GIGA O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2578299 QFLDFNWVOLYEDR-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc3ccccc23)C2=C1CC(C)(C)CC2=O 1080317 YISZPMBNXSAMRS-OAQYLSRUSA-N 386.499 4.053 50 50 GIGA COc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(=O)c1ccc(C)cc1 2506419 VNDHMWMLRKUPMH-LPYMAVHISA-N 394.452 4.048 50 50 GIGA N#C/C(=C/c1ccccc1[N+](=O)[O-])c1ccc(I)cc1 2860607 CHWFZJLOIPWFIX-LCYFTJDESA-N 376.153 4.264 50 50 GIGA CCCCOc1ccc(C(=O)N/N=C/c2ccccc2Br)cc1 2898727 XNSMYEWXHPUNFK-DEDYPNTBSA-N 375.266 4.392 50 50 GIGA COCc1n[nH]c(-c2cccc(NC(=O)CCCC[C@@H]3CCSS3)c2)n1 253412028 PRLAVEPBRHRNSC-OAHLLOKOSA-N 392.550 4.271 50 50 GIGA biogenic N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1ccsc1 1110892 FOAFUENFLZJYIV-ZDUSSCGKSA-N 399.273 4.119 50 50 GIGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 245227839 RGQYIHWAELFPRT-MHXJAFHZSA-N 385.395 4.270 50 50 GIGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1 1875383621 AUJYDWDFSHDZQK-HNNXBMFYSA-N 380.875 4.186 50 50 GIGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CCCC3=O)cc1 1436324 NDFIYAGDHYAKGA-IBGZPJMESA-N 377.469 4.061 50 50 GIGA Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)s1 8837450 AHMCSRSVHJQOTP-SRZZPIQSSA-N 376.441 4.069 50 50 GIGA Cc1ccc(C2CC2)c(C(=O)NCc2ccc([C@H](C)NC(=O)CCl)cc2)c1 1875384412 OLBMFSNYQQICRU-HNNXBMFYSA-N 384.907 4.218 50 50 GIGA O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1OCc1ccc(Cl)cc1 5717014 UPAOUSIHIUNHGF-FSJBWODESA-N 396.830 4.094 50 50 GIGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 727864 KHYAGTIPPLPTAA-HNNXBMFYSA-N 381.259 4.418 50 50 GIGA O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1CCCl 783151 YWFMUROGHSJKTP-FQEVSTJZSA-N 383.904 4.352 50 50 GIGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5126179 UEKDHSPFBDUOPU-BUVRLJJBSA-N 382.423 4.213 50 50 GIGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1 1875384881 YBZYYWNLPVXXBR-MRXNPFEDSA-N 394.902 4.115 50 50 GIGA Cc1nc(/C(C#N)=C/c2cn(C)nc2-c2ccc3c(c2)OCCCO3)sc1C 170638455 QNXZGUZOXICPIR-CXUHLZMHSA-N 392.484 4.386 50 50 GIGA COc1cccc(OC)c1/C=C(\C#N)S(=O)(=O)c1cc(Cl)ccc1Cl 179026639 VPUGONQYNRBNCJ-FMIVXFBMSA-N 398.267 4.349 50 50 GIGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl 2544209 QBLTVOOZEXHXJL-RKPRQOIHSA-N 376.243 4.137 50 50 GIGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 4366148 FWGAXQNYVGBOOZ-DUYBAWCLSA-N 388.467 4.492 50 50 GIGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC)cc1)C(C#N)=C(N)O2 1298983 MUPARMRIXAFNLQ-HXUWFJFHSA-N 386.455 4.052 50 50 GIGA Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 970829 NTMAOOVSZMHYGP-LJQANCHMSA-N 376.847 4.111 50 50 GIGA N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1ccc(F)cc1 1188966 LLFWPGWMSUGHLU-ACCUITESSA-N 376.343 4.330 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc4ccccc4c3)[nH]n2)cc1 945664 BRQKGQBJYCRHEH-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 1592593 FMTOEJTZGHGOKG-UHFFFAOYSA-N 378.042 4.375 50 50 GIGA O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(F)cc1 3170661 XGAJDZMVBOIMEV-AFUMVMLFSA-N 385.398 4.221 50 50 GIGA C/C(=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 4135881 LATLRTUTBOBCEN-UCQKPKSFSA-N 399.410 4.292 50 50 GIGA N#C/C(=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)c1nc2ccccc2[nH]1 13479796 MMNLJJZIZSUZEM-GDNBJRDFSA-N 399.362 4.283 50 50 GIGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@@H](O)c1ccccc1 731363 SETZRAFCOCKXES-GQBLCDNYSA-N 394.858 4.103 50 50 GIGA COc1cccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)c1OC 4751365 JFROSZIKKOWQSJ-LJQANCHMSA-N 376.412 4.019 50 50 GIGA O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc(N=C=S)c21 34742765 NUKUMXUIWPGENW-UHFFFAOYSA-N 389.388 4.400 50 50 GIGA in-vitro CCN(CC)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799753363 ZCTFXALRKXFABR-UHFFFAOYSA-N 376.382 4.180 50 50 GIGA CCCCc1ccc(NC(=O)NNC(=S)Nc2ccc(F)cc2F)cc1 17077368 OYIRUODJGBBMDC-UHFFFAOYSA-N 378.448 4.331 50 50 GIGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1cc(-c2ccccc2)n[nH]1 1907596 ZHBLKBPTRQSTHR-ZCZOCWKKSA-N 395.260 4.228 50 50 GIGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(F)cc2)[nH]n1 5297231 TWLKIDRYLUNJQH-ZMOGYAJESA-N 388.402 4.142 50 50 GIGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 5402852 LLLNYWJWHAWQRL-CIAFOILYSA-N 397.276 4.166 50 50 GIGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(N2CCCC2=O)c1 822289 JNXSFMMEOIHDEK-KOEQRZSOSA-N 399.450 4.370 50 50 GIGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)[nH]n1 5319122 HUDNTFBFRYOBAO-LPYMAVHISA-N 382.851 4.283 50 50 GIGA COc1cc(OC)c(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1Br 16362190 IONGYOJHKGXLTP-ACAGNQJTSA-N 388.217 4.259 50 50 GIGA O=C(CCl)N(Cc1cnn(-c2ccccc2)c1)CC1(c2ccccc2)CC1 1875384007 JDYWONPZNVJIAC-UHFFFAOYSA-N 379.891 4.172 50 50 GIGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)cc2)nc2ccccc21 946000 DTAQBIHTHMOYII-LPYMAVHISA-N 386.908 4.342 50 50 GIGA CC(C)c1ccc(NC(=S)NNC(=O)c2ccccc2Br)cc1 2355264 KKTJSAZPGJBQEI-UHFFFAOYSA-N 392.322 4.204 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc2ccccc2c1 12362457 HNOYZILVAFCZFJ-OEAKJJBVSA-N 399.410 4.292 50 50 GIGA C[C@]12CCN(C(=O)c3ccc(-c4ccncc4)c(F)c3)C[C@@H]1[C@H]2Br 1875265680 GTKDXETYOGMWQE-SUMDDJOVSA-N 389.268 4.133 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Cl)c(Cl)c1 711279 AIWKGPDVGPWXCW-OAHLLOKOSA-N 385.206 4.318 50 50 GIGA CCOc1ccc(O)cc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 73371035 HTUVUAZGUFEBQX-UHFFFAOYSA-O 399.450 4.410 50 50 GIGA Cc1cc(O[C@@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1Cl 672994 ZDKUIMCZEYKNSZ-XMTZNVEYSA-N 382.847 4.425 50 50 GIGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(Cl)cc1 1194297 RDUAHIPXPNWNCL-ZMOGYAJESA-N 395.846 4.087 50 50 GIGA O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95671199 IAHVCTQMGIVZJU-UHFFFAOYSA-N 382.503 4.491 50 50 GIGA in-vitro Cc1cccc(NC(=O)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)c1C 17081661 LKSRDCNDVPYDKA-UHFFFAOYSA-N 399.344 4.007 50 50 GIGA CC(C)c1ccc(O[C@H](C)C(=O)NNC(=O)Nc2ccccc2Cl)cc1 17076875 JGMFPEBVIPHCNA-CYBMUJFWSA-N 375.856 4.084 50 50 GIGA COc1ccccc1O[C@@H](C)C(=O)N/N=C(\C)c1ccc(Cl)c(Cl)c1 43763780 YLNSFTJCFCHLKR-OVMKCGGTSA-N 381.259 4.310 50 50 GIGA Cc1cc2nc(/C(C#N)=C\c3ccc(SCCO)c([N+](=O)[O-])c3)[nH]c2cc1C 4810369 XUWPGXBBJBGPEH-DHDCSXOGSA-N 394.456 4.237 50 50 GIGA C[C@H](NC(=S)NNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 2856027 WNQGILYKLFDFFC-JKSUJKDBSA-N 399.560 4.008 50 50 GIGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@@H](O)c1ccccc1 4287297 QFDBVJYKBUPJLU-GQBLCDNYSA-N 394.858 4.103 50 50 GIGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1n[nH]c2c1CCc1ccccc1-2 1202714 SJVOIEDZNMBZHU-LSHDLFTRSA-N 385.254 4.246 50 50 GIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1 2543110 LYKHCUXOEWZRRY-LFVJCYFKSA-N 388.423 4.068 50 50 GIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1OC 102295083 DMOTWSARVOLLCG-JJIBRWJFSA-N 389.540 4.182 50 50 GIGA Cc1ccc2nc(/C(C#N)=C3/C(=O)Nc4ccc(Br)cc43)[nH]c2c1 4018497 MKGZVMSAGRQAQU-FOWTUZBSSA-N 379.217 4.020 50 50 GIGA CCOc1cc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc(OCC)c1OCC 5489105 AEAPLUJLZIBZEF-UHFFFAOYSA-N 393.443 4.338 50 50 GIGA COC(=O)/C(C#N)=C\c1cn(Cc2cccc(Cl)c2)nc1-c1ccccc1 7060688 YMLONDPZEUUTRT-BOPFTXTBSA-N 377.831 4.332 50 50 GIGA Cc1cc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)c2cccc(C)c2n1 13321529 PEALHLVWNIYJPS-ROTLSHHCSA-N 387.418 4.145 50 50 GIGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2ccccc2)c(O)c2ccccc21 299738300 RTEDWNROMLNBFY-LFVJCYFKSA-N 391.471 4.051 50 50 GIGA O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1O 1214468 HFMOVLXXYSJWNL-CIAFOILYSA-N 383.245 4.001 50 50 GIGA CCN(CC)c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1 4117301 MOTJXVKERVMPDT-NBVRZTHBSA-N 382.471 4.237 50 50 GIGA COC(=O)c1c(NC(=O)CCCl)sc2c1CC[C@@H](c1ccccc1)C2 74941595 HBEFZZGMJPPGJL-CYBMUJFWSA-N 377.893 4.375 50 50 GIGA COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Br)cc1 671555 PYWCWOHIVPRXIX-CIAFOILYSA-N 383.245 4.375 50 50 GIGA Cc1nn(Cc2ccccc2)c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 970827 RQDMRECGWKSRHK-LJQANCHMSA-N 376.847 4.111 50 50 GIGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1 9087495 CIWSIWCVSVCDPG-BUVRLJJBSA-N 390.487 4.438 50 50 GIGA Cc1ccc(NC(=O)NNc2ccccc2)cc1NC(=O)NNc1ccccc1 2163762 UCMQYSGSGISQSM-UHFFFAOYSA-N 390.447 4.292 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(C(F)(F)F)c1 755787 JWHAZXHTVGIZOR-OAHLLOKOSA-N 384.313 4.030 50 50 GIGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 4719080 RRRQXWKKNWGRLJ-HZHRSRAPSA-N 386.411 4.243 50 50 GIGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCC)[nH]n2)cc1 4746364 RWXGBJOMYYDMOB-HZHRSRAPSA-N 392.459 4.028 50 50 GIGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1O 1191456 FXANOHBLKRBDJE-SDNWHVSQSA-N 375.340 4.106 50 50 GIGA O=C(N/N=C/c1cccc(F)c1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5126160 HJKZRNXVRJJTLL-DHRITJCHSA-N 384.414 4.232 50 50 GIGA Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2cccc(Cl)c2)cc1 849998 DOFAVDKHCPUMBN-LJQANCHMSA-N 376.847 4.361 50 50 GIGA O=C(CCCC[C@@H]1CCSS1)Nc1ccc2ncn(C3CC3)c(=O)c2c1 253398811 CHYSNBUGZFYJTC-OAHLLOKOSA-N 389.546 4.384 50 50 GIGA biogenic COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2)cc1 1211372 VBLCDWDCTXYAJI-PCLIKHOPSA-N 396.450 4.312 50 50 GIGA COc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1ccc(C)cc1 2509169 KUOWBTYOTBWWCN-BUVRLJJBSA-N 394.471 4.253 50 50 GIGA CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc([N+](=O)[O-])ccc1Cl 100195110 WVULGXIVTWTDSV-MLPAPPSSSA-N 377.791 4.257 50 50 GIGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccccc1OCc1ccccc1Cl 1125989 QVSHYVIVBAFCIG-UHFFFAOYSA-N 394.887 4.137 50 50 GIGA Cn1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nc2ccccc21 1475013 WLQIXGCFIHQJDC-LPYMAVHISA-N 380.517 4.113 50 50 GIGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 5051593 QDNYEBCTJBVXHC-FOWTUZBSSA-N 388.379 4.199 50 50 GIGA CC(C)c1ccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)cc1 6387267 RNEQMDLBXZWUIV-UHFFFAOYSA-N 379.888 4.163 50 50 GIGA C/C(COc1ccccc1)=N/NC(=O)[C@H](C)Sc1nc2ccccc2s1 17078740 PBTNYCPRCLIMCO-DTHVTWRFSA-N 385.514 4.348 50 50 GIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1NC(=O)C1CC1 2141077 YLVLBJQWNBPQEA-UFFVCSGVSA-N 376.243 4.106 50 50 GIGA CC(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1 17080406 FPJOVKWFFDKROL-VQTJNVASSA-N 393.487 4.143 50 50 GIGA COCc1c(C)cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C 2843516 DTNJVPJTIJGVOT-FQEVSTJZSA-N 380.488 4.209 50 50 GIGA CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(Br)cc1O 4678341 PYXIMANKJXGTJQ-GHXNOFRVSA-N 384.233 4.494 50 50 GIGA COCc1n[nH]c(-c2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2)n1 217723754 FBUFPMALIFUSDY-HNNXBMFYSA-N 392.550 4.271 50 50 GIGA biogenic COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(Br)c1 669830 IHBOTIRMHKDLDE-CIAFOILYSA-N 383.245 4.375 50 50 GIGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 2000018 OGCPTZKUWWZJLD-FYJGNVAPSA-N 398.557 4.385 50 50 GIGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccccc1 2568390 FBKQFIHLZCIOFJ-OEAKJJBVSA-N 378.815 4.323 50 50 GIGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(O)cc1O 2584736 APARDKKOBKDUJB-FSJBWODESA-N 396.830 4.094 50 50 GIGA CCCOc1ccc(C(=O)N/N=C/c2cc(OC)ccc2Br)cc1 2902603 OXEBFMBTDRGQOD-UDWIEESQSA-N 391.265 4.010 50 50 GIGA CCc1ccc(/C=N/NC(=O)c2cnn3c(C)cc(-c4ccccc4)nc23)cc1 2761363 ZEQDXHFPWKQNGD-ZVHZXABRSA-N 383.455 4.031 50 50 GIGA CC(/C=C/c1ccccc1)=N\NC(=O)[C@H](C)Oc1ccc(Br)cc1 4372645 HIVGXIWISSGEAZ-HGDFLFJISA-N 387.277 4.422 50 50 GIGA COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O 836033 VHWXQQXDHKLXJL-WUXMJOGZSA-N 375.178 4.136 50 50 GIGA COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)c1 1189829 FGXFOFLJJJHOTF-DEDYPNTBSA-N 399.450 4.426 50 50 GIGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1 4282084 IAZZVEYWFLNNAE-OEAKJJBVSA-N 393.830 4.221 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 705312 CPJUBBVTYOPJLQ-HNNXBMFYSA-N 384.313 4.030 50 50 GIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccco1 5020083 VHARATGHRIWOTN-FQEVSTJZSA-N 378.453 4.181 50 50 GIGA C/C(=N\NC(=O)c1sccc1C)c1ccc(NC(=O)c2ccoc2C)cc1 5756411 IUMKJHGKLMDWPL-LPYMAVHISA-N 381.457 4.364 50 50 GIGA O=C(N/N=C/c1ccc(SCc2ccco2)c([N+](=O)[O-])c1)c1cccs1 2049319 OFURPFPSQIMYTR-VCHYOVAHSA-N 387.442 4.306 50 50 GIGA CCc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cccc(Br)c2)cc1 13369855 KLXOTZJPGVUQSD-WSDLNYQXSA-N 397.276 4.166 50 50 GIGA COc1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1O 941044 CXMBHGPYRUWOBB-BUVRLJJBSA-N 387.439 4.049 50 50 GIGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(Cl)s2)n[nH]1 1894512 BSEXEQBHFBYVPT-UFFVCSGVSA-N 396.859 4.414 50 50 GIGA CC(=O)N/N=C1/CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 253498674 JTSYJYALWDMECW-PPFSWBRCSA-N 388.552 4.453 50 50 GIGA biogenic O=C(Cc1cccc2ccccc12)N/N=C/c1cc(O)ccc1Br 3136569 ZJTSJHONUNQSDU-CIAFOILYSA-N 383.245 4.001 50 50 GIGA CC(C)(C)[Si](C)(C)OCCC[C@@H](N[C@@H]1CCC(=O)NC1)c1ccccc1 1875347210 KTKQDVQJTWNSBV-RTBURBONSA-N 376.617 4.398 50 50 GIGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1cccc(Br)c1 32649971 QWTZTHRUITVIJY-ORPVNXHJSA-N 381.657 4.020 50 50 GIGA COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1OCc1ccccc1 2238517 CEBVYHWXWGKKEB-HYARGMPZSA-N 380.469 4.029 50 50 GIGA N#C/C(=C/c1cccc(I)c1)c1ccc2c(c1)OCO2 16361289 ZNPGYWCMRHLXCA-MLPAPPSSSA-N 375.165 4.084 50 50 GIGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(Cl)c1Cl 1207662 WTOGQOFALURYAC-UFWORHAWSA-N 379.272 4.112 50 50 GIGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1 1875383622 AUJYDWDFSHDZQK-OAHLLOKOSA-N 380.875 4.186 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc4ccccc34)[nH]n2)cc1 5126084 RRDSLQPPQJWIMX-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 1205614 IRHMMFVXALXORP-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA CCc1ccc2c(Cl)c(C(=O)NNC(=S)NC3CCCC3)sc2c1 13324082 XYNGDQYFKVYGMP-UHFFFAOYSA-N 381.954 4.169 50 50 GIGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cc(-c2ccccc2)n[nH]1 5317549 NYDXIULQZDLJJV-PCLIKHOPSA-N 396.450 4.420 50 50 GIGA O=C(COc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 781461 WJYGWUOEPIZCRQ-PCLIKHOPSA-N 396.450 4.068 50 50 GIGA N#C/C(N)=C(C#N)/N=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 3101965 GAZAHTMKPFGIRV-MDWGDNGFSA-N 383.820 4.036 50 50 GIGA CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2cccc(OC)c2)cc1 1994771 DXNACBGCVUZZBN-CSUZIONRSA-N 384.476 4.182 50 50 GIGA O=C(NNC(=S)Nc1ccccc1Cl)C(c1ccccc1)c1ccccc1 2223535 BXGVVUVZSSRCCX-UHFFFAOYSA-N 395.915 4.490 50 50 GIGA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2 969539 JJKJZINEDDBKQC-GOSISDBHSA-N 396.372 4.418 50 50 GIGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)cc1 2565251 SHDMJYAWPYSKAE-PCLIKHOPSA-N 387.483 4.404 50 50 GIGA CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 1209313 XJZGWMRPNMICDA-UKTHLTGXSA-N 387.233 4.099 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)[nH]n2)cc1 1901588 QBRJOVUMSVMDGH-UFFVCSGVSA-N 389.242 4.156 50 50 GIGA CC[C@@H](C)c1ccc(NC(=S)NNC(=O)CSCc2ccccc2)cc1 5949804 DIOOFIWXMJOTTO-OAHLLOKOSA-N 387.574 4.451 50 50 GIGA N#C/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 17080287 IJFSACZAMMNQQY-NTUHNPAUSA-N 392.802 4.004 50 50 GIGA O=C(Cc1cccc2ccccc12)N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 30696349 UEJMMIVEHYCWEM-JLPGSUDCSA-N 398.422 4.232 50 50 GIGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2367134 VPSHYCJQLDUHLT-JZKLSJHFSA-N 375.259 4.130 50 50 GIGA COc1ccc([C@H]2OC[C@H]3OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O2)cc1 169744768 ZTRSSQRWGPRALW-YRXWBPOGSA-N 378.541 4.412 50 50 GIGA CC1CCC(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)CC1 1875384266 NIKXOEGVOITZCR-MKJPBZQASA-N 386.923 4.178 50 50 GIGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2cccs2)[nH]n1 8568059 QNDZHWQLVGMHBE-CIAFOILYSA-N 376.441 4.064 50 50 GIGA CC(C)OC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1 1189616 WOHJGGPMAJCDSO-LBPRGKRZSA-N 399.299 4.017 50 50 GIGA O=C(NN=C1c2ccccc2-c2ccccc21)c1cc(Br)ccc1O 2896313 RXTVSBBLBURCAP-UHFFFAOYSA-N 393.240 4.318 50 50 GIGA C/C(=N\NC(=O)c1ccc(C)s1)c1cccc(NC(=O)c2ccoc2C)c1 4647109 BHSFDRQPBZJNFT-LPYMAVHISA-N 381.457 4.364 50 50 GIGA COC(=O)/C=C(/C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1501069322 ODURTJJWIVSJMF-VXPUYCOJSA-N 396.603 4.463 50 50 GIGA O=C(Nc1c(Br)cc(F)cc1Br)C(Cl)Cl 2165582 RBAQSGNVMBFGNN-UHFFFAOYSA-N 379.838 4.093 50 50 GIGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccc3ccccc23)[nH]n1 5125863 SHLPPPUOPIVMIK-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1 713294 KGJATOGRGSDILG-OAQYLSRUSA-N 384.483 4.331 50 50 GIGA O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1Cl)Nc1ccccc1 6223256 XWKPBFWSCZHAIT-UHFFFAOYSA-N 395.846 4.386 50 50 GIGA ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H](Cl)[C@H]4O[C@H]4[C@@H]3[C@@]1(Cl)C2(Cl)Cl 2040050 ZXFXBSWRVIQKOD-UOFFAGTMSA-N 389.320 4.453 50 50 GIGA in-vitro CCOC(=O)Cn1c(C)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 5041288 LGGDUKPQWCPAPA-SFQUDFHCSA-N 389.411 4.485 50 50 GIGA COC(=O)/C=C(\C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169835872 ODURTJJWIVSJMF-FMQUCBEESA-N 396.603 4.463 50 50 GIGA BrCCN(CCBr)c1ccc(Br)cc1 308466886 YNRKEEATTQPNTH-UHFFFAOYSA-N 385.925 4.045 50 50 GIGA C=CCOc1cccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)c1 2521731 CQVQPGOOPXTQLX-SRZZPIQSSA-N 379.243 4.087 50 50 GIGA CCN(CC)c1ccc(C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)cc1 2852996 KBUZITLIKOQKNA-UHFFFAOYSA-N 394.397 4.018 50 50 GIGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(F)cc2)n[nH]1 4994788 WNSKCDKZQCWWCK-ZVBGSRNCSA-N 377.206 4.287 50 50 GIGA COC(=O)/C(C#N)=C/c1ccc(OC)c(COc2cccc(C(F)(F)F)c2)c1 17079886 MODOVTMRLKWPDG-RIYZIHGNSA-N 391.345 4.373 50 50 GIGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1csc2c1CCCC2 695991 FVYHTGWEEOVCGN-WSDLNYQXSA-N 378.501 4.193 50 50 GIGA CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@H]2c1cccs1 667823 ZFZFZUKJOKYBCA-SFHVURJKSA-N 376.485 4.084 50 50 GIGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cc(Br)cs2)[C@H]2CCCC=C12 1103341 LSHOQMYJRMOQSI-WFASDCNBSA-N 385.290 4.104 50 50 GIGA N#Cc1ccc(NNC(=O)c2ccc(C(F)(F)F)c(F)c2)c(C(F)(F)F)c1 799754334 KDZCTDFDESHDMD-UHFFFAOYSA-N 391.246 4.492 50 50 GIGA O=C(COc1ccccc1Cl)N/N=C/c1ccccc1OCc1ccccc1 2390470 ZAHIQLYMMTWFGB-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA C/C(=N\NC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1 12648841 LLLKPBIGYPDWAN-VULFUBBASA-N 393.393 4.371 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccccn1 1197708 UAIIMWYIESYKOR-WGOQTCKBSA-N 395.418 4.218 50 50 GIGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1 1960236 STFVTISREGTCHY-SRZZPIQSSA-N 378.259 4.171 50 50 GIGA N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)NCc1cccnc1 17079066 MICOYJQEWFVTJH-UDWIEESQSA-N 387.414 4.023 50 50 GIGA CC(=O)Oc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 651849 FAKSAIGMAKTINZ-CYFREDJKSA-N 398.462 4.497 50 50 GIGA CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)o1 13800437 MAHGPEUDXDDRTM-RAXLEYEMSA-N 388.265 4.434 50 50 GIGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccccc2C#N)o1 706754 DKCPEMAPXWXZDC-FQEVSTJZSA-N 385.423 4.269 50 50 GIGA O=C(NNC(=O)c1cc2cc3ccccc3nc2s1)c1cccc(Cl)c1 1399199 GJGRAOFNHBEFFK-UHFFFAOYSA-N 381.844 4.178 50 50 GIGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(=O)(=O)c1ccccc1 858335 LMVRPIQGZKGSDO-LDADJPATSA-N 380.381 4.193 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(N)cc1 5354220 FHJQZFMLQKLNAV-LSHDLFTRSA-N 388.258 4.120 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1O 5354244 DPDXPOLQHIGTJC-UFFVCSGVSA-N 389.242 4.243 50 50 GIGA CC(C)(C)[Si](OCc1ccc(CO)cc1)(c1ccccc1)c1ccccc1 195982993 AUBBTJZRJRFGME-UHFFFAOYSA-N 376.572 4.256 50 50 GIGA in-vitro C/C(=N\NC(=O)COc1ccc(C)cc1C)c1ccc(Br)s1 1234659 BULSNXUNMWKVDQ-LDADJPATSA-N 381.295 4.047 50 50 GIGA COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(C)C 12382782 UYJBNCBCLXYVFM-LICLKQGHSA-N 391.876 4.474 50 50 GIGA CCOc1ccc(NC(=O)CCC(=O)N/N=C(C)/C=C/c2ccccc2)cc1 12579213 UULFAVBGLSSQFB-OLWBIZNASA-N 379.460 4.010 50 50 GIGA C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 3672646 DIPBEFPDSOVYHY-JOCHJYFZSA-N 382.419 4.079 50 50 GIGA CC(=O)N/N=C/c1nc(-c2ccccc2)n2cc(C(F)(F)F)cc(Cl)c12 263639865 MMWZTSRFKOUZRB-GZIVZEMBSA-N 380.757 4.144 50 50 GIGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 727774 IGCDGTFRRJRFRY-OEAKJJBVSA-N 386.411 4.487 50 50 GIGA Cn1cc(C(=O)c2c(F)cccc2F)cc1/C=C(\C#N)C(=O)c1ccccc1 5219157 BKGHKTCYXIHWAL-XNTDXEJSSA-N 376.362 4.324 50 50 GIGA O=C(OC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 100994712 IUILGHBUWUXVBP-UHFFFAOYSA-N 384.023 4.209 50 50 GIGA O=C(N/N=C/c1ccccc1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 5015661 XPVOTNMXRYPFRC-UDBFKHSRSA-N 395.462 4.164 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 1426852 SFPIBFLAJBMGHC-CYBMUJFWSA-N 395.267 4.368 50 50 GIGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 5051381 DLHRTEIBJAYNDU-QINSGFPZSA-N 389.367 4.409 50 50 GIGA CCCCOC(=O)CSC1=C(C#N)[C@@H](c2cccc3ccccc23)CC(=O)N1 2292946 MRTDGMZRWXQTBG-GOSISDBHSA-N 394.496 4.255 50 50 GIGA CCOC(=O)Cn1c(C)c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21 5028330 YIXLIVUWVLLRSO-FOWTUZBSSA-N 384.439 4.453 50 50 GIGA CCCCc1ccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)cc1 6390594 LOEZGDCQSWDFHM-UHFFFAOYSA-N 393.915 4.382 50 50 GIGA C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=S)N[C@@H](C)c1ccccc1 2856029 WNQGILYKLFDFFC-HOTGVXAUSA-N 399.560 4.008 50 50 GIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)cc1 9015293 BEHCBQUYJCUIMO-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cc(O)cc(O)c1 13321563 CWPFJIYJAKCXEE-FSJBWODESA-N 396.830 4.094 50 50 GIGA CC(C)CCOc1ccc(CN(CC(C)(C)N(C)C)C(=O)[C@@H](C)Cl)cc1 1875363726 VJJCNTYRUSJZLG-QGZVFWFLSA-N 382.976 4.408 50 50 GIGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1 9043971 XMCZNBBJJIPZMV-PHNSAVJNSA-N 386.864 4.229 50 50 GIGA CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)Nc1cccc(Cl)c1 1071404 GNMNLLRGKMFZNW-CYBMUJFWSA-N 375.856 4.085 50 50 GIGA CC(C)c1ccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccccc2Cl)cc1 17076874 JGMFPEBVIPHCNA-ZDUSSCGKSA-N 375.856 4.084 50 50 GIGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(N(C)C)cc3)C3=C2CCCC3=O)cc1 713275 DVXSRTFJLDSJNQ-QHCPKHFHSA-N 398.510 4.366 50 50 GIGA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1 15659610 GEQCBJJFFMTYGM-SDNWHVSQSA-N 389.367 4.409 50 50 GIGA COc1cc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)ccc1O 1189163 BJBLYGIADFZCDK-BUVRLJJBSA-N 387.439 4.049 50 50 GIGA C[C@@H]1O[C@]1(C)C(=O)[C@H](Br)[C@@H](Br)c1ccc(Cl)cc1 239309379 HMKVJMOQBUSHGB-CXSMTQNASA-N 396.506 4.286 50 50 GIGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1c2ccccc2cc2ccccc12 1214249 KBJBJUVJNJCRJJ-ZVHZXABRSA-N 399.406 4.430 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(C34CC5CC(CC(C5)C3)C4)c2[C@@H]1c1ccc(F)cc1 4171150 QQLMQVMIPUAYAI-LNKMMKDDSA-N 390.462 4.235 50 50 GIGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 5050765 LMLAEGXSFCPUAF-WYMLVPIESA-N 388.379 4.199 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccc(O)cc1 9088991 CQNRHKRKRYSKPC-HZHRSRAPSA-N 376.460 4.135 50 50 GIGA COc1ccccc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Cl)cc1 17077500 ZHAXRQMWLLTMEU-UVTDQMKNSA-N 378.819 4.284 50 50 GIGA COc1cc(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1OC 16195110 UBOZMMQEGRUWBC-AUWJEWJLSA-N 388.217 4.229 50 50 GIGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(SC)cc1 1429628 UDKMOEQSFIMIKM-HNNXBMFYSA-N 386.498 4.173 50 50 GIGA CCOC(=O)c1c(NC(=O)c2ccc(C(=O)Cl)cc2)sc2c1CCCC2 2810226 ILNDLLYUZRZOQU-UHFFFAOYSA-N 391.876 4.435 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccncc1 3101650 AJJNDRHFAIJJOH-WGOQTCKBSA-N 395.418 4.218 50 50 GIGA Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccccc2O)c1 1049659 SEDNXUZFVGEVSJ-SYOQMXFQSA-N 384.479 4.465 50 50 GIGA CCOc1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc(OCC)c1OCC 1200762 RXDFQDGOLNCZTP-ZVHZXABRSA-N 395.459 4.128 50 50 GIGA O=C(COc1ccccc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2529695 SNMQXJSHHBXYKH-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1ccco1 5020074 VTMCMJHJQNPXPI-FQEVSTJZSA-N 396.443 4.320 50 50 GIGA Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)nc2c1 5028013 RDYTYGMUKDYWKT-WZUFQYTHSA-N 399.204 4.312 50 50 GIGA COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 7208630 ADVMESOXWHKXKF-FOWTUZBSSA-N 386.407 4.165 50 50 GIGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1 8463189 OHAPYIXEIKQENU-UFFVCSGVSA-N 389.242 4.156 50 50 GIGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2ccc(C)cc2)[nH]n1 1199699 QFUGCOBRRJCQFW-ZVHZXABRSA-N 384.439 4.311 50 50 GIGA CCOC(=O)C(CCCCCBr)(C(=O)OCC)c1ccccc1 44125448 YZOHRFGBGQSNOJ-UHFFFAOYSA-N 385.298 4.006 50 50 GIGA CC(C)c1cccc(-c2ccc(C(=O)NNc3nc4ccccc4c(=O)[nH]3)o2)c1 180706143 MCHVQZUPCRVENE-UHFFFAOYSA-N 388.427 4.063 50 50 GIGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc(O)cc1 13647538 KFTLJLHHLZAPFR-LFVJCYFKSA-N 375.472 4.156 50 50 GIGA COc1ccc(CSCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 1219689 IAZZGJJUZHOLNQ-AWQFTUOYSA-N 383.300 4.386 50 50 GIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(OC)c1OC 2502375 QASRNVZBHIVOPA-FQEVSTJZSA-N 388.423 4.084 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 4209514 JVCJACYGVRTUBD-OEAKJJBVSA-N 378.815 4.323 50 50 GIGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1 245226841 OBLCOJWRFYHRFV-WHFHLVLCSA-N 387.483 4.414 50 50 GIGA CC1(C)[C@H](Br)C(=O)c2cnn(-c3ccccc3)c2[C@@H]1Br 3172021 CGVHERGYTFJMDT-UONOGXRCSA-N 398.098 4.294 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)[nH]n1)c1ccc(O)cc1 39942857 RBATVOQOQGSKLF-AFUMVMLFSA-N 396.450 4.188 50 50 GIGA COc1ccc([C@H]2OC[C@H]3OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O2)cc1 261509095 ZTRSSQRWGPRALW-RDGPPVDQSA-N 378.541 4.412 50 50 GIGA COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 4405623 VDBJRFMNGPOAJV-JJIBRWJFSA-N 397.475 4.251 50 50 GIGA O=C(O)CCSSCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 1875388900 UVDMKCICKCQNAQ-UHFFFAOYSA-N 392.546 4.023 50 50 GIGA C=CCc1cccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1O 2903157 FOCYAPUKGRTQJO-PCLIKHOPSA-N 386.451 4.464 50 50 GIGA CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@H]1c1ccoc1 5020415 BSTOFXONAWOUFS-LJQANCHMSA-N 395.440 4.406 50 50 GIGA C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 5020720 YITHUUVXKHPYLM-GILQPYTJSA-N 387.439 4.176 50 50 GIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)cc1 1056799 TWHOEKWQZJYNIR-JOCHJYFZSA-N 385.467 4.308 50 50 GIGA N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)c1cccc(F)c1 16399090 WWQFEKHTOXCCCQ-MLPAPPSSSA-N 376.181 4.116 50 50 GIGA C[C@H](NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1)c1ccccc1 2970242 VNYURQCDRDDEJH-MPMPPSQCSA-N 398.304 4.299 50 50 GIGA CC[C@@]1(C(=O)OC)C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C 390822669 GNNOCKGGURGXCT-KUHUBIRLSA-N 387.593 4.339 50 50 GIGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccc(F)c(Cl)c1 6789616 FUQIDJGWBWEGNJ-UHFFFAOYSA-N 397.928 4.039 50 50 GIGA CCc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)[nH]n2)cc1 18156370 NSOZRPOYPPUAQF-CIAFOILYSA-N 397.276 4.166 50 50 GIGA CC(=O)Oc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 651847 FAKSAIGMAKTINZ-YADARESESA-N 398.462 4.497 50 50 GIGA Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)cc1 4366151 FWGAXQNYVGBOOZ-PTFSYIGCSA-N 388.467 4.492 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cc(Cl)cc(Cl)c1O 9241008 UBGOZBZWEHYLKT-CQSZACIVSA-N 399.237 4.307 50 50 GIGA N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 16671796 SOLHSYOCZLWYSN-WLRTZDKTSA-N 393.380 4.217 50 50 GIGA C/C(=N/NC(=O)[C@H](C)Sc1nc2ccccc2s1)c1ccccc1C(=O)O 17081723 VGKSUQIILBLKRY-WLQYJRLHSA-N 399.497 4.016 50 50 GIGA COc1cccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c1 1002428 YPAVHVSMPLLKCN-NRFANRHFSA-N 389.430 4.139 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(Br)cc1 13646202 RJURTOSTGZDLGK-FYJGNVAPSA-N 397.276 4.302 50 50 GIGA CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3c(F)cccc3Cl)c2C1 5353137 HNYAHZVOEQYICZ-ZOCVZFIWSA-N 376.863 4.117 50 50 GIGA N#CC1=C(N)S[C@H](c2cccs2)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1Cl 252430862 PCLKYWHKVSTKSF-RRFJBIMHSA-N 377.878 4.312 50 50 GIGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1NC(=O)c1ccccc1 4997666 LECXDFWGKPKADQ-UYRXBGFRSA-N 381.439 4.429 50 50 GIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C 226691767 UTXVFOHELIKLAX-SLOGEKOASA-N 391.309 4.290 50 50 GIGA C/C(=N\NC(=O)c1cccc(F)c1)c1cccc(NC(=O)c2cccc(F)c2)c1 681631 WVYJCUJPZDDXEJ-VULFUBBASA-N 393.393 4.371 50 50 GIGA COc1ccc(NCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 2996132 QQPKUHHFXUWPNR-WSDLNYQXSA-N 380.275 4.344 50 50 GIGA C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 5020718 YITHUUVXKHPYLM-UVBVLWFHSA-N 387.439 4.176 50 50 GIGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3O)c3ccccc3n2)cc1 5753312 YIYXBVUDZPIBJS-AFUMVMLFSA-N 397.434 4.385 50 50 GIGA C=CCNC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 3086058 DECMLVFNXASXQW-SSDVNMTOSA-N 391.258 4.065 50 50 GIGA Cc1ccccc1NC(=O)[C@@H]1[C@@H]2[C@H]3C[C@H](Cl)[C@@H](C3)[C@@H]2ON1c1ccccc1 245310700 KAQDAEQXVSETDF-RNRNKECWSA-N 382.891 4.386 50 50 GIGA Cc1cccc(C(O)(C(=O)NNc2ccc3ccccc3n2)c2cccc(C)c2)c1 1193865 BDCPERLODAXHDF-UHFFFAOYSA-N 397.478 4.231 50 50 GIGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC 4725956 LYMDTJVURVIFIE-KPKJPENVSA-N 384.233 4.407 50 50 GIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5125805 QEFPRLMSROLPDC-AFUMVMLFSA-N 396.450 4.101 50 50 GIGA Cc1nn(C)c(C)c1/C=N/NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 6413241 VSDGNTJLDDXMLV-ISXGRJCASA-N 378.501 4.021 50 50 GIGA CC(C)(C)OC(=O)N1[C@]2(C)C[C@H](Br)[C@@H](Br)C[C@@]12C 101042677 KVQHWEOFWCKLPY-RBJBARPLSA-N 383.124 4.075 50 50 GIGA COCc1n[nH]c(-c2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2)n1 217723663 FBUFPMALIFUSDY-OAHLLOKOSA-N 392.550 4.271 50 50 GIGA biogenic CC[C@@H](C)c1ccc(-c2cc(C(=O)NNC(=S)NC)c3ccccc3n2)cc1 6678294 WMQWAGOAZNEXAW-CQSZACIVSA-N 392.528 4.154 50 50 GIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1Cl 4230261 WTPGHCQEBIGYSI-DNTJNYDQSA-N 384.650 4.044 50 50 GIGA O=C(NNC(=O)c1csc2c1CCCC2)c1ccc(-c2ccccc2F)o1 4820947 XTGOBUHLWDHETN-UHFFFAOYSA-N 384.432 4.101 50 50 GIGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2cccc(Cl)c2)CCCC1 732111642 FZJKKOUTQBJLGW-UHFFFAOYSA-N 382.851 4.345 50 50 GIGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cc(Br)cs2)[C@@H]2CCCC=C12 1103338 LSHOQMYJRMOQSI-IUODEOHRSA-N 385.290 4.104 50 50 GIGA C[C@@H]1[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](COCc3ccccc3)(O2)[C@@H]1O 257356616 JIWKBOIDHNXXGK-POVPESKVSA-N 378.585 4.132 50 50 GIGA C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1O 15835929 GKRWCGSOSFTFJM-ATVHPVEESA-N 378.428 4.074 50 50 GIGA C/C(=N\NC(=O)COc1c(C)ccc(C)c1C)c1ccc(Br)s1 1234624 KXQPGHIDBHWQOC-CPNJWEJPSA-N 395.322 4.355 50 50 GIGA CC1(C)[C@H](Br)C(=O)c2cnn(-c3ccccc3)c2[C@H]1Br 3172024 CGVHERGYTFJMDT-ZIAGYGMSSA-N 398.098 4.294 50 50 GIGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1cccnc1 4260844 YCYZUKRVYAKRCC-WGOQTCKBSA-N 395.418 4.218 50 50 GIGA O=C(CSc1nc2ccccc2s1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 1824292 UUMWRNYWBLHSBX-SPJXWURQSA-N 398.469 4.112 50 50 GIGA C[C@H]1C(=O)[C@@]2(COCc3ccccc3)O[C@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C 169832473 ABMGKKRYPUOUMK-NKMKZGIRSA-N 376.569 4.340 50 50 GIGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1056585 INMHXFUBNIPSFA-IBGZPJMESA-N 376.847 4.040 50 50 GIGA CCOC(=O)/C(C#N)=C/c1ccc(OC)c(COc2cccc3cccnc23)c1 17079268 XNGFGZPOYCYXAU-LDADJPATSA-N 388.423 4.292 50 50 GIGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1c2ccccc2cc2ccccc12 1215933 ZVVORSYRVPMOAR-ZVHZXABRSA-N 399.406 4.430 50 50 GIGA CCCCNC(=O)NNC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 6648923 XKNJKJUTZQWYHH-UHFFFAOYSA-N 382.489 4.016 50 50 GIGA Cc1ccc(NC(=S)NNC(=O)CSCc2ccccc2C)cc1Cl 6789611 JTTMCYCUMSDETG-UHFFFAOYSA-N 393.965 4.208 50 50 GIGA CCOC(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 68562587 QDAPTNBPGQKGLW-UHFFFAOYSA-N 377.444 4.324 50 50 GIGA biogenic,in-vitro Cc1nn(-c2ccccc2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 629564 HYSYIEBXNYPOJN-KRWDZBQOSA-N 380.810 4.191 50 50 GIGA CCOc1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 1243767 TXNNRVCFAMXGME-KOEQRZSOSA-N 389.499 4.459 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 4372807 JLSWARIERQDYCU-OEAKJJBVSA-N 378.815 4.323 50 50 GIGA N#Cc1ccc(NNC(=O)c2c(O)cc(Cl)cc2Cl)c(C(F)(F)F)c1 799753573 IFSKFFQOHKAZRG-UHFFFAOYSA-N 390.148 4.346 50 50 GIGA C=C(C)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 2084393511 VGDSAXWMUWDNTM-VBNFAEQJSA-N 380.481 4.094 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1cccs1 987202 HPDJYDPYYMUMBA-CYBMUJFWSA-N 399.273 4.119 50 50 GIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)cc1 1056797 TWHOEKWQZJYNIR-QFIPXVFZSA-N 385.467 4.308 50 50 GIGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)[nH]n2)c1 5126099 XJZPEFWRMMCLTB-LPYMAVHISA-N 382.851 4.283 50 50 GIGA CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1OCC 17080558 SISONWNMSRIOOT-YBEGLDIGSA-N 394.427 4.148 50 50 GIGA O=C(N/N=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1 676105 CWIZBYMOZURGFA-SRZZPIQSSA-N 399.790 4.184 50 50 GIGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl 1428029 GOGLVCDBPAAVIZ-HNNXBMFYSA-N 398.249 4.063 50 50 GIGA CCOCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1 2475404 JMNCAHVEWPMVOT-SFHVURJKSA-N 376.909 4.395 50 50 GIGA CCn1ncc2c(C(=O)NNc3cc(C)ccc3F)cc(-c3ccccc3)nc21 127681497 ZAYCHKSRRTZOSJ-UHFFFAOYSA-N 389.434 4.323 50 50 GIGA Cc1ccc(/C=C(/C#N)c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)cc1 6922747 SEIFLYNAEPMMHG-ATVHPVEESA-N 399.475 4.354 50 50 GIGA CCSC1=C(C#N)[C@@H](c2ccc(O)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 19802655 VXHPHFRYLYKAEY-HXUWFJFHSA-N 391.496 4.480 50 50 GIGA COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCC(=O)O 5028024 SWPKNKGZGPVYSB-MLPAPPSSSA-N 397.818 4.061 50 50 GIGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccccc1I 25577856 ZHKWHJLSFRXKNK-DUPDGBOPSA-N 390.224 4.110 50 50 GIGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O1 752609 IXIJACAEFRPXSK-HNNXBMFYSA-N 381.259 4.418 50 50 GIGA CCC[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1 43129417 LIDOPKHSVQTSJY-VMEIHUARSA-N 384.277 4.409 50 50 GIGA in-vitro Cc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)[n+]1[O-] 101012982 JFUBBSSVCRJBJI-UHFFFAOYSA-N 384.439 4.123 50 50 GIGA Br[C@H]1[C@H]2C[C@@](Br)(c3ccccc32)[C@@H]1Br 257356807 KKWOYYHIDKQBPV-CPOMMVLXSA-N 380.905 4.305 50 50 GIGA CCCNC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 3086060 LHQKFEHDVIFCBC-SSDVNMTOSA-N 393.274 4.289 50 50 GIGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NCc1ccco1 5061275 JXZHZIUSFSDRIQ-MDWZMJQESA-N 396.786 4.115 50 50 GIGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1Cl 1427326 UDZBZIFGQSDJIN-OAHLLOKOSA-N 398.249 4.063 50 50 GIGA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 663736 XIPYXTMVZYPHHK-OAQYLSRUSA-N 386.455 4.186 50 50 GIGA C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccccc2I)C1 97050925 XPBCAPUPOVQBTA-OOESYIKTSA-N 394.256 4.309 50 50 GIGA O=C(O)CCSSCCNC(=O)c1ccc(Oc2cccc(F)c2)cc1 1875388661 KZQKSNSXBXWADJ-UHFFFAOYSA-N 395.477 4.204 50 50 GIGA Cc1ccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 5588491 WSXKSEPTBLILOJ-NSHDSACASA-N 398.315 4.087 50 50 GIGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1 6217037 NBUKQDOKYUSROH-SRZZPIQSSA-N 378.259 4.171 50 50 GIGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1 629556 CJIDRGSQLAHFQS-KRWDZBQOSA-N 380.831 4.122 50 50 GIGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1cccc(Cl)c1C 6789632 ZSWCFTCTETUCCC-UHFFFAOYSA-N 393.965 4.208 50 50 GIGA N#CC1=C(SCC(=O)c2cccs2)NC(=O)C[C@@H]1c1ccccc1Cl 8994645 JGDDYQRIELIDRX-GFCCVEGCSA-N 388.901 4.356 50 50 GIGA COc1ccc(Br)cc1/C=C(/C#N)c1nc(O)c2ccccc2n1 33858636 VVWBCAFVFFXYOR-WQLSENKSSA-N 382.217 4.171 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@H]1c1cc(F)ccc1F 4820021 LUJYIZKTTHCWCZ-HNNXBMFYSA-N 384.773 4.226 50 50 GIGA C/C(=N/NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 5019959 MLWVTKOXMSYXDW-QFEZKATASA-N 386.411 4.167 50 50 GIGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)sc2c1 5676262 SXSRJSHFYKOODZ-DJKKODMXSA-N 389.820 4.235 50 50 GIGA C/C(=N\NC(=O)c1ccccc1F)c1cccc(NC(=O)c2ccccc2)c1 15934184 CNBYZQVLFYRAAQ-MFKUBSTISA-N 375.403 4.232 50 50 GIGA COC(=O)N/C(=C\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618011 YXIKHDQNAVZKKO-HEHNFIMWSA-O 396.834 4.374 50 50 GIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)cc1 1035390 QZXMUVPPXLWHMA-MFKUBSTISA-N 381.439 4.007 50 50 GIGA O=C(NNC(=O)c1cccc(Br)c1)c1ccc(-c2ccccc2)cc1 1234041 LYXBWCAFNMCSND-UHFFFAOYSA-N 395.256 4.191 50 50 GIGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1O 2568885 LJJLDOPWPJKIOJ-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)n1 2506227 MKCZOVLVWBQPOW-LPYMAVHISA-N 392.484 4.128 50 50 GIGA O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NNc1ccc2ccccc2n1 181085523 WKJBDMKVUCCAIK-UHFFFAOYSA-N 393.834 4.014 50 50 GIGA CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 4751900 OOZVQADKAVEMHG-FQEVSTJZSA-N 388.423 4.366 50 50 GIGA C[C@]12CCN(C(=O)c3ccc(-c4ccncc4)c(F)c3)C[C@H]1[C@@H]2Br 1875265679 GTKDXETYOGMWQE-IEZWGBDMSA-N 389.268 4.133 50 50 GIGA COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 831133 MYSPGZGSZYXDSP-BUVRLJJBSA-N 390.439 4.047 50 50 GIGA CCn1ncc(/C=N/NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1C 6490033 PBIGJRGDKIGVNQ-ISXGRJCASA-N 378.501 4.195 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccccc1O 2570258 NJMDCIYQOINXFV-YDZHTSKRSA-N 394.814 4.029 50 50 GIGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C2CCCCC2)cc1 2391620 XXEIOVHAQRHWKG-PLJQUDPYSA-N 376.456 4.336 50 50 GIGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)[nH]n2)cc1 1197118 ILGIKZFVIJVCRG-LPYMAVHISA-N 382.851 4.283 50 50 GIGA N#Cc1ccc(NNC(=O)c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1 799751304 SJWYVXLCWIOYJO-UHFFFAOYSA-N 389.255 4.233 50 50 GIGA O=C(OCCCl)N1CCC(Sc2ncnc3ccc(Cl)cc23)CC1 2529341 UZSWHEYTAGHGKW-UHFFFAOYSA-N 386.304 4.215 50 50 GIGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1 4372858 NNCHTAJZTYXFHC-KOEQRZSOSA-N 386.451 4.448 50 50 GIGA CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1c[nH]nc1-c1ccccc1 4927795 KESBEJWZTZVIDJ-YDZHTSKRSA-N 382.851 4.038 50 50 GIGA COc1cc(/C=C(\C#N)c2nc(O)c3cc(Cl)ccc3n2)cc(OC)c1OC 4426919 RDVJENHLXQATES-WUXMJOGZSA-N 397.818 4.079 50 50 GIGA CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] 4964342 FUXWDKUISQCLPW-JEZPSQJFSA-N 399.834 4.389 50 50 GIGA O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cc(C2CC2)nc2ccccc12 17080478 MUKOGUIBXNHGNR-AUEPDCJTSA-N 393.830 4.258 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@@H]1c1cc(F)ccc1F 4820022 LUJYIZKTTHCWCZ-OAHLLOKOSA-N 384.773 4.226 50 50 GIGA COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1 169905072 NURVBOJSHJCZPQ-UHFFFAOYSA-N 392.377 4.156 50 50 GIGA in-vitro CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)=C(C#N)[C@H](S)N1 25576408 FAJGISCEJKMFMV-SFHVURJKSA-N 387.917 4.450 50 50 GIGA O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OC2CSC2)cc1 1192522 ACQYWQCCQGMMPP-AWQFTUOYSA-N 392.933 4.077 50 50 GIGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)cc1 9110296 HCFZJJBGMKGION-BUVRLJJBSA-N 389.503 4.105 50 50 GIGA COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(Br)cc1 4807640 UZQPCMOJVHISRA-QPEQYQDCSA-N 389.205 4.439 50 50 GIGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cccnc2)C2=C1CCCC2=O 5336579 WITAKZISZKWCNK-HXUWFJFHSA-N 390.874 4.348 50 50 GIGA Cc1cc(C(=O)N/N=C/c2coc3c(Cl)cc(Cl)cc3c2=O)cs1 655616 OQGPPZFBERPVPM-PTXOJBNSSA-N 381.240 4.234 50 50 GIGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1OC(C)C)C(C#N)=C(N)O2 663737 XIPYXTMVZYPHHK-NRFANRHFSA-N 386.455 4.186 50 50 GIGA CC1=C(C(=O)N/N=C/c2c(O)ccc3ccccc23)Sc2ccccc2N1 1099037 JGTICGPGVXYBGS-WSDLNYQXSA-N 375.453 4.445 50 50 GIGA O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)OCCO2 1233310 RNMLVIZPAZOGGV-WSDLNYQXSA-N 382.803 4.135 50 50 GIGA COc1cc(CBr)c(CBr)c(CBr)c1 3132608 TTZIUBNMQOXXOK-UHFFFAOYSA-N 386.909 4.380 50 50 GIGA CCN(CC)CCOc1ccc(/C(C#N)=C/c2ccc(NC(C)=O)cc2)cc1 71769453 IMYYTLWZNHFLAG-LTGZKZEYSA-N 377.488 4.430 50 50 GIGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(Cl)cc1Cl 2143119 FWVZTSIVGZPNHS-UHFFFAOYSA-N 388.638 4.122 50 50 GIGA CCNC(=S)NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12 6757937 RDNRFLDEAWDROQ-UHFFFAOYSA-N 392.528 4.154 50 50 GIGA NC(=O)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12 1216799 WLRYTKSEJUFBEF-SSDVNMTOSA-N 398.260 4.184 50 50 GIGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)c1 5126094 UXRWAZJDQXAGCL-OEAKJJBVSA-N 376.460 4.363 50 50 GIGA Cn1c(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nc2ccccc21 1193185 VHHKVHYNFXDTAR-AWQFTUOYSA-N 393.299 4.123 50 50 GIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccccc1 2584673 SQYLROSHXBHOSF-OEAKJJBVSA-N 378.815 4.323 50 50 GIGA CCCc1n[nH]c2c1[C@@H](c1ccccc1OCc1ccccc1)C(C#N)=C(N)O2 625589 FIXQVAGYQWHULC-FQEVSTJZSA-N 386.455 4.159 50 50 GIGA CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 19816530 RUVBIJRHTOHCPP-DCINASHKSA-N 391.421 4.056 50 50 GIGA CCn1c(SCC(=O)N/N=C/c2ccc(SC)cc2)nc2ccccc21 1475137 LRTRZYMBTMTXCB-UDWIEESQSA-N 384.530 4.021 50 50 GIGA Ic1ccc(P(c2ccccc2)c2ccccc2)cc1 1857775587 AIKWJRXWQBJGQI-UHFFFAOYSA-N 388.188 4.049 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(Cl)c1Cl 714560 ZSTOBHBDLJJGQV-AWEZNQCLSA-N 385.206 4.318 50 50 GIGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(O)cc1 2513468 UIOMDSRFMPLWSJ-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 5020717 YITHUUVXKHPYLM-FWOCFWLASA-N 387.439 4.176 50 50 GIGA C[C@@H]1[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@](COCc3ccccc3)(O2)[C@@H]1O 257356615 JIWKBOIDHNXXGK-PEVLUNPASA-N 378.585 4.132 50 50 GIGA Cc1ccc(O[C@@]23c4ccccc4[C@@H]([C@@H]4C=CC=C[C@@H]42)[C@H]2C(=O)OC(=O)[C@@H]23)cc1 1848442353 DGSOMQGPOVAAJX-RGYLGLHWSA-N 384.431 4.054 50 50 GIGA CC(C)c1ccc([C@@H](CNC(=O)C2(C)CCCCC2)NC(=O)CCl)cc1 1875383737 DMDZVCUAYQCXES-GOSISDBHSA-N 378.944 4.293 50 50 GIGA C[C@H]1[C@H](O)[C@]2(COCc3ccccc3)O[C@@H]1C[C@H]2O[Si](C)(C)C(C)(C)C 257356614 JIWKBOIDHNXXGK-MWCGGFADSA-N 378.585 4.132 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(C34CC5CC(CC(C5)C3)C4)c2[C@H]1c1cccs1 4126670 NOTKSEJHYGNNOT-KWGKBLMISA-N 378.501 4.157 50 50 GIGA CCc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(Cl)ccc2OC)cc1 17078213 GPWUBKANHRWMDF-FMCGGJTJSA-N 382.851 4.065 50 50 GIGA CN(C)c1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 1305667 SNZJDHUTLRAXNF-KOEQRZSOSA-N 388.515 4.127 50 50 GIGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 1426887 VPJIMLBDTBHUNV-MRXNPFEDSA-N 398.249 4.063 50 50 GIGA COc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)c([N+](=O)[O-])c1 15659592 NSWGXJWPEIYQAT-SDNWHVSQSA-N 395.415 4.219 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2c(C)nn(-c3ccccc3)c2C)n[nH]1)c1ccccc1 5353386 KQJDQCDLGLHKIV-BUVRLJJBSA-N 398.470 4.033 50 50 GIGA N#Cc1ccc(NNC(=O)c2cc(F)cc(C(F)(F)F)c2)c(C(F)(F)F)c1 799751180 JURDLCUYQNMBOE-UHFFFAOYSA-N 391.246 4.492 50 50 GIGA O=C(NNc1ccc([N+](=O)[O-])cc1F)Nc1cccc(C#Cc2cccs2)c1 1475849311 XWZHGUHGHHDFPZ-UHFFFAOYSA-N 396.403 4.344 50 50 GIGA C/C(=N\NC(=O)COc1c(C)cc(Br)cc1C)c1cccs1 1234578 YSEJVOYGXGXRHH-LDADJPATSA-N 381.295 4.047 50 50 GIGA COc1ccc2[nH]c(/C(C#N)=C/c3cc4c(cc3Br)OCO4)nc2c1 5028271 HKBQCTPPUGBPTD-NYYWCZLTSA-N 398.216 4.127 50 50 GIGA COc1ccc(/C(C)=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 12343183 ISHPCKCFPQGAMU-ZVHZXABRSA-N 392.503 4.040 50 50 GIGA CCOC(=O)NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1 1953271 MLVUEQGMPLOMDX-UHFFFAOYSA-N 384.199 4.351 50 50 GIGA Brc1ccc(C(Br)Br)c2nsnc12 97972945 KMSKOKXCCSNUII-UHFFFAOYSA-N 386.894 4.242 50 50 GIGA in-vitro CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 708403 XTWGNLCDAUYBOS-HNNXBMFYSA-N 381.259 4.417 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1cccs1 987201 HPDJYDPYYMUMBA-ZDUSSCGKSA-N 399.273 4.119 50 50 GIGA CN1CCN(c2ccc(/C=C(\C#N)c3ccccc3Br)cc2)CC1 84740552 ZJMDTBBCNMGFMS-SAPNQHFASA-N 382.305 4.265 50 50 GIGA in-vitro CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1ccoc1 5020420 BSTOFXONAWOUFS-IBGZPJMESA-N 395.440 4.406 50 50 GIGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F 2167155 IZRXFRNRDYJCKR-UHFFFAOYSA-N 392.164 4.479 50 50 GIGA CCCc1cc(C(=O)N/N=C/c2ccc(OCC)c(OC)c2)c2ccccc2n1 1003503 RLIXPOHBUZQTOG-BUVRLJJBSA-N 391.471 4.359 50 50 GIGA COc1ccccc1OCC(=O)N/N=C/c1ccccc1Sc1ccccc1 1195836 CHVHQERTEATKOT-HZHRSRAPSA-N 392.480 4.376 50 50 GIGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1c2ccccc2cc2ccccc12 2544317 ZLZGCFOXCJATME-MZJWZYIUSA-N 399.425 4.012 50 50 GIGA O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccc(Br)cc12 2801015 GAGTULVUVHDXJP-AWQFTUOYSA-N 384.233 4.232 50 50 GIGA COc1ccc(/C(C#N)=C/c2cc3c(cc2Br)OCO3)cc1OC 1187635 UUBQXNXHRAFBBD-WLRTZDKTSA-N 388.217 4.259 50 50 GIGA N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc2ccccc2c(=O)[nH]1 9332069 ULUWGZPULDDXCP-ACCUITESSA-N 384.351 4.155 50 50 GIGA COc1ccc2cc(CN(Cc3cc(CF)on3)C(=O)CCl)ccc2c1 1875383915 HFNWPKPQQBPEFX-UHFFFAOYSA-N 376.815 4.074 50 50 GIGA CS/C(N)=C(\C#N)[C@@H](c1ccccc1Cl)[C@H](C#N)C(=O)Nc1ccccc1 4756160 KGLHVSSVPALUSS-QINMPPBMSA-N 396.903 4.259 50 50 GIGA N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccc(F)cc1 4739636 DTVYQMKETQPCHJ-QPEQYQDCSA-N 376.181 4.116 50 50 GIGA N#CC1=C2Nc3ccccc3N2C(=O)[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C1 2325809583 LSFBEILZTFZMBK-NSHDSACASA-N 396.809 4.021 50 50 GIGA CCOc1ccc(OCC)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 1103324 RKQFZGZGSUIDBG-DYESRHJHSA-N 388.471 4.078 50 50 GIGA CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2cccc(OC)c2)cc1 1994774 DXNACBGCVUZZBN-BXDFRRGMSA-N 384.476 4.182 50 50 GIGA CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)NC1CCCC1 6935640 SWIVIOPOGFMFFO-UVTDQMKNSA-N 377.282 4.204 50 50 GIGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(OC)c(Br)c3)nc2c1 4755199 PKVRHQAAKKLKTG-GHXNOFRVSA-N 384.233 4.407 50 50 GIGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 5721502 SEYQTTUDEUPGCF-PFRBSUFTSA-N 389.411 4.179 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)c(F)c1 752530 WODDULCCHDGYJB-VBKZILBWSA-N 378.378 4.173 50 50 GIGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@H](O)c1ccccc1 4287300 QFDBVJYKBUPJLU-JHXRPTDYSA-N 394.858 4.103 50 50 GIGA Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc5c(c4)C(=O)NC5=O)o3)[nH]c2c1 5612455 HDIXVHJUTDHPLW-NTEUORMPSA-N 394.390 4.079 50 50 GIGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OC)c1 102294488 LOGBPFOMFVVAMF-JJIBRWJFSA-N 389.540 4.182 50 50 GIGA CC(C)(C)[Si](C)(C)OCCC[C@@H](N[C@H]1CCC(=O)NC1)c1ccccc1 1875347209 KTKQDVQJTWNSBV-RBUKOAKNSA-N 376.617 4.398 50 50 GIGA CCSC1=C(C#N)[C@@H](c2ccncc2)C(C(=O)Nc2ccccc2)=C(C)N1 4673917 ORCQSUIMPSSCMF-LJQANCHMSA-N 376.485 4.169 50 50 GIGA O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cc(O)cc(O)c1 13321579 ROLDGYDLCMKKHC-FSJBWODESA-N 396.830 4.094 50 50 GIGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(Cl)cc3)c2C)cc1 5295988 JBJIIJADEUIFSM-WSDLNYQXSA-N 382.851 4.201 50 50 GIGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccc(OCC)c3)n[nH]2)cc1 5319069 OCFNIKSLUWCNLC-HZHRSRAPSA-N 392.459 4.028 50 50 GIGA N#C/C(=C(/O)c1ccc(I)cc1)c1nc2ccccc2[nH]1 100505658 FBEUJVWGNXJJEJ-QINSGFPZSA-N 387.180 4.117 50 50 GIGA Br[C@H]1[C@H]2C[C@@](Br)(c3ccccc32)[C@H]1Br 257356808 KKWOYYHIDKQBPV-DMLMCSCLSA-N 380.905 4.305 50 50 GIGA N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NC(=O)Oc1ccc(F)cc1 1197542 NGICDPSIXVURML-YRNVUSSQSA-N 379.174 4.355 50 50 GIGA CCOc1ccc(OCC)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 1103326 RKQFZGZGSUIDBG-LAUBAEHRSA-N 388.471 4.078 50 50 GIGA Cc1ccc(Cl)c(O[C@H](C)C(=O)NNC(=S)Nc2ccc(Cl)cc2)c1 2851679 KZSIOABVKMXDBQ-LLVKDONJSA-N 398.315 4.087 50 50 GIGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc3ccccc23)C2=C1CC(C)(C)CC2=O 1080316 YISZPMBNXSAMRS-NRFANRHFSA-N 386.499 4.053 50 50 GIGA O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cc2ccccc2cc1O 17360111 UIBFVDIHIDUSHS-YDZHTSKRSA-N 389.436 4.449 50 50 GIGA COc1ccc(O)c(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)c1 4360622 MWRPENHHJZPDSA-ZVHZXABRSA-N 390.439 4.052 50 50 GIGA CC(=O)C1=C(C)NC(SCc2cccc([N+](=O)[O-])c2)=C(C#N)[C@@H]1c1ccco1 5020385 KQJRONHIKGFABA-LJQANCHMSA-N 395.440 4.406 50 50 GIGA Cc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc(C)c2)C(Cl)Cl)cc1 5740299 VDIKNATVQXZHMS-MRXNPFEDSA-N 396.343 4.150 50 50 GIGA CC(C)(C)OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60272329 FAAWALIHTWKRML-UHFFFAOYSA-N 377.444 4.322 50 50 GIGA in-vitro C=CCN1C(=O)/C(=N\NC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 101126245 SQMGGZLBSLTPBT-LVWGJNHUSA-N 381.435 4.020 50 50 GIGA O=C(N/N=C/c1ccccc1Br)c1ccc(Br)s1 676361 VFEVKMKMTDHKHI-VIZOYTHASA-N 388.084 4.037 50 50 GIGA Cc1scc(C(=O)NNC(=S)NCCc2ccccc2)c1-c1ccccc1 2852875 WAIRZWWARWNCDF-UHFFFAOYSA-N 395.553 4.075 50 50 GIGA CCn1ncc(/C=N/NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1C 6490032 PBIGJRGDKIGVNQ-YRXLECQKSA-N 378.501 4.195 50 50 GIGA O=C(N/N=C/C=C/c1ccco1)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 33958260 KORAOGIYGYGOOM-UGVWXYMBSA-N 382.423 4.351 50 50 GIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2)c1 2543111 GLFQSRHLDNHMHX-ZVHZXABRSA-N 376.387 4.117 50 50 GIGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 5050507 SRNDVCCEQXJMTA-VBKFSLOCSA-N 388.379 4.199 50 50 GIGA O=C(CSCc1ccc(F)cc1)NNC(=S)Nc1cccc2ccccc12 6403004 AFMDIMAQHCJHAC-UHFFFAOYSA-N 399.516 4.230 50 50 GIGA CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 118915446 YWRGNRUKHBYFTD-QEYSUVLUSA-N 392.898 4.092 50 50 GIGA C/C(=N\NC(=O)COc1cc(C)ccc1C)c1sc2nc(C)nc(C)c2c1C 222062668 WFRIROAXODEMFX-BUVRLJJBSA-N 396.516 4.153 50 50 GIGA O=C(NNc1nc(-c2ccccc2)no1)C1(c2cccc(F)c2)CCCCC1 732111858 MSYDRCXLTGAHDL-UHFFFAOYSA-N 380.423 4.221 50 50 GIGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 3131991 AXCITVIYVQNMBH-DNTJNYDQSA-N 384.650 4.044 50 50 GIGA CC1(C)[C@@H](Br)C(=O)c2cnn(-c3ccccc3)c2[C@@H]1Br 3172023 CGVHERGYTFJMDT-KBPBESRZSA-N 398.098 4.294 50 50 GIGA Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 847168 QLRBEASDNQIIFH-LJQANCHMSA-N 376.847 4.111 50 50 GIGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 2379913 AWNUZWJWKOIDRF-SSDVNMTOSA-N 386.238 4.235 50 50 GIGA C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=S)N[C@H](C)c1ccccc1 2856028 WNQGILYKLFDFFC-HZPDHXFCSA-N 399.560 4.008 50 50 GIGA Cc1ccc(NC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1Cl 13322172 XHNALUPUBILJAN-UHFFFAOYSA-N 383.835 4.033 50 50 GIGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(N(C)C)cc3)C3=C2CCCC3=O)cc1 713276 DVXSRTFJLDSJNQ-HSZRJFAPSA-N 398.510 4.366 50 50 GIGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(Cl)cccc1Cl 1475198 APXDYAYZSOWCBN-UFWORHAWSA-N 379.272 4.112 50 50 GIGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1coc2ccccc2c1=O 2749228 AWKRZUVBHBADBH-XYOKQWHBSA-N 380.787 4.001 50 50 GIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc[n+](Cc2ccccc2)c1 1199759 HAGREZOCULPMCS-FSJBWODESA-O 385.274 4.093 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(C34CC5CC(CC(C5)C3)C4)c2[C@@H]1c1cccs1 4126672 NOTKSEJHYGNNOT-SQUXUUBPSA-N 378.501 4.157 50 50 GIGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(I)o2)c1C 4504380 IZHQPDREDFATSQ-WQLSENKSSA-N 392.196 4.047 50 50 GIGA Cc1ccsc1/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5126063 HZUYCAYHPRODKC-FSJBWODESA-N 386.480 4.462 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1F 752606 GLFJYEXTUYYIRC-RBZFPXEDSA-N 378.378 4.173 50 50 GIGA CC(C)n1cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 17079078 XXMIMCFQCREAPI-YVLHZVERSA-N 387.439 4.174 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1c(Cl)cccc1Cl 626021 ISBFFJRQOPEHKN-AWEZNQCLSA-N 385.206 4.318 50 50 GIGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(Cl)cc2)n[nH]1 5125782 QTHCVJHIGYANMJ-FSJBWODESA-N 390.830 4.353 50 50 GIGA Cc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 2520032 SLAWUBSMCQWLLB-ZVHZXABRSA-N 376.387 4.117 50 50 GIGA COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1OC 2795820 NMIAJTCCQNOWSM-BUVRLJJBSA-N 390.439 4.047 50 50 GIGA O=C(N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)c1cc2ccccc2cc1O 17079801 CRQWCGUAKZHVSG-WYMPLXKRSA-N 390.830 4.353 50 50 GIGA Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(B(O)O)cc32)cc1 170021836 USGCGOMFCOSGCZ-UHFFFAOYSA-N 390.291 4.346 50 50 GIGA in-vitro O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2O)c1)c1ccc(Cl)cc1 2584758 GEVMNSBWHWKAOV-YDZHTSKRSA-N 394.814 4.029 50 50 GIGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Cl)c1O 1004402 GZSIFXIPAWNZNP-GOSISDBHSA-N 378.815 4.426 50 50 GIGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(F)cccc2Cl)[nH]n1 9353794 IVAABYYQCHQKEX-SSDVNMTOSA-N 386.814 4.032 50 50 GIGA O=C(N/N=C/c1cccc(O)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 43190692 WCAHQFPWLKEFFG-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA C[C@]12CCN(C(=O)c3ccc(-c4ccncc4)c(F)c3)C[C@H]1[C@H]2Br 1875265681 GTKDXETYOGMWQE-WDYCEAGBSA-N 389.268 4.133 50 50 GIGA Cc1ccc2nc(/C(C#N)=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 4696817 QBAHDSKTCKVARG-LFYBBSHMSA-N 382.217 4.427 50 50 GIGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1c(O)ccc2ccccc12 102294933 LWILMUURAACBCD-PCLIKHOPSA-N 397.519 4.252 50 50 GIGA CCn1cc(/C=N/NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C)n1 6490224 TUSCAOCFZRGVGP-ISXGRJCASA-N 378.501 4.195 50 50 GIGA C[C@H](C(=O)O)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1 169800114 LXJQZLQHALHKMB-GOEBONIOSA-N 381.545 4.024 50 50 GIGA N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(N)=S 2890170 BHYJXSKGJDSWFQ-QPEQYQDCSA-N 391.265 4.360 50 50 GIGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc(C(C)C)cc2)cc1 6400676 DJQWVFVIIDVMND-UHFFFAOYSA-N 387.574 4.369 50 50 GIGA C/C(=N\NC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccnc1 5030285 VVCCJALJWVAGSM-OGLMXYFKSA-N 393.450 4.360 50 50 GIGA C/C(=N\NC(=O)c1ccc(O)cc1)c1cccc(NC(=O)c2ccc(C)s2)c1 13321573 SBJWCXNJDRDHLN-OEAKJJBVSA-N 393.468 4.168 50 50 GIGA Cc1ccc(C(=O)OC[C@H]2O[C@@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1 4543933 FJHSYOMVMMNQJQ-IPMKNSEASA-N 388.847 4.040 50 50 GIGA in-vitro COc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Cl)c2)cc1OC 5060091 ULSCHBOWHJUBGC-FYJGNVAPSA-N 392.908 4.131 50 50 GIGA CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c2ccccc21 15225909 NJMDLZFYXRNLOQ-ATVHPVEESA-N 387.439 4.059 50 50 GIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccco1 1199090 LHUIZUDXTZMSSR-OAQYLSRUSA-N 392.480 4.489 50 50 GIGA N#Cc1ccc(NNC(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1 799751641 QSHONFYPSKMQHQ-UHFFFAOYSA-N 391.246 4.492 50 50 GIGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1189185 DWTMVPZESSTSNN-NTCAYCPXSA-N 389.367 4.409 50 50 GIGA CCc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)sc2c1 689125 OPMCNCFXBKFPJS-QGMBQPNBSA-N 377.809 4.382 50 50 GIGA Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1C(Cl)Cl 828666 GQLFFJCDBUFYDN-HNNXBMFYSA-N 377.275 4.338 50 50 GIGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 5296760 IKNFCGLJTJPKTB-PCLIKHOPSA-N 396.450 4.420 50 50 GIGA CC(C)(C)[Si](C)(C)OCc1ccc(Cn2nnc3ccccc3c2=O)cc1 253426555 XQCKJUYFDNLLIU-UHFFFAOYSA-N 381.552 4.362 50 50 GIGA O=C(Oc1ccc(/C=N/NC(=O)c2cccs2)cc1)c1cccc(Cl)c1 4210395 WWMPDHAHOULSKQ-CIAFOILYSA-N 384.844 4.385 50 50 GIGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2)cc1 4292876 KNCDZBXWQCSARC-AFUMVMLFSA-N 392.430 4.242 50 50 GIGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cnc4ccccc4n3)sc2c1 13331961 QVUHDHRZKAHPFQ-LSHDLFTRSA-N 396.859 4.270 50 50 GIGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 1197112 ZLPQXLLETFLHOG-BUVRLJJBSA-N 383.455 4.060 50 50 GIGA COc1ccc(Cl)cc1C(=O)N/N=C\c1c[nH]nc1-c1ccc(Cl)cc1 5593356 FCXJAKKNWGMSEE-YVNNLAQVSA-N 389.242 4.156 50 50 GIGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccco1 5020086 VHARATGHRIWOTN-HXUWFJFHSA-N 378.453 4.181 50 50 GIGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccccc2Cl)n[nH]1 867746 WKBGDVCWCYAECS-ZVBGSRNCSA-N 377.206 4.287 50 50 GIGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 1216147 MOFPJVOJSRKMRP-VURRPDKYSA-N 381.657 4.020 50 50 GIGA CC(=O)c1cccc(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(Cl)cc2)c1 17079800 URNBSKWEYMYWIJ-SXGWCWSVSA-N 390.830 4.478 50 50 GIGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1 4259804 ISLNFUHVOUFIDX-ZVHZXABRSA-N 376.387 4.117 50 50 GIGA CCCc1n[nH]c2c1[C@H](c1ccccc1OCc1ccccc1)C(C#N)=C(N)O2 4135695 FIXQVAGYQWHULC-HXUWFJFHSA-N 386.455 4.159 50 50 GIGA CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])ccc21 4160076 MHYREVAJCRVGII-OEAKJJBVSA-N 386.411 4.487 50 50 GIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C3CCCCC3)cc2)cc1 2542829 PCECDWDFKIPFMK-LFVJCYFKSA-N 394.471 4.335 50 50 GIGA COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1 15685691 MKLOEFDLZIFCEB-STZFKDTASA-N 385.467 4.326 50 50 GIGA COc1ccc(OCc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1 676170 VTEWIHUWVWDGOF-WSDLNYQXSA-N 384.819 4.285 50 50 GIGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccccc1Cl 8971531 QBCWTTUUVVFECH-OAHLLOKOSA-N 397.887 4.051 50 50 GIGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1 17081174 DEFIUOJXDPVTAF-JYRVWZFOSA-N 396.809 4.423 50 50 GIGA Cn1ccnc1C(=O)c1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1 218119882 CPZMTTHIIQLQST-MRXNPFEDSA-N 389.546 4.304 50 50 GIGA biogenic O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(OC2CCCC2)cc1 1003491 QMDGAWUQPODANK-SSDVNMTOSA-N 386.835 4.154 50 50 GIGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(O)cc1O 2513481 IVWZXSNTCJEVJX-FSJBWODESA-N 396.830 4.094 50 50 GIGA CC1CCC(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)CC1 1875384265 NIKXOEGVOITZCR-LAGYLCCXSA-N 386.923 4.178 50 50 GIGA CC(=O)Oc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 651842 FAKSAIGMAKTINZ-NTKDMRAZSA-N 398.462 4.497 50 50 GIGA Cc1ccc2nc(-c3ccc(OCC(=O)NN)cc3)cc(-c3ccccc3)c2c1 856242 YOIAXKFZQIKFHA-UHFFFAOYSA-N 383.451 4.246 50 50 GIGA Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2)cc1 4327271 LAESILYLYKRJOX-MFKUBSTISA-N 388.467 4.412 50 50 GIGA N#C/C(=C\c1ccc(COc2ccc3cc(Br)ccc3c2)o1)C(N)=O 2775123 PRTARUIHPMQRKB-NTEUORMPSA-N 397.228 4.167 50 50 GIGA C=CCOc1ccc([C@H]2C(C#N)=C(n3cccc3)OC(C)=C2C(=O)OCC)cc1 4751309 LRFNACKSYUXZEF-NRFANRHFSA-N 390.439 4.396 50 50 GIGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1cccc2ccccc12 2571827 SKIBRDOGNDZKBF-SSDVNMTOSA-N 386.238 4.235 50 50 GIGA C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc(Br)cc1 945884 VATCVOZVWDLDMM-FYJGNVAPSA-N 397.276 4.302 50 50 GIGA Cc1ccc(Cl)c(-n2nnc(C(=O)Nc3ccc(SC#N)cc3)c2C)c1 8022475 WHCLEJFTBHMIOQ-UHFFFAOYSA-N 383.864 4.363 50 50 GIGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CCCC3=O)cc1 1436325 NDFIYAGDHYAKGA-LJQANCHMSA-N 377.469 4.061 50 50 GIGA Cc1ccc(C(=O)OC[C@H]2O[C@H](Cl)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1 6070809 FJHSYOMVMMNQJQ-OTWHNJEPSA-N 388.847 4.040 50 50 GIGA in-vitro CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(F)cc1 102295012 HPWGXOJCSYMCNG-LFVJCYFKSA-N 377.504 4.313 50 50 GIGA O=C(N/N=C/c1ccco1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 867868 FWWILNWKFUHAEA-OEAKJJBVSA-N 386.411 4.013 50 50 GIGA C=CCn1c2c(s/c1=N\C(=O)NNc1ccccc1)CCc1ccccc1-2 4567725 FSGJEWKLWUHHTA-DQRAZIAOSA-N 376.485 4.139 50 50 GIGA O=C(CCCOc1ccc(Cl)cc1Cl)NNc1ccc([N+](=O)[O-])cc1 4946854 DNNSZAILKJBSRX-UHFFFAOYSA-N 384.219 4.204 50 50 GIGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5296813 DJVRPZMREVZPLN-AFUMVMLFSA-N 380.451 4.401 50 50 GIGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 945688 SPIJLKCMMZOXOO-SSDVNMTOSA-N 377.835 4.284 50 50 GIGA Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1C(Cl)Cl 828667 GQLFFJCDBUFYDN-OAHLLOKOSA-N 377.275 4.338 50 50 GIGA COC(=O)N/N=C(/C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 1200735 GKWLIMHXTMLVKF-FBHDLOMBSA-N 380.231 4.326 50 50 GIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2F)cc1 2519890 JIFSGBVMKYLGDV-ZVHZXABRSA-N 376.387 4.117 50 50 GIGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4210779 BLSSDVWIWNOPDH-KNIYNQPWSA-N 384.435 4.378 50 50 GIGA CC/C(=N\NC(=O)COc1cc(C)ccc1C)c1ccc(Br)s1 5614139 SJLQNEOQVLSTRK-CPNJWEJPSA-N 395.322 4.437 50 50 GIGA Cc1ccc(NC(=S)NNC(=O)CCSCc2cccc(F)c2)c(C)c1 17080012 GOYIAXWVZFGCOF-UHFFFAOYSA-N 391.537 4.084 50 50 GIGA COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(OC)c1 15745719 JIDYKCNRHURPLR-JYRVWZFOSA-N 387.233 4.012 50 50 GIGA CCOC(=O)C1=C(c2ccccc2)NC(SCC)=C(C#N)[C@@H]1c1cccnc1 1089528 FXKRUHFBWXBHRN-SFHVURJKSA-N 391.496 4.231 50 50 GIGA CCOc1cc(/C=N/NC(=O)C2CCCCC2)ccc1OC(=O)c1ccccc1 2531328 UAUCTZGOKQXQAM-LFVJCYFKSA-N 394.471 4.335 50 50 GIGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)c(Br)c2)c1 15012329 WUVHYHZSVLJHGW-GDNBJRDFSA-N 384.277 4.369 50 50 GIGA O=C(NNC(=S)Nc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 653627 PZQVOJSWNUVGTK-CABCVRRESA-N 380.300 4.115 50 50 GIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 867816 CJVPHERLZOURCY-UFFVCSGVSA-N 389.242 4.156 50 50 GIGA O=C(CCl)Nc1ccc2c(ncn2-c2ccccc2)c1C(=O)c1ccccc1 1194051 TVWKEPOYDDIYDM-UHFFFAOYSA-N 389.842 4.434 50 50 GIGA Cc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(C)cc2)C(Cl)Cl)cc1 3109731 BZNOSSLHSGLKKD-MRXNPFEDSA-N 396.343 4.150 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 13618453 LATLRTUTBOBCEN-OEAKJJBVSA-N 399.410 4.292 50 50 GIGA COc1ccccc1O[C@H](C)C(=O)N/N=C(\C)c1ccc(Cl)c(Cl)c1 43763781 YLNSFTJCFCHLKR-KIHMUJGBSA-N 381.259 4.310 50 50 GIGA COC(=O)c1c(NC(=O)CCCl)sc2c1CC[C@H](c1ccccc1)C2 74941597 HBEFZZGMJPPGJL-ZDUSSCGKSA-N 377.893 4.375 50 50 GIGA O=C(CSCc1ccccc1)NNC(=S)Nc1cccc2ccccc12 6392864 QSHSYOJKXQDPGI-UHFFFAOYSA-N 381.526 4.091 50 50 GIGA C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccc2ccccc2c1 5296874 VADPOJYIXYAFBT-MFKUBSTISA-N 380.451 4.483 50 50 GIGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 4160127 FKWFSPQCIDXKEA-MDWZQWPHSA-N 380.835 4.168 50 50 GIGA CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)cc3)[nH]n2)cc1 4677949 GSCQUYYVMLFFIY-HZHRSRAPSA-N 392.459 4.028 50 50 GIGA CNC(=S)NNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccc(C)cc12 6860160 UODHAMGANBSCLN-UHFFFAOYSA-N 392.528 4.072 50 50 GIGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(Br)ccc1O 2896781 TXPFAUXWWMUFOY-CNHKJKLMSA-N 388.048 4.225 50 50 GIGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 5052062 NNMZQFQSXVQKEQ-OWBHPGMISA-N 389.367 4.409 50 50 GIGA Cc1ccc(NC(=O)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)c(C)c1 17081660 GFLFEEHOXWUWMP-UHFFFAOYSA-N 399.344 4.007 50 50 GIGA C/C(=N\NC(=O)[C@H](C)Oc1cc(C)ccc1Cl)c1ccc(-n2ccnc2)cc1 20357252 ZBPBRDBXANKZEV-WTJYETQFSA-N 396.878 4.142 50 50 GIGA Cc1cc(C)c(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)c(C)c1 2080944 SMDSEZFIUOQWQE-FPQGOQEYSA-N 389.293 4.292 50 50 GIGA CCOCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1 2475403 JMNCAHVEWPMVOT-GOSISDBHSA-N 376.909 4.395 50 50 GIGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)c2ccccc2n1 695912 PITOYURYROBWTG-WGOQTCKBSA-N 396.450 4.459 50 50 GIGA CCOc1ccc(OCC)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 1103327 RKQFZGZGSUIDBG-UWJYYQICSA-N 388.471 4.078 50 50 GIGA Cc1cc(O[C@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)ccc1Cl 672998 ZDKUIMCZEYKNSZ-CHOFVFFHSA-N 382.847 4.425 50 50 GIGA Cc1ccc(NC(=O)NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc1 2762744 WSSAVGNYMWCVCC-UHFFFAOYSA-N 399.834 4.287 50 50 GIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(Br)ccc1O 2816637 ZBCBUJCPLMKAPH-CNHKJKLMSA-N 388.048 4.225 50 50 GIGA C=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC 101021940 DDLADLOWIYKHNS-UHFFFAOYSA-N 375.428 4.100 50 50 GIGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 4258933 SHHYVIZGHWOXMD-DNTJNYDQSA-N 384.650 4.044 50 50 GIGA CC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1c[nH]c2ccccc12 1201568 TWXZFUILQIXFST-ORWNMUSCSA-N 399.292 4.271 50 50 GIGA O=C(NNC(=O)c1sc2cccc(Cl)c2c1Cl)NC1CCCCC1 695976 RYZMHQYIYYOZJV-UHFFFAOYSA-N 386.304 4.485 50 50 GIGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 2544205 NYRBSAIZXIUKNK-TZFUXPCGSA-N 376.243 4.137 50 50 GIGA N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@@H]1c1cccnc1 8782280 XAHMRLIGEWVAPN-SFHVURJKSA-N 378.229 4.215 50 50 GIGA Cc1ccc(O[C@@]23c4ccccc4[C@@H]([C@@H]4C=CC=C[C@@H]42)[C@H]2C(=O)OC(=O)[C@H]23)cc1 1848442351 DGSOMQGPOVAAJX-GGLXXYBVSA-N 384.431 4.054 50 50 GIGA C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)s1 5009878 CUFHWUWHKYGCMK-HYARGMPZSA-N 384.888 4.178 50 50 GIGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)c1 5796288 CKYHGKSCQKHVEJ-MFKUBSTISA-N 381.439 4.007 50 50 GIGA CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C(N)O1 994183 JRLDUKQGKZQPON-GOSISDBHSA-N 380.831 4.165 50 50 GIGA CN(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F 1382006 IUKFDRTTWBMOPF-UHFFFAOYSA-N 380.757 4.083 50 50 GIGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1cccc(Cl)c1 2388509 FWXDBOHLDBVKNZ-VXLYETTFSA-N 381.657 4.265 50 50 GIGA C[C@]12CCN(C(=O)c3ccc(-c4ccncc4)c(F)c3)C[C@@H]1[C@@H]2Br 1875265678 GTKDXETYOGMWQE-AYBZRNKSSA-N 389.268 4.133 50 50 GIGA Cn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nc2ccccc21 1193255 XSCZHQDYUAKQFV-AWQFTUOYSA-N 393.299 4.123 50 50 GIGA Cc1ccsc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 5030471 DCBNFJAUVUBJHB-ZQWOEWKVSA-N 395.509 4.039 50 50 GIGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccn3C)c3ccccc3n2)c1 1002506 ZXMQIHMYAZBRED-PCLIKHOPSA-N 398.466 4.403 50 50 GIGA CCCCOC(=O)CSC1=C(C#N)[C@H](c2cccc3ccccc23)CC(=O)N1 2292947 MRTDGMZRWXQTBG-SFHVURJKSA-N 394.496 4.255 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1C(F)(F)F 2322751 XTAZUJXPBIWIMA-HNNXBMFYSA-N 384.313 4.030 50 50 GIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)cc1 1057122 NOCYVDILDSUTKL-JOCHJYFZSA-N 385.467 4.308 50 50 GIGA COCc1nc(-c2cccc(NC(=O)CCCC[C@H]3CCSS3)c2)n[nH]1 334160962 PRLAVEPBRHRNSC-HNNXBMFYSA-N 392.550 4.271 50 50 GIGA biogenic COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)COc1ccc(Cl)cc1 850717 HPXZMGQKMYFZQD-DNTJNYDQSA-N 387.650 4.185 50 50 GIGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(Cl)c(Cl)c1 1240588 QPGGTPFTUDVKFE-UFWORHAWSA-N 379.272 4.112 50 50 GIGA COc1ccc(Br)cc1/C=C(\C#N)c1nc(O)c2ccccc2n1 8567609 VVWBCAFVFFXYOR-XYOKQWHBSA-N 382.217 4.171 50 50 GIGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1C 752571 GENWIOFUPVMPMV-VGOFRKELSA-N 386.451 4.212 50 50 GIGA CC(C)(C)C(=O)NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100855386 WVCBJRFHIFETEQ-UHFFFAOYSA-O 376.460 4.100 50 50 GIGA N#Cc1ccccc1OCC(=O)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 22339892 CPAGGPIGKYQSNO-IPIVFHEZSA-N 399.410 4.208 50 50 GIGA COCc1c(F)c(F)c(COC(=O)[C@@H]2[C@@H](/C=C(/C)C#N)C2(C)C)c(F)c1F 59042856 DPJITPZADZSLBP-DQXQJKBJSA-N 385.357 4.175 50 50 GIGA in-man CCOc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2521806 FMDQRZBEHWRNJV-UFFVCSGVSA-N 395.242 4.081 50 50 GIGA CCCc1ccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 5672054 MHXFTJFECQVAEO-YDZHTSKRSA-N 381.863 4.370 50 50 GIGA CCOc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1OCC 1188625 CWIMVCPDPDYQRQ-MFKUBSTISA-N 391.471 4.199 50 50 GIGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1cccc([N+](=O)[O-])c1 2819891 BYEXUDQSCPNUQT-YAQJAHMSSA-N 394.214 4.096 50 50 GIGA CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)cc3)n[nH]2)cc1 4527975 LEAJKSFTAAJZRA-HZHRSRAPSA-N 376.460 4.328 50 50 GIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 711285 SOQSCSUCGCDSLS-OAHLLOKOSA-N 385.206 4.318 50 50 GIGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 727865 KHYAGTIPPLPTAA-OAHLLOKOSA-N 381.259 4.418 50 50 GIGA O=C(O)CCSSCCNC(=O)c1ccc(-c2ccc(F)cc2)cc1F 1875388550 GGZZXTUQEJGFRQ-UHFFFAOYSA-N 397.468 4.218 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)c1cccc([N+](=O)[O-])c1 9088706 QYXANNAOGOGOPS-OEAKJJBVSA-N 399.410 4.292 50 50 GIGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 409134435 SRBSUEQNTFIFKW-QFIPXVFZSA-N 388.398 4.328 50 50 GIGA O=C(O)CCSSCCNC(=O)C1(Cc2ccc(F)cc2)CCCCC1 1875388712 NEIUNHUOGBPVEM-UHFFFAOYSA-N 399.553 4.291 50 50 GIGA CC(C)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 17077355 RFMIIOIKCFEJHB-GZTJUZNOSA-N 378.428 4.038 50 50 GIGA COc1ccc(/C=N\NC(=O)c2ccccc2F)cc1COc1ccc(F)cc1 32578308 PWPPPMOPIVJNHL-MXAYSNPKSA-N 396.393 4.316 50 50 GIGA CCCc1cc(C(=O)N/N=C/c2ccc(OC)c(C)c2OC)c2ccccc2n1 1003517 MNLDFVLOYDXSPV-ZVHZXABRSA-N 391.471 4.277 50 50 GIGA FC(F)(F)c1cnc(N2CCN(c3nc(CCl)cs3)CC2)c(Cl)c1 20218736 GKWGVZNBWRMUBE-UHFFFAOYSA-N 397.253 4.276 50 50 GIGA CC(C)(C)c1ccc(/C=N/NC(=O)COc2cccc(Br)c2)cc1 3136439 SWKNYGFFDZEAOY-CIAFOILYSA-N 389.293 4.276 50 50 GIGA O=C(CCC(=O)Nc1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1 1960332 RDUQUWAMZQRRCM-JJIBRWJFSA-N 387.439 4.348 50 50 GIGA CN(NC(=O)Nc1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F 1381971 CPIGQFSEEKWADY-UHFFFAOYSA-N 395.772 4.475 50 50 GIGA Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)c1 4209877 QZFDAVGONIPZGI-PFFUAXQRSA-N 384.435 4.378 50 50 GIGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1OC)C(C#N)=C(N)O2 1303937 WIAALCXLVWUTHH-HXUWFJFHSA-N 386.455 4.052 50 50 GIGA Cc1c(-c2csc(/C(C#N)=C/c3ccco3)n2)c(=O)n(-c2ccccc2)n1C 4580255 BKGKXBVIVQEOCK-RVDMUPIBSA-N 388.452 4.265 50 50 GIGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccccc1 2858011 JVZYOSXBAJNELH-LDADJPATSA-N 380.381 4.193 50 50 GIGA O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 2566451 ZBOVSPWBSQFTQA-SSDVNMTOSA-N 386.238 4.235 50 50 GIGA COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 17077501 GQRWAFNOBAWOJK-UVTDQMKNSA-N 378.819 4.284 50 50 GIGA C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2cccnc2)c1 4650861 OCOKRDSLSUFZKA-AFUMVMLFSA-N 392.846 4.141 50 50 GIGA Cc1sc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21 4751936 UMRJEVZFQPDDAU-IBGZPJMESA-N 399.475 4.280 50 50 GIGA O=C(N/N=C\c1cc2ccccc2nc1Cl)c1ccc(Br)cc1 16666955 DWTRCDDHPRGOOY-JMIUGGIZSA-N 388.652 4.415 50 50 GIGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(Br)c1 1233697 BABCQHQRHRODNG-CIAFOILYSA-N 383.245 4.131 50 50 GIGA O=C1c2ccccc2C(=O)C1(Br)[C@H](Br)c1ccccc1 1745165 FHJMGLKGPTXNQZ-CYBMUJFWSA-N 394.062 4.336 50 50 GIGA Cc1scc(CN(Cc2ccc3c(c2)OCCCO3)C(=O)CCl)c1C 1875384875 XZQJPNWDYFHZSV-UHFFFAOYSA-N 379.909 4.294 50 50 GIGA Cc1cccc(NC(=S)NNC(=O)COc2ccc(Cl)c(Cl)c2)c1C 1117652 XQGKPPYXXULSNY-UHFFFAOYSA-N 398.315 4.007 50 50 GIGA CCO[Si](CCP(c1ccccc1)c1ccccc1)(OCC)OCC 169743378 HLXCYTXLQJWQFG-UHFFFAOYSA-N 376.509 4.168 50 50 GIGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)c(F)c1 752527 WODDULCCHDGYJB-VLIAUNLRSA-N 378.378 4.173 50 50 GIGA O=C(COc1ccccc1Cl)N/N=C/c1cccc(OCc2ccccc2)c1 2597262 UNGJIUMJLRNUNW-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA CC(C)c1cc(C(C)C)c(S(=O)(=O)NNC(=O)C(C)(C)C)c(C(C)C)c1 3082376 SQMMCOAWCSAQJI-UHFFFAOYSA-N 382.570 4.412 50 50 GIGA CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 4756181 HLSJQOZLTLAVGO-BOPFTXTBSA-N 375.428 4.186 50 50 GIGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC1(c1ccccc1)c1ccccc1 1229933 KSDSWFGWGUPUDM-DOZBRYHWSA-N 385.423 4.051 50 50 GIGA O=C(N/N=C/c1ccoc1)c1ccc(COc2ccccc2Br)cc1 2764625 XHSJIBWMWPBUNB-SRZZPIQSSA-N 399.244 4.385 50 50 GIGA CC/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(-c2ccccc2)cc1 4458546 HUEUIBHXBXNFQV-JHZJBCQPSA-N 386.451 4.424 50 50 GIGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C)cc3)[nH]n2)cc1 5579830 NIJDRIINRPCZMG-XQNSMLJCSA-N 376.460 4.328 50 50 GIGA Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 994163 LRTDULZLVQAQPA-QFBILLFUSA-N 387.443 4.114 50 50 GIGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1c(O)ccc2ccccc12 2521983 ORNPWWUNFJMGEE-LSHDLFTRSA-N 389.238 4.381 50 50 GIGA N#CC1=C(N)Oc2[nH]nc(C34CC5CC(CC(C5)C3)C4)c2[C@H]1c1ccc(F)cc1 4171149 QQLMQVMIPUAYAI-KGLSSGQOSA-N 390.462 4.235 50 50 GIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CCC3)cc1 1057119 NOCYVDILDSUTKL-QFIPXVFZSA-N 385.467 4.308 50 50 GIGA COc1ccc(-c2cc(C(=O)N/N=C/C(Cl)=C/c3ccccc3)[nH]n2)cc1 5297731 OGMLEUHMKUQOKM-HNYPPXODSA-N 380.835 4.081 50 50 GIGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 1426851 SFPIBFLAJBMGHC-ZDUSSCGKSA-N 395.267 4.368 50 50 GIGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1 2566873 CJGZRUICKQQZDJ-ZVHZXABRSA-N 394.858 4.448 50 50 GIGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 1426886 VPJIMLBDTBHUNV-INIZCTEOSA-N 398.249 4.063 50 50 GIGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(Cl)cc1Cl 2367132 VPSHYCJQLDUHLT-AMLNBPPMSA-N 375.259 4.130 50 50 GIGA N#Cc1ccc(NNC(=O)c2cc(Cl)c(N)c(Cl)c2)c(C(F)(F)F)c1 799853056 HTOBGDSGRVPYRV-UHFFFAOYSA-N 389.164 4.223 50 50 GIGA O=C(NNC(=S)Nc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 653625 PZQVOJSWNUVGTK-LSDHHAIUSA-N 380.300 4.115 50 50 GIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 9088277 CMEUTQKOJADALY-BUVRLJJBSA-N 384.439 4.393 50 50 GIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)cc1 9375070 ODZDINNBBMRDTC-YDZHTSKRSA-N 387.443 4.029 50 50 GIGA O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cc(O)cc(O)c1 13322440 XOOWZNICZTUNQM-FSJBWODESA-N 396.830 4.094 50 50 GIGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)COc1cc(C)ccc1C(C)C 4989938 FBYVCILHNLLAIF-ARGNBYNPSA-N 394.471 4.431 50 50 GIGA Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc(C)c2)C(Cl)Cl)cc1 5740301 VDIKNATVQXZHMS-INIZCTEOSA-N 396.343 4.150 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(F)cc1 2578298 GYYSFMFSYVSRRO-ZMOGYAJESA-N 396.805 4.462 50 50 GIGA COc1cccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CCC3)c1OC 4751366 JFROSZIKKOWQSJ-IBGZPJMESA-N 376.412 4.019 50 50 GIGA Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 994162 LRTDULZLVQAQPA-APWZRJJASA-N 387.443 4.114 50 50 GIGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3Cl)[nH]n2)cc1 5125870 XUYOMYMKVXPUSR-SSDVNMTOSA-N 386.814 4.032 50 50 GIGA O=C(Cc1ccccc1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 731325 IJJSHLURFLOQIU-BUVRLJJBSA-N 392.842 4.252 50 50 GIGA Cn1c2ccccc2c2cc(C(=O)NNC(=O)c3cccc(Cl)c3)sc21 1406174 ICTFCVAMQXFUHL-UHFFFAOYSA-N 383.860 4.121 50 50 GIGA BrCC1(CBr)CC2(COC(c3ccccc3)OC2)C1 101092642 VQUPXIAEILPFDM-UHFFFAOYSA-N 390.115 4.288 50 50 GIGA CCO[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(OCC)OCC 169806524 CUVIJHAPWYUQIV-UHFFFAOYSA-N 390.368 4.232 50 50 GIGA in-vitro C=CCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC 408766380 CYDZNTXYBMDUCT-CFRMEGHHSA-N 392.377 4.433 50 50 GIGA N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)N1CCOCC1 858302 HJMJZJBWLSTRFV-FMIVXFBMSA-N 377.227 4.019 50 50 GIGA C[C@H](NC(=O)C[C@@H](NC(=O)CCl)c1ccccc1)c1ccc(Cl)s1 1875384759 WNVGBQHYYJKEGY-WCQYABFASA-N 385.316 4.065 50 50 GIGA COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)c(Br)cc1O 4494446 PNKALLUVKOKYHZ-WUXMJOGZSA-N 384.233 4.412 50 50 GIGA Cc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)[C@@H](F)Cl)cc1 22016186 QPHIAKLLBDEQHX-CQSZACIVSA-N 379.787 4.302 50 50 GIGA O=C(N/N=C/c1cccc(O)c1)c1ccccc1OCc1ccc(Cl)cc1 43190701 FJRYXQXBNQSCSY-YDZHTSKRSA-N 380.831 4.389 50 50 GIGA N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1ccc(F)cc1 15684555 DPDVFTFCNSHZTN-PTNGSMBKSA-N 376.343 4.330 50 50 GIGA Cc1cc(C)c([N+](=O)[O-])c(C)c1[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 994164 LRTDULZLVQAQPA-LPHOPBHVSA-N 387.443 4.114 50 50 GIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 2553205 DBARTCIWOLNJLL-LFVJCYFKSA-N 387.439 4.130 50 50 GIGA C=CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 4372800 BTOCKFWODMTAIM-SRZZPIQSSA-N 379.243 4.087 50 50 GIGA CCCC1=C(C(=O)OCC)[C@H](c2cccc(C(F)(F)F)c2)C(C#N)=C(N)O1 755776 RSTCAGIMLACKSO-OAHLLOKOSA-N 380.366 4.130 50 50 GIGA CC[C@H](C)c1ccc(NC(=S)NNC(=O)CSCc2ccccc2)cc1 5949843 DIOOFIWXMJOTTO-HNNXBMFYSA-N 387.574 4.451 50 50 GIGA C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2cccc(F)c2)c1 15934174 IDUSKRUCEHFNBD-VULFUBBASA-N 393.393 4.371 50 50 GIGA Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc(O)cc(O)c2)c2ccccc21 13322031 CNFXUBOJQCPAMH-DHRITJCHSA-N 399.450 4.173 50 50 GIGA N#Cc1ccc(NNC(=O)c2cc(C(F)(F)F)ccc2F)c(C(F)(F)F)c1 799749893 QKADMMVVQOPBQJ-UHFFFAOYSA-N 391.246 4.492 50 50 GIGA CC(C)c1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(N)=S)cc1 2884181 DKKXQVFQBJABPG-LFIBNONCSA-N 379.485 4.021 50 50 GIGA C/C(=N\NC(=O)[C@@H](C)Oc1cc(C)ccc1Cl)c1ccc(-n2ccnc2)cc1 20357251 ZBPBRDBXANKZEV-DTVDJLOLSA-N 396.878 4.142 50 50 GIGA COc1cccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c1 1002429 YPAVHVSMPLLKCN-OAQYLSRUSA-N 389.430 4.139 50 50 GIGA COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Br 1214188 QLYMGAOFKQAGCQ-NTUHNPAUSA-N 389.205 4.439 50 50 GIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1ccc(O)cc1 4209944 PRYLGIIMMUQBHT-YDZHTSKRSA-N 394.814 4.029 50 50 GIGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1n[nH]c2c1CCc1ccccc1-2 5125860 UKAGPLLIJQJCBK-LSHDLFTRSA-N 385.254 4.246 50 50 GIGA CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 5736385 DROOQPJZCUNDOW-LFVJCYFKSA-N 394.519 4.019 50 50 GIGA CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)Nc1cccc(Cl)c1 1071407 GNMNLLRGKMFZNW-ZDUSSCGKSA-N 375.856 4.085 50 50 GIGA CCOc1ccc(OCC)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 1103325 RKQFZGZGSUIDBG-UTKZUKDTSA-N 388.471 4.078 50 50 GIGA Cc1cc(C)c(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c(C)c1 2080942 SMDSEZFIUOQWQE-UGVMZYNRSA-N 389.293 4.292 50 50 GIGA CCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2CC)cc1 12411249 JZDFOBWICQTSBL-HYARGMPZSA-N 396.516 4.087 50 50 GIGA CCOc1ccccc1/C=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2 1469454 IMECBCDWKMNEJM-KOEQRZSOSA-N 389.499 4.459 50 50 GIGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1cccc(O)c1 5353920 DKFACYZQEASTKO-AFUMVMLFSA-N 396.450 4.188 50 50 GIGA COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)c1 227262842 JCPFIUFXGRGHTH-TYBUUNOOSA-N 380.444 4.010 50 50 GIGA COc1cc(CN(Cc2ccc(Cl)cc2)C(=O)CCl)cc(OC)c1OC 2325894975 DPMMNECVPBQGHF-UHFFFAOYSA-N 398.286 4.133 50 50 GIGA CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 17079061 ZTNVSKHCRBWQPY-LFIBNONCSA-N 387.399 4.093 50 50 GIGA Cc1ccc(C(=O)C[C@@H](C(=O)O)P(=O)(c2ccccc2)c2ccccc2)cc1 17337656 DCKXPWCUCJLFEJ-QFIPXVFZSA-N 392.391 4.035 50 50 GIGA