smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H](Cl)C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 1875363824 AYMDOGYYKUYRGF-LBPRGKRZSA-N 368.890 2.502 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC 1228365 AWOQUWCESZKWQO-HNNXBMFYSA-N 358.394 2.739 50 50 FFGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 2383764 RZDCOQQWOAGWST-UFFVCSGVSA-N 365.311 2.803 50 50 FFGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1cccc(C)c1C 5711278 ADUCLXWQAUMDHN-XSFVSMFZSA-N 351.410 2.619 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)cc1 1058919 GRKMLBMFRLNAGW-BUESGFEBSA-N 372.450 2.511 50 50 FFGA CCOc1ccccc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CCC2 1080061 KAFOFPAACXAPNS-SFHVURJKSA-N 352.438 2.662 50 50 FFGA N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 3402011 QVZVTKGJWKKFND-FMIVXFBMSA-N 361.810 2.533 50 50 FFGA CS(=O)(=O)/C(C#N)=C/c1cnc(N2CCC(C(F)(F)F)CC2)s1 263640030 UHWCJBMPHJTXCY-IZZDOVSWSA-N 365.402 2.831 50 50 FFGA COC1(C(=O)NCCSSCCC(=O)O)CCC(C(F)F)CC1 1875388596 HZJXBSKFSLJRRD-UHFFFAOYSA-N 371.471 2.799 50 50 FFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OC 4311933 DBNFMPUTACUJFJ-AWEZNQCLSA-N 354.410 2.943 50 50 FFGA CCc1cc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cs1 2755101 SSVPJEFPMOCCSS-KBPBESRZSA-N 350.440 2.519 50 50 FFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2cc1O 726734 YMIGQHVYPHQACE-VXLYETTFSA-N 351.318 2.923 50 50 FFGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C)cc2)cc1 2553474 GVYXADQNHIRDFV-LPYMAVHISA-N 353.422 2.664 50 50 FFGA CCc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 22932927 AIHLTYAITULZAN-XQNSMLJCSA-N 364.493 2.517 50 50 FFGA Cc1ccc(N2C(=O)[C@H]3[C@@H](SC(N)=C(C#N)[C@@H]3c3ccco3)C2=O)cc1 239306007 GHPDSTAHLAOERL-BZUAXINKSA-N 365.414 2.671 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)cc1OC 2686201 MLAVBYXSAZSNOT-HYLGSWLWSA-N 366.421 2.840 50 50 FFGA CCOc1ccccc1NC(=O)NNC(=O)COc1cccc(C)c1C 1118413 CILFNAWBEJXCMN-UHFFFAOYSA-N 357.410 2.934 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1OC 17159440 CGFAZIIVGUYUEF-SRZZPIQSSA-N 368.368 2.997 50 50 FFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4347344 WMGJKVBIFACGET-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA C[C@@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CCl 2325890213 HZGPVLHLTUMBDV-SNVBAGLBSA-N 360.683 2.767 50 50 FFGA N#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2[C@@H]1c1cc(F)ccc1F 5130055 UEMBBWKCSUFXOB-CQSZACIVSA-N 351.316 2.968 50 50 FFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1 3008978 HDUVWRIDLLHXNG-VCHYOVAHSA-N 360.211 2.846 50 50 FFGA CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)OCCO1 1195420 CNWLCTPBGLTUQY-KGENOOAVSA-N 354.406 2.869 50 50 FFGA OB(O)c1cccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c1 1857792457 OESBJWJZTPVJDM-UHFFFAOYSA-N 353.190 2.552 50 50 FFGA O=C(CCC(=O)Nc1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1O 16309727 DKJSGZMGSVNAQR-GRSHGNNSSA-N 361.785 2.620 50 50 FFGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccco1 1063906 HDVJJSVOZUJWOG-SRZZPIQSSA-N 365.345 2.666 50 50 FFGA Cc1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 1228165 DSBPRQYPHHLMMI-KEBDBYFISA-N 352.350 2.914 50 50 FFGA NC1=NC(c2ccccc2)=N[C@@]1(NC(=O)c1ccccc1)C(Cl)Cl 2269152 MREZYFCXYZOACD-QGZVFWFLSA-N 361.232 2.734 50 50 FFGA COc1cccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)c1 2387534 XIZYWRLXLYAWSD-CIAFOILYSA-N 363.373 2.643 50 50 FFGA Cc1ccc(OCCOCCOc2ccccc2/C=C(\C#N)C(N)=O)cc1 2966681 ODMCAESJAYHBAI-NBVRZTHBSA-N 366.417 2.862 50 50 FFGA CC1=C(C#N)[C@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N1 5068918 IZVFRVUSNQMCRL-QGZVFWFLSA-N 365.355 2.942 50 50 FFGA C=CCN1C(=O)/C(=N\NC(=O)c2ccc3ccccc3n2)c2ccccc21 5444056 JSGVBVFMTQFUOH-NMWGTECJSA-N 356.385 2.902 50 50 FFGA N#C/C(C(=S)Nc1ccccc1)=C(/N)N1CCN(c2ccccc2)CC1 1392149 SOJHWVMFEQUULR-VHEBQXMUSA-N 363.490 2.942 50 50 FFGA Cc1cc(C(=O)NNC(=S)Nc2ccc(F)cc2F)ccc1[N+](=O)[O-] 1121991 UGQRPDYKJUNJSR-UHFFFAOYSA-N 366.349 2.813 50 50 FFGA COc1cc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)ccc1O 4981973 QUGNBYITWQAXDQ-RGVLZGJSSA-N 350.378 2.863 50 50 FFGA CC1=C(C)C[C@H](C(=O)NNC(=O)c2csc(C)c2C)[C@@H](C(=O)O)C1 4651627 OTXVCCVZJUWJJE-STQMWFEESA-N 350.440 2.573 50 50 FFGA CN1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2ccccc21 5648837 OJSSOYYUAPLVLG-JXAWBTAJSA-N 358.195 2.560 50 50 FFGA CCOC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 2350730 CULVQCMQZDCVRE-OLZOCXBDSA-N 361.379 2.926 50 50 FFGA C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1ccc(OCC(N)=O)cc1 17076108 MYLLOIVYYLHHTC-CIAFOILYSA-N 371.462 2.645 50 50 FFGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 709678 OKPREUAJSKLLKS-CYBMUJFWSA-N 352.394 2.712 50 50 FFGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@H]1c1ccco1)S(=O)(=O)CC2 1429906 DIMGTCRNHQSOAK-MRXNPFEDSA-N 371.393 2.746 50 50 FFGA CC(=O)O[C@H]1[C@@H](Br)[C@@H]2C[C@H]1NC2(C(F)(F)F)C(F)(F)F 36034436 FCKCEYSPFMHAJD-BNHYGAARSA-N 370.087 2.537 50 50 FFGA O=C(NNC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1ccco1 169943667 HBRFMMISEIKKJH-UHFFFAOYSA-N 370.386 2.854 50 50 FFGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(Cl)c1 4210466 UZKYRCUXPWVYRY-WSDLNYQXSA-N 371.824 2.785 50 50 FFGA N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)C[C@@H]1c1ccccc1 709908 SKWHBOSBPBZVDA-GFCCVEGCSA-N 370.459 2.854 50 50 FFGA CCn1cc(C(=O)NNc2nccnc2C2CCC2)c(C(F)(F)F)n1 287207517 NLQPGAFHWMPGFC-UHFFFAOYSA-N 354.336 2.736 50 50 FFGA COc1cc(NC(=S)NNC(=O)CCc2ccccc2)cc(OC)c1 6397701 OJHRSNGGLHGNJG-UHFFFAOYSA-N 359.451 2.654 50 50 FFGA Cn1cc(C(=O)N/N=C/C=C(\Br)c2ccccc2)ccc1=O 2896835 SDLRKHBGQRIQKZ-XYZJYNETSA-N 360.211 2.537 50 50 FFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc1OC 1062030 BBONWWGRAGFHFS-LLVKDONJSA-N 366.299 2.664 50 50 FFGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1C[C@H]1c1ccccc1 4956644 LZSWPWDGFAPBDI-RELIOFMUSA-N 353.334 2.577 50 50 FFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(Cl)cc1Cl 1427933 XMQOLXQQWZGEKD-CYBMUJFWSA-N 365.172 2.657 50 50 FFGA CN(C)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1 1195875 PPUHUSCGXXVWIA-PXLXIMEGSA-N 363.417 2.732 50 50 FFGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccc(O)cc2oc1=O 4754299 FOBDRWDOZBDPFA-VXLYETTFSA-N 367.317 2.561 50 50 FFGA biogenic COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)c1 4927997 AMUGCLFZUPBBIC-VCHYOVAHSA-N 356.407 2.919 50 50 FFGA Cn1nnc2ccc(NC(=O)CCCC[C@H]3CCSS3)cc2c1=O 218384991 RKQYMXKVCAZVLR-LBPRGKRZSA-N 364.496 2.981 50 50 FFGA O=C(N/N=C/c1ccccc1Cl)C(=O)N/N=C/c1ccccc1Cl 1684454 PSIWOLQLWQMIME-LQGKIZFRSA-N 363.204 2.594 50 50 FFGA CCn1c(SCC(=O)N/N=C/c2cccnc2)nnc1-c1ccccc1 2318601 CXGOHSSLHJSYQH-UDWIEESQSA-N 366.450 2.602 50 50 FFGA O=C(O)[C@@H](Br)[C@H](Br)c1ccccc1[N+](=O)[O-] 1557412 ZZBGCCIQPYEBFF-SFYZADRCSA-N 352.966 2.879 50 50 FFGA in-vitro O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(Br)cc1 35337197 LJVLIDRYOZCHIP-PXNMLYILSA-N 364.155 2.827 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1cccc([N+](=O)[O-])c1 5593553 ZXQNDSHWFDFODC-AWEZNQCLSA-N 360.333 2.598 50 50 FFGA CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 9014625 ZOIKNJRUNLCREV-CQSZACIVSA-N 361.442 2.766 50 50 FFGA O=C(COc1ccc2c(c1)CCCC2)NNC(=S)Nc1ccccc1 45068464 LDQHUFCTQNYIMZ-UHFFFAOYSA-N 355.463 2.962 50 50 FFGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2c(O)ccc3ccccc23)c1 4210254 HXPCRWVQXUJILJ-FSJBWODESA-N 361.401 2.734 50 50 FFGA CC(C)(C)OC(=O)N1C[C@H](CI)OCC12CCC2 1772717612 QAQGYRHHTRGOTI-JTQLQIEISA-N 367.227 2.980 50 50 FFGA COCCCNC(=O)/C(C#N)=C\c1ccc(OC)c(Br)c1 211612361 WGYNDGBLJRMDGB-WQLSENKSSA-N 353.216 2.517 50 50 FFGA Cc1ncc(C(=O)NCCSSCCC(=O)O)n1-c1ccccc1 1875388546 GCJOSXUABLWWIY-UHFFFAOYSA-N 365.480 2.767 50 50 FFGA CCCc1n[nH]c2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 4592529 UYUNBALQRCFOJG-HNNXBMFYSA-N 370.409 2.606 50 50 FFGA CCOC(=O)[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])o1 6758338 FSVYWPLKNUMDGN-SFYZADRCSA-N 370.981 2.950 50 50 FFGA COC(=O)c1ccccc1NC(=O)c1cc2ncc(CCCl)cn2n1 652339 GDYHXROEVIURLP-UHFFFAOYSA-N 358.785 2.550 50 50 FFGA Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17073156 XKTFFMWIODJWPQ-LSDHHAIUSA-N 353.378 2.680 50 50 FFGA C/C(=N\NC(=O)Cn1nnc2ccccc21)c1cccc(Br)c1 5620939 SKDDFDZHWTUFOA-WOJGMQOQSA-N 372.226 2.734 50 50 FFGA COc1ccc([C@H](Br)[C@@H](Br)C(=O)O)cc1OC 2164036 ZUYVAEFYQVUCEP-VHSXEESVSA-N 368.021 2.988 50 50 FFGA CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc(C)n[nH]1 30952381 UQINBHFXFJKMKT-PXNMLYILSA-N 351.204 2.643 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@]12C(=O)Nc1ccccc12 718475 ZWEALYKPYRAZHC-FQEVSTJZSA-N 373.347 2.540 50 50 FFGA C/C(=N\NC(=O)c1c(Cl)cnn1C)c1cccc(NC(=O)C(C)C)c1 685886 ILZZDOHQUFPONV-SRZZPIQSSA-N 361.833 2.822 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]n2)cc1 3903261 NXVHGGXYICDTQN-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 2491240 ISSZTJCTUSRVPO-QGZVFWFLSA-N 356.378 2.515 50 50 FFGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccc(F)c2)sc2c1CCCC2 4229753 VENZIKGCJPQFDX-UFFVCSGVSA-N 370.409 2.726 50 50 FFGA N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@H]1c1ccco1 9014475 KWCVBWUSCSIYCV-CYBMUJFWSA-N 359.451 2.800 50 50 FFGA C[C@@H](C(=O)N/N=c1/sc2ccccc2n1C)n1ccc(C(F)(F)F)n1 1875331910 ZDGKLRJHSTZQJJ-SPXNPFMZSA-N 369.372 2.648 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccncc1 1218228 KAWJNAVIHGGEHF-AWEZNQCLSA-N 360.333 2.598 50 50 FFGA COc1ccccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12 2387533 JCELLMVCVVLQTF-CIAFOILYSA-N 363.373 2.643 50 50 FFGA O=C(NNc1ccc(-c2ccccc2)cc1)[C@@H]1C[C@@H]2C[C@H](C1)C[C@@H](O)[C@H]2O 2325805603 VRNKKUBRITUFMA-WTPJZNEYSA-N 366.461 2.955 50 50 FFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cc(Br)ccc1O 1205578 NPLUAEAFAUZXBQ-CAOOACKPSA-N 365.231 2.578 50 50 FFGA Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1n[nH]c2c1CCCC2 19800021 CYCFNASYCRTVJE-MTJSOVHGSA-N 362.437 2.855 50 50 FFGA C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCC)cc2)cc1 3061717 NZFOTKMQJLEGAX-KGENOOAVSA-N 367.405 2.739 50 50 FFGA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1ccc([N+](=O)[O-])cc1 2030378 QCLCPFXPLVJTLB-SFHVURJKSA-N 367.361 2.729 50 50 FFGA in-vitro CCCCC(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 2872338 IKWFPNYZGIDRLE-UHFFFAOYSA-N 372.288 2.583 50 50 FFGA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(Cl)Cl 1150809 SPNQRABVSVCAAQ-UHFFFAOYSA-N 366.251 2.686 50 50 FFGA CCc1c(C(=O)NNC(=O)Nc2ccccc2C(=O)OC)csc1C 2855927 PIIPUNLGHJSILM-UHFFFAOYSA-N 361.423 2.872 50 50 FFGA Cc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 32573529 ZJKNLKHETHNNFW-LSCVHKIXSA-N 353.338 2.505 50 50 FFGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1sccc1C)[C@H]2C(=O)O 102043511 FCUZTBBHXJMZQL-OXHZDVMGSA-N 362.451 2.511 50 50 FFGA O=C(NNC(=S)NCc1ccco1)c1cc(Cl)c(O)c(Cl)c1 2853001 PENZCYMOLCOJKW-UHFFFAOYSA-N 360.222 2.601 50 50 FFGA NC1=NC(c2ccccc2)=N[C@]1(NC(=O)c1ccccc1)C(Cl)Cl 2269153 MREZYFCXYZOACD-KRWDZBQOSA-N 361.232 2.734 50 50 FFGA C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccnn2C)cc1 5881747 RIILRIGHQYMPDW-UUYOSTAYSA-N 365.393 2.728 50 50 FFGA Cc1cccc(C2(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)CCCC2)c1 726771322 LIEQXJVNITXNOI-LJQANCHMSA-N 364.445 2.958 50 50 FFGA CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nc2ccccc21 1194712 ZEHSTKOQXMIGTO-VXLYETTFSA-N 370.434 2.710 50 50 FFGA CCOc1ccccc1NC(=O)NNC(=O)CCc1ccc(OC)cc1 7066648 VXJUGAUHWQYXME-UHFFFAOYSA-N 357.410 2.879 50 50 FFGA N#CC1=C(N)NC(SCC(=O)Nc2ccccc2)=C(C#N)C12CCCC2 1234808 LYVFFJVPTPITCD-UHFFFAOYSA-N 365.462 2.951 50 50 FFGA C=CCOc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 4383787 KKUIZSGMROTLRZ-UXHICEINSA-N 371.444 2.607 50 50 FFGA C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(O)cc1 39943629 IRHSBMVLKQJXRY-YBFXNURJSA-N 365.349 2.845 50 50 FFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 1812806 MVHFYQLFOQXQHS-HNNXBMFYSA-N 361.313 2.919 50 50 FFGA O=C(NNC(=O)[C@H](O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 2154805 BXNIRMABLWYLCD-CYBMUJFWSA-N 354.193 2.880 50 50 FFGA O=C(Cc1ccccc1Cl)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 5589406 AFSKGRMEILLGPN-UHFFFAOYSA-N 364.814 2.809 50 50 FFGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)[C@@H](C#N)C12CCCC2 8973590 JMFDYDJFCJEBIT-CQSZACIVSA-N 366.446 2.923 50 50 FFGA Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NN)cc3N2)cc1C 1069024 XUSNXVXTMCSOAW-YPMHNXCESA-N 353.348 2.764 50 50 FFGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 4210218 BEUCIASJEZYFAG-YBFXNURJSA-N 365.418 2.602 50 50 FFGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C1\CCOc2ccccc21 17143520 ZWHUIZJBNYXYOH-PGSLAOOBSA-N 355.350 2.665 50 50 FFGA CN1CCC(=NNC(=O)CSCc2cccc(Br)c2)CC1 16133902 XKWOSRILVHPWLN-UHFFFAOYSA-N 370.316 2.880 50 50 FFGA COC1(c2noc(CC3CCN(C(=O)[C@H](C)Cl)CC3)n2)CCCC1 1875366081 JXDHVJHCWFVNFE-LBPRGKRZSA-N 355.866 2.894 50 50 FFGA N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccco1 100165566 OCQCPHDQYKDGCN-ZNMIVQPWSA-N 369.377 2.501 50 50 FFGA CCc1ccc([C@H]2C(C#N)=C(SCC(N)=O)NC(C)=C2C(C)=O)cc1 19759246 NQIXHHLAHWJGTJ-SFHVURJKSA-N 355.463 2.752 50 50 FFGA CCOc1cc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)ccc1O 2686198 CGOJXSWPRQLNCQ-DACUGSJHSA-N 366.421 2.927 50 50 FFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)c1 2898649 RCPGZVMFMBIXDP-FYJGNVAPSA-N 351.406 2.957 50 50 FFGA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1CBr 1772575862 YYLSEYSCBJTUIV-UHFFFAOYSA-N 355.037 2.667 50 50 FFGA CCOC(=O)COc1c(Br)cc(C=C(C#N)C#N)cc1OC 2750744 NURDATQIONPPSG-UHFFFAOYSA-N 365.183 2.830 50 50 FFGA C[C@H]1Cc2ccc(c3c2C(=O)OC3=O)CCc2ccc1c1c2C(=O)OC1=O 101013470 FTPQORRFCWPKHF-VIFPVBQESA-N 362.337 2.753 50 50 FFGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1sccc1C 229918719 FCUZTBBHXJMZQL-MHDGFBEUSA-N 362.451 2.511 50 50 FFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3)[C@H]2C1 1022466 ZMTLCAPZKNXEDU-OALUTQOASA-N 361.424 2.959 50 50 FFGA C[C@@H]1CCc2c(C(=O)NNC(=O)CC(C)(C)CC(=O)O)csc2C1 6764111 JDIBAVNPMPRGCN-SNVBAGLBSA-N 352.456 2.525 50 50 FFGA Cc1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1C 239231238 VEPIMNVKKALHAX-NCPBCQDQSA-N 364.239 2.813 50 50 FFGA COc1cc([C@@H]2O[C@H]2C(=O)c2ccc(OO)cc2)c(OC)c2c1OCO2 253470506 ADUGDSIHXNPKIL-RDJZCZTQSA-N 360.318 2.607 50 50 FFGA O=C(NNC(=S)NCc1ccco1)c1ccc(OC2CCCC2)cc1 2856846 HZNPVGHCVOEPPF-UHFFFAOYSA-N 359.451 2.910 50 50 FFGA O=C(NNC(=O)c1cccc2cccnc12)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 772629694 MCVVCZCXUONRGY-XKGZKEIXSA-N 372.428 2.907 50 50 FFGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1 1190201 OCOUYSKDKOLBHN-UDWIEESQSA-N 350.378 2.945 50 50 FFGA O=C(O)COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 4282637 FKLDXVXODZXOBG-LPYMAVHISA-N 362.385 2.996 50 50 FFGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)c1O 4360086 XESPWAXQGGVAKP-FYJGNVAPSA-N 351.406 2.772 50 50 FFGA CCOc1cc(Cl)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1O 1217802 BSMAFQFIIYEVTP-UFWORHAWSA-N 362.769 2.937 50 50 FFGA O=C(NNC(=O)c1ccc2ccccc2n1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 246335482 LJZOJYZAQFTCBS-NSISKUIASA-N 372.428 2.907 50 50 FFGA O=C(NNC(=O)C1(c2ccc(F)cc2)CCCC1)[C@H]1Cc2ccccc2O1 132593633 BRROKESOONSLTH-GOSISDBHSA-N 368.408 2.789 50 50 FFGA O=C(COc1ccc2ccccc2c1)NNc1nc(-c2ccncc2)no1 361956287 IFZSCESZSXDGHG-UHFFFAOYSA-N 361.361 2.807 50 50 FFGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1C[C@@H]1c1ccccc1 1233821 LZSWPWDGFAPBDI-GLPWQNBLSA-N 353.334 2.577 50 50 FFGA CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1 972482 OXCJGZZECANFEH-UDWIEESQSA-N 367.478 2.882 50 50 FFGA Cc1cccc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2O)c1 4973904 GSHDYJCWPZIWAZ-MTJSOVHGSA-N 364.405 2.724 50 50 FFGA O=C(O)c1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2 5318957 CIRXSOCRISOTMN-SRZZPIQSSA-N 360.373 2.637 50 50 FFGA N#CC1=C(SCC(=O)NC2CC2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 2694774 KGGUDPFVITZEKY-QGZVFWFLSA-N 369.446 2.720 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(O)cc3)[nH]n2)cc1 4482720 HSJDWHLHHRKIKI-UDWIEESQSA-N 350.378 2.945 50 50 FFGA CN(C)NC(=O)[C@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4750967 RDVACZXXJHWOFD-CARYKQCGSA-N 355.482 2.594 50 50 FFGA C/C(=N\NC(=O)CCC(=O)Nc1ccccc1C)c1ccc(O)cc1O 4989624 LPNJNYHPBYLVOG-FYJGNVAPSA-N 355.394 2.665 50 50 FFGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1Br 5129798 LUYVUSJQGINFAB-DJKKODMXSA-N 357.211 2.949 50 50 FFGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 660034 VBIXZKWTYTWWLI-MRXNPFEDSA-N 368.389 2.875 50 50 FFGA biogenic,in-vitro CCCc1ccc(OCC(=O)NNC(=O)CCOc2ccccc2)cc1 1808100 CJCICYCLAIZUDT-UHFFFAOYSA-N 356.422 2.634 50 50 FFGA O=C(CNC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1ccco1 1753926 KNLVWDBPRWGNMV-DNTJNYDQSA-N 354.288 2.570 50 50 FFGA CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OCC 1472195 NZZCWYPSGMXMDD-MRXNPFEDSA-N 368.389 2.964 50 50 FFGA CC(=NNC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 245239340 HYXBHTJXSCGDPQ-UHFFFAOYSA-N 354.366 2.854 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(NC(C)=O)cc1 752598 PBEPVECQKHVZAT-MRXNPFEDSA-N 355.394 2.680 50 50 FFGA O=S(=O)(N[C@H](CBr)Cc1ccccc1)c1ccccc1 3137047 PDGDGVSBIOFJFU-AWEZNQCLSA-N 354.269 2.971 50 50 FFGA N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@@H]1c1ccco1 9014476 KWCVBWUSCSIYCV-ZDUSSCGKSA-N 359.451 2.800 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(O)c1 1095641 XYDVQLPFCJTPJK-XDHOZWIPSA-N 356.382 2.911 50 50 FFGA COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1O 3526681 ZKGWXFKEAVXCKA-CAOOACKPSA-N 365.183 2.633 50 50 FFGA CCC(CC)n1ccc(C(=O)N2CC[C@@H](C)[C@@H](CNC(=O)CCl)C2)n1 1875383618 ASYWIMPTZIUQGE-KGLIPLIRSA-N 368.909 2.697 50 50 FFGA N#CC1=C(SCC(=O)NC2CC2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 2694776 KGGUDPFVITZEKY-KRWDZBQOSA-N 369.446 2.720 50 50 FFGA N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(O)cc2)CC1 170654247 BUMVESOJHHWNFV-DJKKODMXSA-N 350.378 2.987 50 50 FFGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)cc1 4292730 ANMNGIUQLPQODA-SRZZPIQSSA-N 359.813 2.619 50 50 FFGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@]12C(=O)Nc1ccccc12 1428610 VIBOGWJHVKNHGN-HXUWFJFHSA-N 373.393 2.586 50 50 FFGA Cn1cc(C(=O)NNC(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)cn1 170653278 RDIPEUXIBFPAOG-UHFFFAOYSA-N 367.236 2.610 50 50 FFGA C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 229865910 FLVIPETUBIXORZ-JFNRVDGVSA-N 369.465 2.992 50 50 FFGA Cc1cccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)NN)c1 1212124 RRXMFCSEFNZFSV-XNTDXEJSSA-N 374.238 2.518 50 50 FFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)c(OC)c1OC 822989 OUUZFLSIDLGBDH-QLJPJBMISA-N 370.405 2.773 50 50 FFGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1OC 822993 SQVQEPYBUYDLRQ-MLCYQJTMSA-N 370.405 2.773 50 50 FFGA COc1ccc([C@@H](Br)[C@@H](Br)C(=O)O)cc1OC 2164038 ZUYVAEFYQVUCEP-NXEZZACHSA-N 368.021 2.988 50 50 FFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1 4260578 AELJCEKOUGZCCD-UDWIEESQSA-N 357.797 2.994 50 50 FFGA O=C(NNc1cccnn1)c1nc(-c2cccs2)n(-c2ccccc2)n1 172367846 BHGXZAFQFZTAAE-UHFFFAOYSA-N 363.406 2.543 50 50 FFGA COc1ccccc1[C@@H]1[C@@H](C(=O)C2CC2)N2C=C(C#N)C=C[C@H]2C1(C#N)C#N 239235311 VTGZRMNOOGIDGF-ZCNNSNEGSA-N 370.412 2.822 50 50 FFGA Cc1nn(C)cc1NC(=S)NNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 2795361 APCMHANTOFUFMZ-CHWSQXEVSA-N 363.874 2.503 50 50 FFGA O=C(N/N=C/c1ccc(O)cc1)c1ccccc1I 1229910 OQYIZXRSEPZKIX-CXUHLZMHSA-N 366.158 2.761 50 50 FFGA COc1ccc(NCCCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 2996091 LZYKFCONIOTJGT-FYJGNVAPSA-N 357.410 2.752 50 50 FFGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CCc1c(C)n[nH]c1C 838058 DLIHYRMKMZCKSU-CIAFOILYSA-N 364.453 2.912 50 50 FFGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 4283126 WGPWXMUWJODMSI-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)[C@H]1COc2ccccc2O1 12343105 PFQKZUJMDVQXRX-GXXCFLRXSA-N 366.373 2.761 50 50 FFGA O=C(Cn1cnc2ccccc21)N/N=C/c1cccc(Br)c1 12560967 JBTGTIWWZGHYFE-DJKKODMXSA-N 357.211 2.949 50 50 FFGA COc1ccccc1C(=O)Nc1c(C(=O)NN)sc2nc(C)cc(C)c12 4708791 YZGBRNDILTXTOA-UHFFFAOYSA-N 370.434 2.778 50 50 FFGA COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 2969064 UCDNXVJXMGKQOQ-FMIVXFBMSA-N 371.349 2.533 50 50 FFGA Cc1ccccc1Cn1cc(NC(=S)NNC(=O)c2ccoc2C)cn1 2798801 UCVVPDVRRPHFAK-UHFFFAOYSA-N 369.450 2.773 50 50 FFGA C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1C[C@@H](O)[C@]2(O)C#N)OCCO3 254596428 VZFYGLAXUCFBQI-MTDDFFLCSA-N 373.493 2.918 50 50 FFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1O 762958 PPUWGWYBDUYYEX-MRXNPFEDSA-N 362.341 2.725 50 50 FFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1 2491239 ISSZTJCTUSRVPO-KRWDZBQOSA-N 356.378 2.515 50 50 FFGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 946088 YIZWKMQCMIDPAO-VXLYETTFSA-N 353.313 2.888 50 50 FFGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)o1 4993098 YWZYORFIODBUTM-OAHLLOKOSA-N 362.345 2.925 50 50 FFGA C[C@H](Cl)C(=O)N[C@@H]1CCC2(C[C@H]1OCc1ccccc1)OCCO2 1875380354 MHPODGMWFQVVHA-NUEKZKHPSA-N 353.846 2.611 50 50 FFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c(OC)c1 9067850 XWXMVZOYCQWCDF-AWEZNQCLSA-N 354.410 2.943 50 50 FFGA Cc1nc(N2CCOCC2)sc1C(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1875390456 CPNXPBSVGVVGGE-WFADCGHUSA-N 374.510 2.830 50 50 FFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@H]2I)[N@]31 1857524892 DTKNYSHMNMVGAO-AIPFVVIYSA-N 357.035 2.740 50 50 FFGA O=C(CSc1nc2ccccc2[nH]1)NNC(=S)Nc1ccccc1 1565187 HZFIVEZQXYBDQZ-UHFFFAOYSA-N 357.464 2.673 50 50 FFGA COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(OC)c2)cc1 5059103 QKQZPKRFKDYVAE-JYRVWZFOSA-N 354.362 2.964 50 50 FFGA CC1=C(C(=O)OCCCBr)[C@@H](c2ccccc2)NC(=O)N1 4065389 PVBPUWBDTWUDLA-CYBMUJFWSA-N 353.216 2.643 50 50 FFGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)c1O 5446361 YILDJWFQADAOIL-GIJQJNRQSA-N 356.407 2.925 50 50 FFGA COc1ccc([C@@H]2[C@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 253387584 QAWCSHGMVQKVTE-PPRPKMEESA-N 371.444 2.581 50 50 FFGA O=C(N/N=c1\sc2ccccc2n1Cc1ccccc1)C1CCNCC1 5572164 CEJIJOVZNMAICW-ATJXCDBQSA-N 366.490 2.683 50 50 FFGA C=CCOc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 2055533 MWMFPZZXWQEIMK-HBBMIWKISA-N 351.406 2.579 50 50 FFGA Cc1cc2c(c(=O)o1)[C@H](c1ccccc1Br)C(C#N)=C(N)O2 2300595 PDVZHJMQEVEPOR-CYBMUJFWSA-N 359.179 2.929 50 50 FFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)c1 4259544 CQZRPFCUPDITFJ-VCHYOVAHSA-N 360.211 2.846 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1OC 1050694 YHYYIHKLHOEONE-UDWIEESQSA-N 350.378 2.858 50 50 FFGA COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 5050726 ISKPTXHKIOZOLH-SDQBBNPISA-N 367.317 2.878 50 50 FFGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)o1 4993099 YWZYORFIODBUTM-HNNXBMFYSA-N 362.345 2.925 50 50 FFGA Cc1ccc(S(=O)(=O)N2C=C[C@@H]3C(=O)[C@H](Br)CC[C@@H]32)cc1 13399776 BHBKROHWTGHOGA-MJBXVCDLSA-N 370.268 2.624 50 50 FFGA Cn1nccc1/C=N\NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl 32578086 JSDSLPKETOFOML-APSNUPSMSA-N 363.786 2.960 50 50 FFGA COc1cc(NC(=S)NNC(=O)c2ccc(C)c(C)c2)cc(OC)c1 1119314 AMQICHDLRRCCFH-UHFFFAOYSA-N 359.451 2.952 50 50 FFGA Cc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)o1 20080711 CAMBTQDLUYYRFB-CIAFOILYSA-N 374.872 2.509 50 50 FFGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Br)cc2)n[nH]1 5126068 DLMFSJGRDBQAHG-VXLYETTFSA-N 370.210 2.998 50 50 FFGA CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)NN)cc12 4859581 KIWCXSRCAQBJBB-UHFFFAOYSA-N 354.362 2.645 50 50 FFGA C=CC(=O)Nc1cccc(C(=O)NNC(=O)c2oc3ccccc3c2C)c1 1875372152 XXXLDEBVTRAGGB-UHFFFAOYSA-N 363.373 2.941 50 50 FFGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(OCc3ccccc3)ccc21 169745380 IQKGFXDPCFAYFP-UHFFFAOYSA-N 367.210 2.683 50 50 FFGA in-vitro COc1ccc(C(=O)NCC(=O)N/N=C/C(C)=C\c2ccccc2)cc1 2543848 CPGIWVFXGGPEQH-GLYKGKQWSA-N 351.406 2.631 50 50 FFGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1Cl 841792 BIADYJIESJHNFE-MRXNPFEDSA-N 361.854 2.843 50 50 FFGA CCCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)c2ccccc21 1420902 QLUMOHBFVQLDDJ-LAJNKCICSA-N 363.417 2.658 50 50 FFGA Cc1ccc(S(=O)(=O)N2C=C[C@@H]3C(=O)[C@@H](Br)CC[C@@H]32)cc1 6214193 BHBKROHWTGHOGA-IHRRRGAJSA-N 370.268 2.624 50 50 FFGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 660032 VBIXZKWTYTWWLI-INIZCTEOSA-N 368.389 2.875 50 50 FFGA biogenic,in-vitro CC(C)(C)c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)[nH]n1 8566490 UUIGZVBYUFNQLE-CAOOACKPSA-N 365.231 2.939 50 50 FFGA CN1CCC(=NNC(=O)CSCc2ccccc2Br)CC1 55433803 BXTGREVKUPLFJN-UHFFFAOYSA-N 370.316 2.880 50 50 FFGA COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc(OC)c1OC 4956444 ZDHPCTUSRCCNID-RUHRPAAUSA-N 354.406 2.966 50 50 FFGA CCOC(=O)c1[nH]nc2c1[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1848444130 ODPGGLNAJAWRGL-CQSZACIVSA-N 352.394 2.928 50 50 FFGA COCCCNC(=S)NNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 13496780 ASGWTNBULYWGIE-HZPDHXFCSA-N 363.527 2.619 50 50 FFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3O)[nH]n2)cc1 1190046 SRFQHVZENNZDOI-RGVLZGJSSA-N 366.377 2.651 50 50 FFGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl 4347277 DFLDGRIOMRLFMI-UDWIEESQSA-N 357.797 2.994 50 50 FFGA CCn1nc(C)c(NC(=O)CBr)c1C(=O)c1ccccc1 71767543 MQWRHVBFSZAZGR-UHFFFAOYSA-N 350.216 2.776 50 50 FFGA N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl 1305952 ZTIMUVCMNJSWRS-SECBINFHSA-N 356.234 2.551 50 50 FFGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(Cl)cc1 4947008 HMYMQHZDDVFBBF-MRXNPFEDSA-N 361.854 2.843 50 50 FFGA CC(C)(C)OC(=O)N1C[C@@H](CI)OC2(CCC2)C1 1772718146 UCDOSHOSLWSXTK-SNVBAGLBSA-N 367.227 2.980 50 50 FFGA COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 842171 ZGINIECHDDTZRM-VCHYOVAHSA-N 363.211 2.987 50 50 FFGA C=CCc1cccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1O 5541513 NPIDYDFWHHAPSO-VXLYETTFSA-N 356.451 2.770 50 50 FFGA C=CCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 12524683 OMLXJUUIPKNWTQ-UHFFFAOYSA-N 363.446 2.592 50 50 FFGA O=C(O)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1 5126165 GOOAYYSYODPLJB-SRZZPIQSSA-N 360.373 2.637 50 50 FFGA CC(C)(C)OC(=O)N1C[C@H](CI)OCC1(C)C 1772717961 MSIRDOLZENEODO-VIFPVBQESA-N 355.216 2.836 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 18144130 UYRQCFYFHSICJP-YBFXNURJSA-N 365.349 2.757 50 50 FFGA C[C@H](c1ccccc1)N1C[C@@H](C(=O)NNc2ccc(F)c(C#N)c2)CC1=O 2325819756 OZWDDSHEQHHJCU-CJNGLKHVSA-N 366.396 2.750 50 50 FFGA CCCCn1c(=O)c(C(=O)N/N=C/c2ccccn2)c(O)c2ccccc21 101123481 QYZSRASFJCMRGD-LPYMAVHISA-N 364.405 2.666 50 50 FFGA O=C(N/N=C/c1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231943 QVXFKLPGKMKTIJ-CPNJWEJPSA-N 369.402 2.844 50 50 FFGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 1226342 XGNILZAGHPBMCK-AOVQIXHVSA-N 361.741 2.538 50 50 FFGA Cc1nnc(SCC(=O)N/N=C/c2ccccc2O)n1-c1ccccc1 1208948 ISEFQPNWHVSREO-YBFXNURJSA-N 367.434 2.524 50 50 FFGA COc1cc(/C=N/NC(=O)Cc2cccs2)cc(Br)c1O 1474986 APQBPPHIJHIFCQ-LZYBPNLTSA-N 369.240 2.918 50 50 FFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CCc3ccccc3)[C@@H]2C1 5408392 YFGUHYWOMGEAEG-WOJBJXKFSA-N 357.461 2.897 50 50 FFGA aggregator O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(F)cc2)n[nH]1 8972751 RYQWXLVTVDAVTN-VXLYETTFSA-N 353.313 2.888 50 50 FFGA CCn1nc(C(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c2ccccc2c1=O 1875390416 SLSZQDXALWACFS-VVVXVRGTSA-N 364.449 2.958 50 50 FFGA COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1O 731260 QRLMFNJEWMJHOW-CAOOACKPSA-N 365.183 2.633 50 50 FFGA CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(SC#N)cc2)cc1 1141115 PNIBGMZSGUKXEC-UHFFFAOYSA-N 361.448 2.762 50 50 FFGA CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 2860077 LWJSIFWPYSSHAW-UHFFFAOYSA-N 367.449 2.946 50 50 FFGA CC(C)(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 2885097 ZMIULHYUSUITAX-UHFFFAOYSA-N 369.490 2.887 50 50 FFGA O=C(NNC(=O)C1(c2ccccc2F)CCCC1)[C@H]1Cc2ccccc2O1 748277761 VVRCTZMODGXXSB-GOSISDBHSA-N 368.408 2.789 50 50 FFGA Cc1ccc2c(c1Br)/C(=N/NC(=O)[C@@H]1CC13CCC3)C(=O)N2 17953050 IRBNBJJFZLGFNR-VIFPVBQESA-N 362.227 2.720 50 50 FFGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2553038 GYMOLDDDIPDQPW-FSJBWODESA-N 361.401 2.734 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cc(OC)ccc1OC 729236 DSVMOENBTNKAQA-MRXNPFEDSA-N 358.394 2.739 50 50 FFGA N#Cc1ccccc1OCC(=O)N/N=C/c1cccc(Br)c1 1234809 AIRZLVCQJXXBMG-VXLYETTFSA-N 358.195 2.850 50 50 FFGA CCOC(=O)[C@H](Br)CCC[C@@H](Br)C(=O)OCC 1688335 SPJSPERKKWTTBF-RKDXNWHRSA-N 374.069 2.810 50 50 FFGA in-vitro COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1 709679 OKPREUAJSKLLKS-ZDUSSCGKSA-N 352.394 2.712 50 50 FFGA C/C(=N\NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(O)cc1O 43761344 MUXMZIWABXKYNB-FYJGNVAPSA-N 354.406 2.896 50 50 FFGA CCOC(=O)[C@]1(F)CN(Cc2ccccc2)C[C@@]1(F)CBr 261509060 ZLUQUKXGDRXZNC-LSDHHAIUSA-N 362.214 2.877 50 50 FFGA O=C1C[C@H](N(Cc2ccccc2)C(=O)CCl)C(=O)N1c1ccccc1 217040054 KHABPCYGZDILDA-INIZCTEOSA-N 356.809 2.586 50 50 FFGA O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)c1ccncc1 5649957 FOUYPZHFCBIDCI-GFMRDNFCSA-N 370.412 2.805 50 50 FFGA Cc1nn(C)c(C(=O)N/N=C/c2ccc(Br)cc2)c1Cl 659764 LUMDVPAHTLJBOU-FRKPEAEDSA-N 355.623 2.908 50 50 FFGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C1\CCOc2ccccc21 39959533 HOAQDYIQQYNBGB-OHEASWGXSA-N 355.350 2.665 50 50 FFGA COc1ccc2cc(/C=N/NC(=O)CN3CCCCC3)c(Cl)nc2c1 1090084 XORJKWVPIGGUGH-RGVLZGJSSA-N 360.845 2.833 50 50 FFGA C[C@H](NC(=O)C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1 2903623 MAEPTYNSAHWIMW-MKFNJMOCSA-N 374.238 2.777 50 50 FFGA O=C(NNC(=S)NCc1ccccc1)c1cc2ccccc2cc1O 1058334 SFRUUOXPAHEPHP-UHFFFAOYSA-N 351.431 2.855 50 50 FFGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@H]1CC12CCC2 13477639 RXWAWIDVEQWXEF-SNVBAGLBSA-N 362.227 2.720 50 50 FFGA CCCc1cc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cs1 2737997 APWUQIHXGASFMI-CABCVRRESA-N 364.467 2.909 50 50 FFGA Cc1ccc(/C=N/NC(=O)c2ccccc2I)o1 1229917 CDGDAXUIIUMJMH-OVCLIPMQSA-N 354.147 2.957 50 50 FFGA O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccco1 2896527 KGCRECCJSSBCMZ-OEAKJJBVSA-N 361.401 2.678 50 50 FFGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 2520047 HQWHBOMEPOISRX-UDWIEESQSA-N 356.378 2.703 50 50 FFGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2OC)cc1 2531584 HQDNRDKOTMJEJG-CIAFOILYSA-N 371.393 2.705 50 50 FFGA COc1ccc(/C=N/NC(=O)c2c[nH]nc2-c2cccs2)c(OC)c1 6294816 WZVMJBIMZYHHGM-GIJQJNRQSA-N 356.407 2.919 50 50 FFGA Cc1cc2ccccc2nc1NNC(=O)Cc1nnc(O)c2ccccc12 777481982 PYQPBEPWUDCYPS-UHFFFAOYSA-N 359.389 2.878 50 50 FFGA C[C@H](Cl)C(=O)N[C@H]1CCC2(C[C@@H]1OCc1ccccc1)OCCO2 1875380351 MHPODGMWFQVVHA-BPUTZDHNSA-N 353.846 2.611 50 50 FFGA O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1 4825558 DOTYTZDJJVDMRN-UHFFFAOYSA-N 365.798 2.802 50 50 FFGA O=C(NNC(=O)c1cccc2cccnc12)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 772629696 MCVVCZCXUONRGY-YVWKXTFCSA-N 372.428 2.907 50 50 FFGA N#CC(C#N)=C/C(C#N)=C(\N)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 100424089 KKFVNYYNPWYRGF-LGMDPLHJSA-N 373.247 2.783 50 50 FFGA CC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 12384045 KHTZDZOGNKNHMQ-OBGWFSINSA-N 356.338 2.976 50 50 FFGA COc1cccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]n2)c1 5353485 MVIMNFNHIVLYGO-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA COc1ccccc1/C=N/NC(=O)COc1ccc(Br)cc1 842165 YKTAZDGKEXAMPS-VCHYOVAHSA-N 363.211 2.987 50 50 FFGA Cc1ccc2c(c1Br)/C(=N/NC(=O)c1ccccc1)C(=O)N2 5447644 SLVJWKSAAKOWHY-UHFFFAOYSA-N 358.195 2.844 50 50 FFGA CC1=C(C)/C(=N/OS(=O)(=O)c2ccccc2)[C@H](Cl)[C@H](Cl)C1=O 111915147 OYWDQWATOQHBBL-PXDUDJNXSA-N 362.234 2.882 50 50 FFGA C/C(=N\NC(=O)c1cc(O)cc(O)c1)c1cccc(NC(=O)C2CC2)c1 13322314 XXBFBXOJHOZPRS-SRZZPIQSSA-N 353.378 2.600 50 50 FFGA O=C(NNc1ccc(C(F)(F)F)nn1)[C@H]1CC[C@@H](c2ccccc2)O1 377710185 VZMAYPCPKWBDQQ-NWDGAFQWSA-N 352.316 2.859 50 50 FFGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccco1 1229144 DYAHNNQSIHWHBW-ZDUSSCGKSA-N 353.403 2.990 50 50 FFGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2O)cc1 5653162 GYZLMXPEAVITPI-DEDYPNTBSA-N 355.394 2.660 50 50 FFGA COc1cccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)c1 1199808 MUKPQKRGPRCRGO-UHFFFAOYSA-N 356.422 2.833 50 50 FFGA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239105310 IFAQTGVULZCIDC-GRRRKWKPSA-N 370.630 2.850 50 50 FFGA CCN(CC)c1ccc(C(=O)NNC(=S)NCCc2ccccc2)cc1 2853187 OALWCTLFJBOXBW-UHFFFAOYSA-N 370.522 2.884 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1OC 4705512 QDLVSRULPVBIOB-UDWIEESQSA-N 350.378 2.858 50 50 FFGA Cc1ccc(-c2ccc(/C=N/NC(=O)CC3(C)OCCO3)o2)c([N+](=O)[O-])c1 1194404 MXQAASRLTHLWMK-YBFXNURJSA-N 373.365 2.766 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(O)c(OCC)c1 1227921 WFHMHOIXKYGBDF-INIZCTEOSA-N 358.394 2.826 50 50 FFGA CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 1229861 YNMOHWMJJPTIHH-UHFFFAOYSA-N 355.394 2.896 50 50 FFGA C/C(=N\NC(=O)c1ccncc1)c1ccc(NC(=O)c2cccnc2)cc1 6261784 IFYDGCJXPXIRFF-ZVHZXABRSA-N 359.389 2.883 50 50 FFGA N#CC1=C(N)Oc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c2[C@H]1c1ccncc1 5936540 XNAAGHQYNJUVQQ-AWEZNQCLSA-N 360.333 2.598 50 50 FFGA C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)OC)cc1OC 220955795 PDPZTRXLFGNIDY-IZZDOVSWSA-N 350.168 2.550 50 50 FFGA COC(=O)NNC(=S)Nc1sc(-c2ccccc2)cc1C(=O)OC 1121228 XFFGLWSTGITLKG-UHFFFAOYSA-N 365.436 2.759 50 50 FFGA CC(C)(Oc1ccc(F)cc1)C(=O)NCCSSCCC(=O)O 1875388981 XFRRYVNYALKIMC-UHFFFAOYSA-N 361.460 2.955 50 50 FFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc([N+](=O)[O-])ccc1O 36107686 QIWBCXKDSUMZKW-OAHLLOKOSA-N 355.350 2.751 50 50 FFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1Cl 3072799 POZNJJMQGKSDPE-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA O=C(NNC(=O)c1cccc(F)n1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 1469980687 BMOVVODJRRTENC-DOTOQJQBSA-N 364.380 2.874 50 50 FFGA CCOc1ccc([C@@H]2[C@@H]3CN(CC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 5398296 YSWLRXSYQZAMDH-WOJBJXKFSA-N 373.460 2.831 50 50 FFGA O=C(CSc1ccc2ccccc2n1)N/N=C/c1ccc(O)cc1O 1226787 ZDCAZGXXWAJJEL-VXLYETTFSA-N 353.403 2.888 50 50 FFGA COc1ccc(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)c(OC)c1 4955711 TVXGCPGXKFMMAQ-JAIQZWGSSA-N 352.394 2.732 50 50 FFGA CCOC(=O)C1=C(CBr)N(C)C(O)=N[C@H]1c1ccccc1 1065554 QMPAHXHKKWCOIH-ZDUSSCGKSA-N 353.216 2.799 50 50 FFGA Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C/c2ccoc2)c1C#N 6526990 CFFGBNAWEXXGQM-WUXMJOGZSA-N 354.391 2.769 50 50 FFGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c1 4457849 VMQPFZJPJRAPEH-AWEZNQCLSA-N 354.410 2.943 50 50 FFGA O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1ccc(Cn2cccn2)o1 32573614 ZHJRMDPWKORTGE-UWVJOHFNSA-N 372.768 2.670 50 50 FFGA Cc1ccc2c(c1)/C(=N/NC(=O)c1cc3ccccc3nc1C)C(=O)N2C 13476637 ZTABSDIXGRBNOF-NMWGTECJSA-N 358.401 2.962 50 50 FFGA O=C1C[C@@H](N(Cc2ccccc2)C(=O)CCl)C(=O)N1c1ccccc1 217040014 KHABPCYGZDILDA-MRXNPFEDSA-N 356.809 2.586 50 50 FFGA Cc1ccc(C)c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 245310393 ISDLBGMHZQLDRI-ORIIPUBOSA-N 364.239 2.813 50 50 FFGA CC1=C(C#N)[C@@](Nc2ncc(Br)cn2)(C(F)(F)F)C(O)=N1 40286856 JPUFOELDZAUNHB-JTQLQIEISA-N 362.109 2.720 50 50 FFGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c1O 730012 ZCGQUWQDYZFTPO-RGVLZGJSSA-N 350.378 2.863 50 50 FFGA NNC(=O)c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1 1390745 JPNPFHNYFAIFNH-UHFFFAOYSA-N 367.478 2.754 50 50 FFGA COc1ccc(CCC(=O)NNC(=S)Nc2cccc(C(C)=O)c2)cc1 13497012 HJAXRWLKOSLECS-UHFFFAOYSA-N 371.462 2.848 50 50 FFGA CC[C@@H](NC(=O)[C@H](C)Cl)c1ccccc1OCC(=O)N1CCCC1 1875363763 YIALORLPSGCBDA-DZGCQCFKSA-N 352.862 2.882 50 50 FFGA COc1ccccc1CC(=O)NNC(=O)[C@]1(C)CCCc2ccccc21 154739052 SWVUTADWMVAQDB-OAQYLSRUSA-N 352.434 2.679 50 50 FFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCC)cc2)cc1 3061714 UYIBPNLTEAJFTD-DEDYPNTBSA-N 355.394 2.573 50 50 FFGA Cn1cc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c2ccccc21 130042470 MKVCZCJUQOHETM-FFZOFVMBSA-N 374.444 2.851 50 50 FFGA N#C/C(=C/c1cnc2ccccc2n1)C(=O)NCc1ccc2c(c1)OCO2 17073910 UETRHDOKYHUPKS-ZSOIEALJSA-N 358.357 2.582 50 50 FFGA O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 2730193 FVRMKMCTSWPEBH-DLBZAZTESA-N 374.437 2.660 50 50 FFGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1O 2543949 ARZJNXWLGYSROV-MKFNJMOCSA-N 373.365 2.617 50 50 FFGA CCOC(=O)[C@@]1(F)CN(Cc2ccccc2)C[C@@]1(F)CBr 261509058 ZLUQUKXGDRXZNC-GJZGRUSLSA-N 362.214 2.877 50 50 FFGA Cc1ccc(O)c(/C=N/NC(=O)CSc2nc3ccccc3n2C)c1 1196732 QOODRMRPBSEUQX-VXLYETTFSA-N 354.435 2.830 50 50 FFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc3ccccc23)cc1 4296189 SVQDSQXOXFWBJK-YDZHTSKRSA-N 361.401 2.729 50 50 FFGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC 649833 MGAPXHMQKRYIGS-MRXNPFEDSA-N 356.378 2.527 50 50 FFGA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 239306015 GIADFOWGSIJLCB-KJKVDNPUSA-N 350.212 2.505 50 50 FFGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1OC 5317560 ZGWPTHXHPIPOTQ-UDWIEESQSA-N 350.378 2.858 50 50 FFGA COc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)c1O 8683240 DGLXRWSEVVONPC-SRZZPIQSSA-N 362.389 2.653 50 50 FFGA CCc1ccc(C(=O)NNC(=S)Nc2cc(OC)ccc2OC)s1 6519304 CBZVRDLDNKUVIG-UHFFFAOYSA-N 365.480 2.959 50 50 FFGA Cc1ccc(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccccc43)[nH]n2)s1 5093119 CVROBQMPVLHRLC-UHFFFAOYSA-N 351.391 2.533 50 50 FFGA CC(C)Oc1ccc([C@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 20000321 WMELSCAJBYBOTC-UXHICEINSA-N 373.460 2.829 50 50 FFGA CCc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 32625344 HWDCCBUXCADILZ-VYZAVGSRSA-N 365.433 2.761 50 50 FFGA O=C(N/N=C/c1cccc(I)c1)c1ccc(O)cc1 22016980 JHAFNIXTEJLPPN-CXUHLZMHSA-N 366.158 2.761 50 50 FFGA C/C(=N\NC(=O)c1csc(C)c1)c1ccc(NS(C)(=O)=O)cc1 17072943 LBUMKWKHUBHEPA-LFIBNONCSA-N 351.453 2.582 50 50 FFGA COc1cccc(/C=N/NC(=O)COc2ccc(Br)cc2)c1 3166902 LLKCIWRMYXVPLM-VCHYOVAHSA-N 363.211 2.987 50 50 FFGA CC(C)c1noc2ncc(C(=O)NCCSSCCC(=O)O)cc12 1875389041 ZOBGRJAKYUKJAW-UHFFFAOYSA-N 369.468 2.932 50 50 FFGA CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)CCC(=O)O)csc2C1 2113194 UQLRJMPIJLAPPH-SNVBAGLBSA-N 352.456 2.525 50 50 FFGA CC1=Nc2ccc(Br)cc2[C@H](c2ccccc2)N1CC(=O)NN 835862 DDSZTCDLYPIRAN-KRWDZBQOSA-N 373.254 2.894 50 50 FFGA O=C(CSc1nc2ccccc2s1)N/N=C1\C(=O)Nc2ccccc21 5093062 REDSLPOJJOBFLM-UHFFFAOYSA-N 368.443 2.861 50 50 FFGA O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1cccc([N+](=O)[O-])c1 1119093 PDXILSPLEIEIET-UHFFFAOYSA-N 366.333 2.920 50 50 FFGA N#Cc1ccc(NNC(=O)c2ccc(NC(N)=O)cc2)c(C(F)(F)F)c1 799752366 HFVWLJXIORLNME-UHFFFAOYSA-N 363.299 2.825 50 50 FFGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccc(F)cc1 3151053 UUVJAPVZAHQTCR-GIJQJNRQSA-N 364.174 2.677 50 50 FFGA Cc1nn(C)cc1NC(=S)NNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 2795358 APCMHANTOFUFMZ-STQMWFEESA-N 363.874 2.503 50 50 FFGA O=C(NNC(=S)NCc1ccc(F)cc1)c1ccccc1-n1cccc1 5041966 SCRYEHBCXBXOTO-UHFFFAOYSA-N 368.437 2.926 50 50 FFGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC 649832 MGAPXHMQKRYIGS-INIZCTEOSA-N 356.378 2.527 50 50 FFGA Cc1ccc(OCC(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 5587721 FDAKMRRIGCZIEW-UHFFFAOYSA-N 374.422 2.608 50 50 FFGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(Br)cc2)n[nH]1 4980468 STEXDJOFZUPAGZ-VXLYETTFSA-N 370.210 2.998 50 50 FFGA COc1cc(C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)ccc1O 15934458 JBJQLFAMDJRZTD-DNTJNYDQSA-N 372.764 2.925 50 50 FFGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C1\C(=O)N(C)c2ccccc21 5647576 WEFCBOIWSFHYCV-ATJXCDBQSA-N 365.433 2.994 50 50 FFGA CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(OCc3ccccc3)cc21 169743446 OGONSJPAZMVGTG-UHFFFAOYSA-N 367.210 2.683 50 50 FFGA in-vitro C=CCc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 1215498 MZLHLKDKWKDBTF-UDWIEESQSA-N 369.377 2.861 50 50 FFGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccs2)sc2c1CCCC2 4210823 DBWJQJJOMVUIMU-GIJQJNRQSA-N 358.448 2.649 50 50 FFGA O=C(N/N=C/c1ccccc1O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1212022 XLIBHKPWINMMPF-NPNVKNKFSA-N 357.797 2.549 50 50 FFGA CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 9012813 ZOIKNJRUNLCREV-AWEZNQCLSA-N 361.442 2.766 50 50 FFGA CCOC(=O)/C(=N\Nc1ccc(Br)cc1)C(=O)CSC#N 13303271 NVVGTAORJSUPDA-ATVHPVEESA-N 370.228 2.563 50 50 FFGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 1226344 XGNILZAGHPBMCK-RIEVCORGSA-N 361.741 2.538 50 50 FFGA COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H](F)Cl)C2 2325897867 LDRYFKWZEQIBSV-QMMMGPOBSA-N 356.600 2.674 50 50 FFGA CCCc1n[nH]c2c1[C@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 9070107 WBGMIDOEBOZSDI-MRXNPFEDSA-N 370.409 2.606 50 50 FFGA O=C(NNC(=O)C1(c2ccc(F)cc2)CCCC1)[C@@H]1Cc2ccccc2O1 132593845 BRROKESOONSLTH-SFHVURJKSA-N 368.408 2.789 50 50 FFGA COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1O 1475167 RJMUCMZLPBOFRN-VIZOYTHASA-N 355.213 2.989 50 50 FFGA O=C(NNC(=O)C1(c2ccccc2F)CCCC1)[C@@H]1Cc2ccccc2O1 748277762 VVRCTZMODGXXSB-SFHVURJKSA-N 368.408 2.789 50 50 FFGA CC(C)c1c(C(=O)NCCSSCCC(=O)O)nc2n1CCCC2 1875388918 VQYRHAUEHHQGDM-UHFFFAOYSA-N 371.528 2.929 50 50 FFGA O=C(N/N=C/c1c[nH]nc1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 8464243 CUHDYEBWYCZNJD-KEBDBYFISA-N 353.313 2.888 50 50 FFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@H]2C1 4871020 YXDSZISETFFJSC-MAUKXSAKSA-N 365.387 2.710 50 50 FFGA CN1C(=O)/C(=N\NC(=O)c2ccc(Br)cc2)c2ccccc21 100260275 SYCJFXBJQWKIOF-JXAWBTAJSA-N 358.195 2.560 50 50 FFGA Cn1c(SCC(=O)NNC(=S)Nc2ccccc2)nc2ccccc21 1477413 MMTWYCDTCJMFJC-UHFFFAOYSA-N 371.491 2.683 50 50 FFGA Cn1cc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)c2ccccc21 6633147 PPMJFAMNCDYQOU-UHFFFAOYSA-N 368.418 2.538 50 50 FFGA CCc1cc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cs1 7077806 SSVPJEFPMOCCSS-KGLIPLIRSA-N 350.440 2.519 50 50 FFGA Cc1nn(C)cc1NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 2795359 APCMHANTOFUFMZ-QWHCGFSZSA-N 363.874 2.503 50 50 FFGA COc1cccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 1211393 MVANZBAPAPOSMY-GKXUUXLPSA-N 351.406 2.507 50 50 FFGA COc1ccc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(F)cc2)cc1OC 5593385 KRSVNNZLOUDYHT-JJFYIABZSA-N 368.368 2.997 50 50 FFGA COc1ccc([C@H]2[C@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 253387582 QAWCSHGMVQKVTE-FCDRMGDPSA-N 371.444 2.581 50 50 FFGA Cc1c(C(=O)N/N=C/c2coc3ccccc3c2=O)cccc1[N+](=O)[O-] 20295784 WMWVGPVPLXCYRJ-DJKKODMXSA-N 351.318 2.774 50 50 FFGA COCC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)c(OC)c1 32578346 MOQASINUSJWSOI-LVKJFYNQSA-N 354.406 2.884 50 50 FFGA O=C(CSc1ccccc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1088818 PTDSUEDWMJMDSZ-CAOOACKPSA-N 359.363 2.566 50 50 FFGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 13635843 IVFBUBVFLGTTPX-AWQFTUOYSA-N 352.325 2.708 50 50 FFGA CCc1cc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cs1 2755099 SSVPJEFPMOCCSS-UONOGXRCSA-N 350.440 2.519 50 50 FFGA Cc1cc(C(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] 5061027 VTKGUTFGZYLHIR-UHFFFAOYSA-N 372.425 2.816 50 50 FFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1Cl 4231397 WZTDEHJIHRCSDM-RGVLZGJSSA-N 358.829 2.803 50 50 FFGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1 3627436 MRDUBEDIONBAEX-LJQANCHMSA-N 364.449 2.828 50 50 FFGA CCOc1ccc(NC(=S)NNC(=O)c2ccccc2[N+](=O)[O-])cc1 2852839 YLYKOMCCYIWUHE-UHFFFAOYSA-N 360.395 2.625 50 50 FFGA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)c1sccc1C)[C@H]2C(=O)O 102043515 FCUZTBBHXJMZQL-RFHZTLPTSA-N 362.451 2.511 50 50 FFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(Br)c1 1959455 HJMHUNPVZZMEPG-LZYBPNLTSA-N 364.155 2.827 50 50 FFGA O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1cccc2ccccc12 2892417 NATOFFQTIYYKLT-CIAFOILYSA-N 361.357 2.627 50 50 FFGA C[C@H]1CN(CC(=O)NN=C(c2ccccc2)c2ccccc2)C[C@@H](C)O1 12857742 CGMYGPAGIWQBBA-CALCHBBNSA-N 351.450 2.664 50 50 FFGA O=C(NNC(=O)[C@H]1CC(c2cccs2)=NO1)Nc1ccc(Cl)cc1 5769823 KWILAUWFLKINFV-GFCCVEGCSA-N 364.814 2.747 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)c(OC)c1 5402648 PXIOTTPCRKAZBE-UDWIEESQSA-N 350.378 2.858 50 50 FFGA COc1cc2c(cc1OC)[C@H]1C/C(=N/NC(N)=O)[C@@H](CC(C)C)CN1CC2 138722487 UZYMRVUJWGYPGN-ZBBYLCNOSA-N 374.485 2.693 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1OC 1307936 KOJVNIQKLFBYIU-VXLYETTFSA-N 354.366 2.759 50 50 FFGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OCC)cc2)c1O 4261256 NULQYPCRQAXWEH-FYJGNVAPSA-N 367.405 2.608 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccs1 4302768 WMJJIXVANZPBGL-CNHKJKLMSA-N 356.234 2.935 50 50 FFGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1 4327422 VTJXMCZXQCAWJD-SRZZPIQSSA-N 359.813 2.619 50 50 FFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(Cl)c1Cl 1428089 DLOXBTHYOMNVRQ-LBPRGKRZSA-N 365.172 2.657 50 50 FFGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc(Br)c2)c1 5795921 BFLRHGVMVPPLBE-KEBDBYFISA-N 374.238 2.638 50 50 FFGA CC(CCc1ccccc1)=NNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 245241095 XHVXRWCPIUIUDQ-UHFFFAOYSA-N 354.366 2.658 50 50 FFGA COC[C@H](CCl)OC(=O)Cn1c(=O)sc2cccc(Cl)c21 5669857 LYPPTLHZXOKMLV-QMMMGPOBSA-N 350.223 2.513 50 50 FFGA CC[C@H](NC(=O)[C@H](C)Cl)c1ccccc1OCC(=O)N1CCCC1 1875363766 YIALORLPSGCBDA-ZFWWWQNUSA-N 352.862 2.882 50 50 FFGA CCCOc1ccc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc1 6517376 RZIFKPOVNYQVTI-UHFFFAOYSA-N 373.434 2.836 50 50 FFGA COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c(OC)c(OC)c1 6668761 MZLUGYPKQSBGDQ-SFHVURJKSA-N 368.389 2.939 50 50 FFGA COc1ccc(/C(C)=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 1196996 UUMCMXZEEDUDAP-FYJGNVAPSA-N 374.466 2.743 50 50 FFGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Br)c2)cc1 4302935 IPRLMPGGTXAAJN-KEBDBYFISA-N 374.238 2.638 50 50 FFGA [O-][n+]1c2c([n+]([O-])c3ccccc31)[C@H](Br)CC[C@@H]2Br 101172374 QOMQOTQNQHOFRC-OCAPTIKFSA-N 374.032 2.772 50 50 FFGA CCCCc1onc2c1C1(CCN(C(=O)OCC)CC1)C(C#N)=C(N)N2 4751272 OZKFBLIFBVZJLJ-UHFFFAOYSA-N 359.430 2.627 50 50 FFGA COc1cccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)c1 946174 ZIQXPQHXWWZJJG-FYJGNVAPSA-N 363.421 2.915 50 50 FFGA O=C(N/N=C/c1ccccc1Br)C(=O)Nc1ccc(F)cc1 4209785 QQVBOGWTODWWKB-GIJQJNRQSA-N 364.174 2.677 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1OC 5295945 CICMIIUMUCREJE-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@H]1c1ccc(F)c(F)c1 759062 IXZUTOZATZXXCE-AWEZNQCLSA-N 351.316 2.968 50 50 FFGA Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)c1ccccc1 12445813 LLKHRPFBHBYDGY-RGEXLXHISA-N 372.222 2.868 50 50 FFGA COc1cc([C@@H](NC(=O)[C@@H](F)Cl)C(F)(F)F)cc(OC)c1OC 2325898136 UTJLUNJYXVJXLV-GHMZBOCLSA-N 359.703 2.966 50 50 FFGA CNC(=S)NNC(=O)c1cc(-c2ccccc2C)nc2ccccc12 6861258 CPZFFGYJTJYAKR-UHFFFAOYSA-N 350.447 2.949 50 50 FFGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 2553004 UUXBYUYZOZJEML-SRZZPIQSSA-N 359.813 2.619 50 50 FFGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccc(O)cc1 5442599 ZQCVCJJYNJLREX-UHFFFAOYSA-N 374.194 2.549 50 50 FFGA O=C(CN1CCCCCC1)N/N=C/c1ccc(F)c(Br)c1 4990414 NGEJKLVOTVXVHH-VCHYOVAHSA-N 356.239 2.914 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 16976445 HNGOZTOWDIHHOD-CIAFOILYSA-N 362.389 2.936 50 50 FFGA Cc1cccc(-n2cnc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)c2)n1 1398867 PUSMBDAMGSGGMP-UHFFFAOYSA-N 370.800 2.696 50 50 FFGA O=C(N/N=C/c1ccccc1O)c1ccccc1I 1501524 RYIPFXWFDBEUAP-CXUHLZMHSA-N 366.158 2.761 50 50 FFGA Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)[C@H]2CCCO2)c(C)n1C[C@@H]1CCCO1 252517749 QHNLAJWXCNLXGR-TZOYZSLKSA-N 371.481 2.875 50 50 FFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3)[C@H]2C1 19855880 ZMTLCAPZKNXEDU-RBUKOAKNSA-N 361.424 2.959 50 50 FFGA CCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 2059154 HGBYJHAOAPLZJF-UHFFFAOYSA-N 373.453 2.756 50 50 FFGA Cc1ccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)o1 1208913 WOQNXTJAXKTUFV-VCHYOVAHSA-N 355.423 2.720 50 50 FFGA C=CCOc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CCC3)cc1 3627435 MRDUBEDIONBAEX-IBGZPJMESA-N 364.449 2.828 50 50 FFGA Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(O)c(Br)c1)C(=O)N2 5647777 SPNJFEVFTJUFIH-UHFFFAOYSA-N 374.194 2.549 50 50 FFGA CCNC(=S)NNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 6655184 LSGWHCSDOXUEGD-UHFFFAOYSA-N 354.435 2.932 50 50 FFGA CC[C@H](Oc1ccccc1F)C(=O)NCCSSCCC(=O)O 1875388790 QDFXPBJUXFITKS-LBPRGKRZSA-N 361.460 2.955 50 50 FFGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 100151760 XDUPNUOZJANYNZ-KOMLCTQHSA-N 364.405 2.831 50 50 FFGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 4697942 CZLHEORUNBZBAO-ZDUSSCGKSA-N 371.374 2.970 50 50 FFGA O=C(NCCc1c[nH]c2ccccc12)OCCI 7518906 OWEHCCGAPCWDGL-UHFFFAOYSA-N 358.179 2.872 50 50 FFGA O=C(COc1ccc(Cl)cc1Cl)NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21 239378409 ORPVYBUKBWJCGV-HBYGRHMLSA-N 357.237 2.956 50 50 FFGA COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCC(N)=O 5028046 XOQOCZUWYZXCLJ-ZSOIEALJSA-N 362.389 2.808 50 50 FFGA O=C(Cc1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 847886 KQLYICPRFSWCIN-GIJQJNRQSA-N 361.195 2.871 50 50 FFGA CON(C)C(=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169989238 ODVRWJKLOZNLAJ-UHFFFAOYSA-N 357.526 2.583 50 50 FFGA C[C@]12CC[C@@H]3[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1C[C@@H](O)[C@]2(O)C#N 253500095 VZFYGLAXUCFBQI-ZUQCIKRFSA-N 373.493 2.918 50 50 FFGA biogenic CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSc2nc(C)cc(C)n2)c1 5009658 DNZIZYZUIFWYML-LPYMAVHISA-N 371.466 2.684 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 3072829 BLSFIOQKEVHZDR-KEBDBYFISA-N 373.796 2.524 50 50 FFGA Cc1cc(OC(C)(C)C(=O)NNC(=S)NCC(C)C)ccc1Cl 6825952 VPPIGLNFVVQKCZ-UHFFFAOYSA-N 357.907 2.957 50 50 FFGA O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C1[C@@H]2CCCC[C@@H]12 1230008 ORPVYBUKBWJCGV-GHMZBOCLSA-N 357.237 2.956 50 50 FFGA CC(=O)OCc1c(C)cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1C 5322473 MRHITPLWXKCGHL-GOSISDBHSA-N 366.421 2.925 50 50 FFGA CC(=O)OCc1c(C)cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1C 5322479 MRHITPLWXKCGHL-SFHVURJKSA-N 366.421 2.925 50 50 FFGA CCOc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1504114 ONZYWTZYUJWKOK-UDWIEESQSA-N 358.394 2.875 50 50 FFGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 5297026 NDVNYDUEIJZZPG-UDWIEESQSA-N 350.378 2.858 50 50 FFGA Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)cc1 2673477 HTEVQVTUVKLWNC-GIJQJNRQSA-N 363.211 2.992 50 50 FFGA Cn1c(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)nc2ccccc21 946843 UGKJHSXWCOXWQZ-VXLYETTFSA-N 368.418 2.514 50 50 FFGA [O-][n+]1c2c([n+]([O-])c3ccccc31)[C@H](Br)CC[C@H]2Br 101172381 QOMQOTQNQHOFRC-HTQZYQBOSA-N 374.032 2.772 50 50 FFGA O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1cccc(Cl)c1Cl 2518569 GNJSPCOZJZCBHK-QGMBQPNBSA-N 352.177 2.788 50 50 FFGA O=C(N/N=C/c1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2)o1 816648 IYRBMWHDNIRUTO-JFMUQQRKSA-N 360.373 2.807 50 50 FFGA CCCCCCCC(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2779373 RCRCOJCSWZSGCC-UHFFFAOYSA-N 352.347 2.625 50 50 FFGA COc1ccccc1OCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1 102310005 DKAJTYURDOGQPR-KGENOOAVSA-N 355.394 2.595 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1cccc([N+](=O)[O-])c1 1062028 CTPZBBBMMCOJEK-VIFPVBQESA-N 351.244 2.555 50 50 FFGA COc1cc([C@@H](NC(=O)[C@H](F)Cl)C(F)(F)F)cc(OC)c1OC 2325898137 UTJLUNJYXVJXLV-MNOVXSKESA-N 359.703 2.966 50 50 FFGA C[C@H](NC(=S)NNC(=O)c1ccc(Br)o1)c1ccccc1 6763593 DHRXTMPIELBBSM-VIFPVBQESA-N 368.256 2.912 50 50 FFGA COc1nn([C@@H](C)C(=O)N/N=C/c2cccc3ccccc23)cc1[N+](=O)[O-] 695893 NHUYCBRYMJLFKD-NJDFMEINSA-N 367.365 2.664 50 50 FFGA Cc1ccccc1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1O 5648542 KBHFPANLEURIRD-CIAFOILYSA-N 364.405 2.724 50 50 FFGA O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 1074713 WJUBGFSBDVLZKV-UHFFFAOYSA-N 365.798 2.802 50 50 FFGA COc1ccc(C(=O)NN)cc1COc1ccc(Br)cc1 652325 ZSQMNKRNAMEJIW-UHFFFAOYSA-N 351.200 2.640 50 50 FFGA Cn1cc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c2ccccc21 246350108 MKVCZCJUQOHETM-PWIZWCRZSA-N 374.444 2.851 50 50 FFGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccncc1 4210883 HKALWLOLJFNXLA-ZVBGSRNCSA-N 372.837 2.830 50 50 FFGA O=C(O)CCSSCCNC(=O)c1cnoc1-c1ccccc1 1875388956 WLXALBWETFMQOX-UHFFFAOYSA-N 352.437 2.928 50 50 FFGA COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc2c1OCO2 753429 LDQYATFLTIHISD-SFHVURJKSA-N 365.389 2.708 50 50 FFGA aggregator COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(O)c3)[nH]n2)cc1 5295305 QKYGNBLDWYVLPB-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA CN(C)c1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)cc1 822267 QDXIUTPUJOXZGN-KGENOOAVSA-N 350.422 2.643 50 50 FFGA OB(O)c1ccc(-c2ccc(-c3csc(-c4cnccn4)n3)cc2)cc1 169744719 QIJNANKKYORYSQ-UHFFFAOYSA-N 359.219 2.614 50 50 FFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(F)cc2)cc1 4229948 PMMWSODWANBYLB-YDZHTSKRSA-N 371.412 2.885 50 50 FFGA NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 1069032 MORLFGFQRGLQGE-KOLCDFICSA-N 359.739 2.800 50 50 FFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@@H]2C1 13479776 YXDSZISETFFJSC-CRAIPNDOSA-N 365.387 2.710 50 50 FFGA CC[C@H](NC(=O)[C@@H](C)Cl)c1ccccc1OCC(=O)N1CCCC1 1875363764 YIALORLPSGCBDA-HIFRSBDPSA-N 352.862 2.882 50 50 FFGA COC(=O)N/N=C(/C[C@@H]1C(=O)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 101131035 ANMGOOUPCHCNQM-SQQITKIUSA-N 369.333 2.748 50 50 FFGA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CI)O2 91302506 BYWOAGRBPWRFSD-SNVBAGLBSA-N 367.227 2.980 50 50 FFGA in-vitro CCC(C(=O)N/N=C/c1ccc(C)cc1)C(=O)N/N=C/c1ccc(C)cc1 39959602 ZYCXNVKBLVUHHI-MSKUYSOUSA-N 364.449 2.930 50 50 FFGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1 4812352 OPFHMTJHUZNTPZ-OWBHPGMISA-N 353.378 2.670 50 50 FFGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 4956135 NHVDFMGCTLNMTO-NTOSSWPYSA-N 363.757 2.871 50 50 FFGA Cc1ccccc1N1C(=O)[C@@H](Cc2ccccc2)S/C1=C(/C#N)C(N)=O 33928392 QALYASFELYJORC-MNTXUITRSA-N 363.442 2.907 50 50 FFGA COc1cccc([C@H]2[C@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)c1 253390189 FECXSRCBUAIHFT-FCDRMGDPSA-N 371.444 2.581 50 50 FFGA N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@]12C(=O)Nc1ccccc12 1428609 VIBOGWJHVKNHGN-FQEVSTJZSA-N 373.393 2.586 50 50 FFGA COc1cccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)c1 4260429 RSYHJKFIQUPSMN-YDZHTSKRSA-N 361.401 2.729 50 50 FFGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 3075258 AEOBWMRJEBYMBJ-LZYBPNLTSA-N 364.155 2.827 50 50 FFGA COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 15685534 ULCVVPFJOOYIRR-GDNBJRDFSA-N 366.373 2.793 50 50 FFGA COc1ccccc1N(C(=O)CCl)[C@H]1CC(=O)N(c2ccccc2)C1=O 100160968 PVFYZBMSHHBHQE-HNNXBMFYSA-N 372.808 2.599 50 50 FFGA Cc1ccc(C(=O)NN(C)c2cc(C)c(C#N)c(Cl)n2)cc1[N+](=O)[O-] 12462433 ZQZABSRBLWZUGD-UHFFFAOYSA-N 359.773 2.913 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1Br 1213868 YKHCPCRMXUIMRV-ZNBBLSJYSA-N 363.211 2.641 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)c(OC)c1 5402720 ZPPFKBNEUOZDLO-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA C=CC(=O)Nc1ccc(C(=O)NNC(=O)c2oc3ccccc3c2C)cc1 1875370742 BNIQYJNMXOIADX-UHFFFAOYSA-N 363.373 2.941 50 50 FFGA O=C(N/N=C/c1cc(Br)ccc1O)c1cccc([N+](=O)[O-])c1 1234454 XCSKKESWMADMGR-LZYBPNLTSA-N 364.155 2.827 50 50 FFGA Cn1cc(C(=O)NNC(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)c2ccccc21 246350086 MKVCZCJUQOHETM-NSISKUIASA-N 374.444 2.851 50 50 FFGA COc1cc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)ccc1O 2374560 FHOULSMWJGKZMB-WVISFHDSSA-N 352.394 2.537 50 50 FFGA CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 4038087 WAODMRRCTOQKSX-INIZCTEOSA-N 352.390 2.648 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1OC 8664433 DIYHMCNNFMGSHC-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2cnccn2)cc1 4258640 OZFPCOMYZGNWAN-FSJBWODESA-N 360.373 2.768 50 50 FFGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C1\CCOc2ccccc21 39959532 HOAQDYIQQYNBGB-NWLJZCLZSA-N 355.350 2.665 50 50 FFGA C=CC(=O)N1CCCc2cc(C(=O)NNC(=O)Nc3ccccc3)ccc21 2325889714 LMWHDXVFRZHEHC-UHFFFAOYSA-N 364.405 2.618 50 50 FFGA O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 2730194 FVRMKMCTSWPEBH-IAGOWNOFSA-N 374.437 2.660 50 50 FFGA Cc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)cc1 6573708 NBDKXUAZIXHYHH-GFCCVEGCSA-N 373.434 2.509 50 50 FFGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc(Cl)c2)cc1 2141388 DPGSBNKZAOODQO-SRZZPIQSSA-N 373.844 2.678 50 50 FFGA Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 2864993 NTORHZPQIIALGG-UHFFFAOYSA-N 353.422 2.692 50 50 FFGA Cc1cccc2c(CCC(=O)NNc3nc4ccccc4c(=O)[nH]3)c[nH]c12 137191571 ZPINOJRQQAOROY-UHFFFAOYSA-N 361.405 2.789 50 50 FFGA CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc([N+](=O)[O-])c1O 225345613 CAZHQBFCYZCVHJ-CASSYIQYSA-N 361.398 2.976 50 50 FFGA C[C@H]1CN([C@H](CNC(=O)[C@H](C)Cl)c2c(F)cccc2F)C[C@@H](C)O1 1875364425 QMPNPPSETGNSAZ-OZTPJHRESA-N 360.832 2.859 50 50 FFGA Cc1ccc(S(=O)(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 3895621 XIBIJETUNPOUAZ-UHFFFAOYSA-N 362.495 2.911 50 50 FFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 1427309 ROGCGXCAYHXQMD-INIZCTEOSA-N 374.356 2.665 50 50 FFGA Cn1/c(=N\NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)sc2ccccc21 222037747 WIGQXLGSLJDRIP-CUXYQOGBSA-N 371.506 2.893 50 50 FFGA CC1=Nc2ccc(Br)cc2[C@@H](c2ccccc2)N1CC(=O)NN 835860 DDSZTCDLYPIRAN-QGZVFWFLSA-N 373.254 2.894 50 50 FFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1O 1120900 HUBHNBYXZFQFIO-AWEZNQCLSA-N 361.195 2.969 50 50 FFGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 8973313 PETRCCPIPWYVPH-LBPRGKRZSA-N 350.827 2.975 50 50 FFGA CC(=O)O[C@H]1C[C@H]2[C@@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238497 RMADYUJTAOPBEY-YTLHQDLWSA-N 370.087 2.537 50 50 FFGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(O)(c1ccccc1)c1ccccc1 826143 KDQFQKZJQZEEKD-OEAKJJBVSA-N 374.396 2.802 50 50 FFGA O=C(NN[C@H]1[C@@H]2CCCCC2=NN1C(=O)c1ccccc1)c1ccccc1 1195424 MSLBUQDXSJGGRA-IEBWSBKVSA-N 362.433 2.949 50 50 FFGA O=C(O)[C@H](Br)[C@@H](Br)c1ccccc1[N+](=O)[O-] 1557413 ZZBGCCIQPYEBFF-JGVFFNPUSA-N 352.966 2.879 50 50 FFGA in-vitro Cc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1Br)C(=O)N2C 17730012 RRVYGESVURKMKM-CYVLTUHYSA-N 372.222 2.868 50 50 FFGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 22779767 ADKCJVBJWFIVPV-KRWDZBQOSA-N 373.368 2.970 50 50 FFGA COc1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1OC 2686167 IGURGQXSLJHASU-CIAFOILYSA-N 352.394 2.594 50 50 FFGA CCn1cc(C(=O)NCCSSCCC(=O)O)c(C(C)(C)C)n1 1875388647 KASGCYRITJGOJG-UHFFFAOYSA-N 359.517 2.786 50 50 FFGA Cc1ccc(O)c(/C=N/NC(=O)COc2ccc(Br)cc2)c1 842157 AYUGIZHXYQXFCD-GIJQJNRQSA-N 363.211 2.992 50 50 FFGA COc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)cc1OC 5494406 NQCVPLXBPHBYMQ-NDENLUEZSA-N 358.394 2.875 50 50 FFGA CCNC(=S)NNC(=O)[C@@H](CC)Oc1cc(Cl)ccc1Cl 6707085 BPAAJYJTTFWNBS-SNVBAGLBSA-N 350.271 2.666 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1O 2141489 MSKRYKPYPUZFJO-DNTJNYDQSA-N 366.204 2.579 50 50 FFGA O=C(CCl)[C@H](NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 2896934 XTGQHVHOCPXHOQ-VIFPVBQESA-N 365.065 2.512 50 50 FFGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1Br 4330500 YVQYTYFQZVCSDY-KEBDBYFISA-N 374.238 2.638 50 50 FFGA CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 17074430 DGBXGMIFGNWZPS-PKNBQFBNSA-N 361.448 2.504 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)c(OC)c1 1192513 VMTKBGKWIQNPLV-UZPSYVQNSA-N 374.466 2.742 50 50 FFGA CCCCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21 101123485 GKHMTNNZQXIJJM-LPYMAVHISA-N 364.405 2.666 50 50 FFGA CN(Cc1nccs1)[C@H]1CC12CCN(C(=O)C1=C(C#N)CCC1)CC2 952886984 GARZTOOORSZYOT-INIZCTEOSA-N 356.495 2.960 50 50 FFGA COc1cccc([C@@H]2[C@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)c1 253390191 FECXSRCBUAIHFT-PPRPKMEESA-N 371.444 2.581 50 50 FFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@H]2C1 1288067 OAENUUBPOGAWMI-HKUYNNGSSA-N 361.424 2.959 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1cccc([N+](=O)[O-])c1 1062026 CTPZBBBMMCOJEK-SECBINFHSA-N 351.244 2.555 50 50 FFGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 2751793 PKDAMWFKIYTEFH-UFFVCSGVSA-N 365.311 2.803 50 50 FFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/C=C/c1ccccc1 19372617 UECDLYDMSLAUBB-ZUSHJTOUSA-N 362.477 2.620 50 50 FFGA O=C(O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 2519906 LMWLDRNHXXAGKS-SRZZPIQSSA-N 364.357 2.773 50 50 FFGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 4956136 NHVDFMGCTLNMTO-SVXRXWARSA-N 363.757 2.871 50 50 FFGA COc1ccc(NC(=O)NNC(=O)c2ccc(Br)o2)cc1 13324061 ITYJPUXITFQHKG-UHFFFAOYSA-N 354.160 2.517 50 50 FFGA CCCCNC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 2794574 VBTLSVZPZIOKND-UHFFFAOYSA-N 367.368 2.832 50 50 FFGA NNC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 2384363 UITZKGDNMRCOKY-UHFFFAOYSA-N 363.221 2.524 50 50 FFGA COc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(C)c2)cc1O 5710868 VQUUCUMHZJKWTG-UDWIEESQSA-N 355.394 2.578 50 50 FFGA COc1cc(/C=N/NC(=O)CCC(=O)Nc2cccc(C)c2)ccc1O 5548193 BGUPCBRTGMFYDA-UDWIEESQSA-N 355.394 2.578 50 50 FFGA COc1ccc(NCCCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2996075 ICSJCVDFKFGBOP-DEDYPNTBSA-N 356.382 2.946 50 50 FFGA CC1(C)OC(=O)c2cc(C(=O)NCCSSCCC(=O)O)ccc21 1875388673 LPHGHSGWVOWRGV-UHFFFAOYSA-N 369.464 2.678 50 50 FFGA COc1cccc2ccc(C(=O)NCCSSCCC(=O)O)nc12 1875388996 XVAWQHADTXRTEP-UHFFFAOYSA-N 366.464 2.829 50 50 FFGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OCC 658724 TVPYOEMVAKMIOM-KRWDZBQOSA-N 368.389 2.964 50 50 FFGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 4697941 CZLHEORUNBZBAO-CYBMUJFWSA-N 371.374 2.970 50 50 FFGA CC(C)(C)OC(=O)N1C[C@@H](CI)OCC1(C)C 1772717960 MSIRDOLZENEODO-SECBINFHSA-N 355.216 2.836 50 50 FFGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccco1 1211834 VESWZZWPQVDJLU-UHFFFAOYSA-N 373.590 2.536 50 50 FFGA Cc1ccc(NC(=O)CCC(=O)NNC(=O)NC2CCCCC2)c(C)c1 2860889 YMYWAMHBKKDERB-UHFFFAOYSA-N 360.458 2.685 50 50 FFGA CC(=O)Oc1c(Cl)cc([N+](=O)[O-])cc1N1C(=O)c2ccccc2C1=O 1115962 AZAFXQHLLZJPJP-UHFFFAOYSA-N 360.709 2.974 50 50 FFGA CCCCCC(=O)NNC(=S)Nc1sc2c(c1C(=O)OC)CCC2 6635097 IEEIGVHPZLMEFG-UHFFFAOYSA-N 369.512 2.921 50 50 FFGA N#CC(C(=O)CCCN1C(=O)c2ccccc2C1=O)=C1Nc2ccccc2N1 5596030 VFASZFLPJFJEIL-UHFFFAOYSA-N 372.384 2.905 50 50 FFGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)sc2c1CCCC2 4210006 QCAPTVZINDDZRV-UFFVCSGVSA-N 370.409 2.726 50 50 FFGA CCc1ccc([C@@H]2C(C#N)=C(SCC(N)=O)NC(C)=C2C(C)=O)cc1 19759242 NQIXHHLAHWJGTJ-GOSISDBHSA-N 355.463 2.752 50 50 FFGA CCOc1ccc([C@H]2[C@@H]3CN(CC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 4891242 YSWLRXSYQZAMDH-UXHICEINSA-N 373.460 2.831 50 50 FFGA CC[C@@H](Oc1ccccc1F)C(=O)NCCSSCCC(=O)O 1875388789 QDFXPBJUXFITKS-GFCCVEGCSA-N 361.460 2.955 50 50 FFGA C[C@@H](c1ccccc1)N1C[C@H](C(=O)NNc2ccc(F)c(C#N)c2)CC1=O 2325819758 OZWDDSHEQHHJCU-XJKSGUPXSA-N 366.396 2.750 50 50 FFGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O1 1227842 URLQJTBYPRPIAV-MRXNPFEDSA-N 358.394 2.826 50 50 FFGA Cc1cc(O[C@@H](C)C(=O)N/N=C/c2ccccc2C(=O)O)ccc1[N+](=O)[O-] 17076057 UUYSWBCBSGZAHY-NJDFMEINSA-N 371.349 2.519 50 50 FFGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c([N+](=O)[O-])cc1OC 226694965 KNHUWRAENMYBRW-UELKCOMZSA-N 361.398 2.888 50 50 FFGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1ccco1)S(=O)(=O)CC2 1429907 DIMGTCRNHQSOAK-INIZCTEOSA-N 371.393 2.746 50 50 FFGA CCc1ccccc1NC(=S)NNC(=O)Cc1ccc(OC)c(OC)c1 6568324 WJZUYSPUFQVHDJ-UHFFFAOYSA-N 373.478 2.827 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 4210890 LIVPERRFTSOZOG-FYJGNVAPSA-N 356.401 2.761 50 50 FFGA CCc1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239174420 PZTJVLUTSZLBNQ-ORIIPUBOSA-N 364.239 2.759 50 50 FFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 2568403 HEBXCQKDFMKUNC-UDWIEESQSA-N 362.345 2.837 50 50 FFGA COCCCNC(=S)NNC(=O)CC(c1ccccc1)c1ccccc1 2856302 OEXVFADOEAERNU-UHFFFAOYSA-N 371.506 2.740 50 50 FFGA CC(C)(C)OC(=O)N1C[C@H](CI)OC2(CCC2)C1 1772718145 UCDOSHOSLWSXTK-JTQLQIEISA-N 367.227 2.980 50 50 FFGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cnccn3)cc2)c1 2542469 FAMDXGZZMBJZTK-FSJBWODESA-N 360.373 2.768 50 50 FFGA CCCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)c2ccccc21 1420903 QLUMOHBFVQLDDJ-QKVFXAPYSA-N 363.417 2.658 50 50 FFGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(O)c2)[nH]n1 868079 DCUVJFTVDJBIDZ-UDWIEESQSA-N 350.378 2.945 50 50 FFGA Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)c1cc2ccccc2nc1C 5648304 VQNBGMCCIWPVEM-NKFKGCMQSA-N 358.401 2.962 50 50 FFGA COc1ccc(/C=N\NC(=O)[C@@H](O)c2ccc(Br)cc2)cc1 32650020 LZCKZVZSEHBHAU-PACYTGELSA-N 363.211 2.641 50 50 FFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3)[C@@H]2C1 5799163 ZMTLCAPZKNXEDU-RTBURBONSA-N 361.424 2.959 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(OC)c3)[nH]n2)cc1 1816011 ROBGEWOTHXNHLL-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA O=C(COc1cccc(Cl)c1)N/N=C/c1cc2ccccc2[nH]c1=O 4229214 CXWAZNOINAZOPB-KEBDBYFISA-N 355.781 2.711 50 50 FFGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(OC)cc2)cc1 2886435 QPCZYGLFBRKFTC-UHFFFAOYSA-N 369.421 2.899 50 50 FFGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 4964351 BWPOABBYLSXFRE-UDBZAKHSSA-N 353.334 2.550 50 50 FFGA CC1=C(C#N)[C@](Nc2ncc(Br)cn2)(C(F)(F)F)C(O)=N1 40286855 JPUFOELDZAUNHB-SNVBAGLBSA-N 362.109 2.720 50 50 FFGA O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239310293 IHRKASQQGMYREB-BOKPKCGUSA-N 370.630 2.850 50 50 FFGA COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)cc(OC)c1OC 32606220 VNYMPTFYYACPND-NHDPSOOVSA-N 357.410 2.583 50 50 FFGA COc1ccc(C=NNC(=O)c2cccnc2)cc1COc1ccccn1 252679484 NDKYFCXBUFCSCQ-UHFFFAOYSA-N 362.389 2.828 50 50 FFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@@H]2C1 27103719 OAENUUBPOGAWMI-IEBWSBKVSA-N 361.424 2.959 50 50 FFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 4259477 RLYPVJYKEXXQTB-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(CBr)c1 201647835 IIIKWJORPDUKAI-UHFFFAOYSA-N 355.037 2.667 50 50 FFGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(N(C)C)cc1 2167360 QPVZTJRBPYRIQO-UHFFFAOYSA-N 362.817 2.881 50 50 FFGA COc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 4184372 LESUBOPCPYBFLY-SFHVURJKSA-N 366.465 2.908 50 50 FFGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(F)c(F)c(F)c(F)c1F 2114909 JNZNCTSXEXASRX-AERZKKPOSA-N 373.237 2.983 50 50 FFGA C/C(=N\NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(-n2cnnn2)c1 1875256216 RMPSBTLMFGJECF-SSDVNMTOSA-N 374.326 2.835 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1OC 1227976 DNAXZJYEKRJQDB-MRXNPFEDSA-N 358.394 2.739 50 50 FFGA COc1ccc(Br)c([C@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)c1 5408928 WQGFSODMPIYBLC-LBPRGKRZSA-N 361.199 2.707 50 50 FFGA CCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O 2059153 MGTFXJQCXDVRCC-UHFFFAOYSA-N 359.426 2.745 50 50 FFGA COc1ccc(NC(=S)NNC(=O)COc2ccc(C)cc2C)cc1 2571211 ONJMZFRCKUVBKD-UHFFFAOYSA-N 359.451 2.709 50 50 FFGA CCOc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 32625345 VLRWCHUISUKXQQ-RIWZNOJBSA-N 365.433 2.897 50 50 FFGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1OC 5214760 VMZLXPBWHQLAOL-VXLYETTFSA-N 370.434 2.823 50 50 FFGA N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]1c1ccco1 13137943 OCQCPHDQYKDGCN-KKUMJFAQSA-N 369.377 2.501 50 50 FFGA Cc1cccc2cc(/C=N/NC(=O)c3nn(C)cc3[N+](=O)[O-])c(Cl)nc12 2750401 GJHLQZBGZNLJFR-CNHKJKLMSA-N 372.772 2.602 50 50 FFGA O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 130440281 LJZOJYZAQFTCBS-FFZOFVMBSA-N 372.428 2.907 50 50 FFGA Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c(C)c1 239090979 HNVOSKZUPCGDGB-NCPBCQDQSA-N 364.239 2.813 50 50 FFGA CC(=O)O[C@@H]1[C@H]2C[C@@H]([C@H]1Br)C(C(F)(F)F)(C(F)(F)F)N2 245234855 FCKCEYSPFMHAJD-BDVNFPICSA-N 370.087 2.537 50 50 FFGA Cc1c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 1120471 HNUHGFPCXJSMND-UHFFFAOYSA-N 353.334 2.936 50 50 FFGA CCc1c(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)csc1C 6518864 UEIVVIBIABNZLC-UHFFFAOYSA-N 363.464 2.979 50 50 FFGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1n[nH]c2c1CCc1ccccc1-2 4518089 LONFIFPKQNNGRA-RGVLZGJSSA-N 361.361 2.847 50 50 FFGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccccc1)C(C#N)=C(N)O2 1302668 TVIFBRXNKFYQDQ-LJQANCHMSA-N 370.412 2.818 50 50 FFGA Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17073155 XKTFFMWIODJWPQ-CABCVRRESA-N 353.378 2.680 50 50 FFGA N#CSCCCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O 328591524 UVECPDRHAVUBRW-UHFFFAOYSA-N 370.356 2.931 50 50 FFGA Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 239038682 DRFLLNFZSRTEEU-MBIARJLFSA-N 364.239 2.813 50 50 FFGA C=CCOc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 35606356 KKUIZSGMROTLRZ-PMACEKPBSA-N 371.444 2.607 50 50 FFGA O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2383761 KSSVQNONMMUWIR-QGMBQPNBSA-N 352.177 2.788 50 50 FFGA CC(=O)O[C@@H]1C[C@H]2[C@@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238496 RMADYUJTAOPBEY-WNJXEPBRSA-N 370.087 2.537 50 50 FFGA O=C(CCl)NC1CCN(c2nc(C3CC3)cc(C(F)(F)F)n2)CC1 1875384069 KXSJHSCVYIBLOR-UHFFFAOYSA-N 362.783 2.697 50 50 FFGA COC(=O)c1ccccc1NC=C(C#N)C(=O)NCc1ccc(OC)cc1 2049463225 UHIFLGHDCGHWII-UHFFFAOYSA-N 365.389 2.618 50 50 FFGA O=C(NN[C@@H]1[C@@H]2CCCCC2=NN1C(=O)c1ccccc1)c1ccccc1 1195427 MSLBUQDXSJGGRA-MJGOQNOKSA-N 362.433 2.949 50 50 FFGA O=C(CCl)c1c[nH]c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 6861898 DDWTUHATLIIVDQ-FRKPEAEDSA-N 351.706 2.699 50 50 FFGA COc1cc(/C=N/NC(=O)CCc2ccccc2)c([N+](=O)[O-])cc1OC 668264 JPKMMGFYLAKTCT-XDHOZWIPSA-N 357.366 2.695 50 50 FFGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 1213986 QTGXLRKEBRDOFI-JZQBQCRLSA-N 364.361 2.569 50 50 FFGA COc1ccc(/C(C)=N\NC(=O)CNc2ccc(C)cc2)cc1[N+](=O)[O-] 16671167 CKNNACXEXYCHFV-MOSHPQCFSA-N 356.382 2.864 50 50 FFGA C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2oc1=O 13136094 KRNSWEKBTTUMQG-ODLFYWEKSA-N 351.318 2.855 50 50 FFGA COc1cccc([C@@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 13471513 MHBOIAHUVWGPEG-VQTJNVASSA-N 373.460 2.829 50 50 FFGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4cccc(F)c4)[C@@H]3[C@H]1CC2 142705181 HSQSGIPRWNRTCY-DQEVTTJGSA-N 359.408 2.712 50 50 FFGA O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1ccncc1 1214808 ZAVPGVOXTOFXOW-REZTVBANSA-N 354.591 2.967 50 50 FFGA Cc1ccc(S(=O)(=O)N2C=C[C@@H]3C(=O)[C@@H](Br)CC[C@H]32)cc1 12954957 BHBKROHWTGHOGA-MELADBBJSA-N 370.268 2.624 50 50 FFGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1Cl 4293118 CXYIJIJKKUJYLH-QGMBQPNBSA-N 352.177 2.788 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)cc1 5296172 UCHLUBLYDGCMTD-FYJGNVAPSA-N 363.421 2.915 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)c(O)c1 13638918 XZOPIDIWGAMWED-SSDVNMTOSA-N 351.410 2.879 50 50 FFGA C[C@H](Cl)C(=O)NC[C@H](c1c(F)cccc1F)N1C[C@@H](C)O[C@H](C)C1 1875364421 QMPNPPSETGNSAZ-MCYUEQNJSA-N 360.832 2.859 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 4231414 ZJFGNAVPMBTHGO-KGENOOAVSA-N 352.438 2.930 50 50 FFGA CCOC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 2350728 CULVQCMQZDCVRE-QWHCGFSZSA-N 361.379 2.926 50 50 FFGA COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c2c(c1)OCCO2 253471358 QDTDKEIWTFANCC-GOSISDBHSA-N 366.373 2.693 50 50 FFGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccccc1)C(=O)N2C 5613582 NCFZLHJSBPSPRL-RGEXLXHISA-N 372.222 2.868 50 50 FFGA N#CC1=C(N)Oc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c2[C@@H]1c1ccncc1 5936542 XNAAGHQYNJUVQQ-CQSZACIVSA-N 360.333 2.598 50 50 FFGA COCCCNC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 13496781 ASGWTNBULYWGIE-CVEARBPZSA-N 363.527 2.619 50 50 FFGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2576168 OSKOCNFICXDMIQ-QGMBQPNBSA-N 352.177 2.788 50 50 FFGA Cc1cc(Br)c(OCc2ccccc2Cl)c(B(O)O)c1 169746565 VJOGFKWLTLTDCH-UHFFFAOYSA-N 355.424 2.670 50 50 FFGA in-vitro C=CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 4230137 SEQKEEIBECDRNR-WSDLNYQXSA-N 371.824 2.785 50 50 FFGA O=C(N/N=C/c1ccccc1C(F)(F)F)[C@@H]1COc2ccccc2O1 1203765 MZKGWHILQMDKTE-PZEXIZOFSA-N 350.296 2.996 50 50 FFGA COc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 1228154 LKUSSNOSESKSDS-VXLYETTFSA-N 357.366 2.749 50 50 FFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(F)cccc3Cl)[C@H]2C1 13479734 NEIACYGSZUEVRF-GUYCJALGSA-N 367.815 2.834 50 50 FFGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4210603 SENLWVVCDMXEBM-SRZZPIQSSA-N 366.446 2.896 50 50 FFGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc12 2568404 GQDBHHXVVHKTEQ-UDWIEESQSA-N 362.345 2.837 50 50 FFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1n[nH]c2c1CCc1ccccc1-2 9110651 SVEVDLWYZJZQNB-RGVLZGJSSA-N 361.361 2.847 50 50 FFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12 2571826 LTFMUKBEYHTNSH-UDWIEESQSA-N 362.345 2.837 50 50 FFGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)ccc1O 5296032 WQMSHFYYYIZGDB-RGVLZGJSSA-N 350.378 2.863 50 50 FFGA Cc1cc2c(c(=O)o1)[C@H](c1ccc(Br)s1)C(C#N)=C(N)O2 714267 GYMQPSVIQTXTLI-NSHDSACASA-N 365.208 2.990 50 50 FFGA Cc1ccc(S(=O)(=O)NNC(=O)c2csc3c2CCCC3)cc1 850535 QVRRFOUGVSNLGC-UHFFFAOYSA-N 350.465 2.559 50 50 FFGA N#C/C(=C\c1ccccc1O)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1217868 JVZJNDRVHAOCLQ-FMIVXFBMSA-N 367.430 2.977 50 50 FFGA COc1cc([C@H](NC(=O)[C@H](F)Cl)C(F)(F)F)cc(OC)c1OC 2325898138 UTJLUNJYXVJXLV-QWRGUYRKSA-N 359.703 2.966 50 50 FFGA Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NN)cc3N2)cc1C 1069026 XUSNXVXTMCSOAW-AAEUAGOBSA-N 353.348 2.764 50 50 FFGA CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCC 18285516 IRLPEVBHKIDSKK-MRXNPFEDSA-N 367.405 2.699 50 50 FFGA COc1ccc(/C=N\NC(=O)c2ccco2)cc1Cn1nc(C)cc1C 30860442 CDIFINQQVVNSBJ-JAIQZWGSSA-N 352.394 2.914 50 50 FFGA N#Cc1ccccc1OCC(=O)N/N=C/C=C/c1cccc([N+](=O)[O-])c1 4599310 LAVCLFIQXROFJK-PHNSAVJNSA-N 350.334 2.661 50 50 FFGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc2ccccc12 2571821 BKONPRHPWVLVGU-SRZZPIQSSA-N 361.357 2.657 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1 867959 ADUGPGWXZIRNHA-VXLYETTFSA-N 368.418 2.997 50 50 FFGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(O)cc1O 1496581 NEBFAIKLRJNPBQ-CNHKJKLMSA-N 355.177 2.934 50 50 FFGA Cc1nn(C)c(C(=O)N/N=C/c2ccc(Cl)cc2)c1Br 676178 MOGXFENIWLJDJL-FRKPEAEDSA-N 355.623 2.908 50 50 FFGA COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 15685819 KTOBMRWRPSTOHP-PTNGSMBKSA-N 366.373 2.793 50 50 FFGA CCOC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 2350727 CULVQCMQZDCVRE-STQMWFEESA-N 361.379 2.926 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1 17027317 WSXJKPNINCLQLA-VXLYETTFSA-N 352.350 2.529 50 50 FFGA Cc1cc(OCC(=O)NNC(=O)c2ccc(F)cc2)cc(C)c1Cl 910892 NOIZVPMWABEUDC-UHFFFAOYSA-N 350.777 2.936 50 50 FFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc(Cl)c1 1952844 SWXFJWBCMDRQHL-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 2902760 VSYWDFMTOUKKSP-LPYMAVHISA-N 371.824 2.671 50 50 FFGA Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O 37866091 SIXLXDIJGIWWFU-UHFFFAOYSA-N 368.480 2.571 50 50 FFGA endogenous,world O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)NC12CC3CC(CC(C3)C1)C2 35338671 VSAKNCLRLXJDPA-VXLYETTFSA-N 358.398 2.902 50 50 FFGA C=CC(=O)Nc1cccc(C(=O)NNC(=O)c2c(F)cccc2Cl)c1 1875370714 ACLUKOKIPPMTKX-UHFFFAOYSA-N 361.760 2.678 50 50 FFGA O=C(C(Br)Br)C(Br)Br 2522838 SAMNBOHOBWEEEU-UHFFFAOYSA-N 373.664 2.787 50 50 FFGA biogenic NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 1069035 MORLFGFQRGLQGE-MWLCHTKSSA-N 359.739 2.800 50 50 FFGA Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1C 239412463 SSEYSTVHQULNHX-JNWWKETESA-N 364.239 2.813 50 50 FFGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)c1 946194 IPBAKYSSGWYRDR-UDWIEESQSA-N 350.378 2.945 50 50 FFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OCC)c1 1227933 RPTNDRQJFKKVDY-KRWDZBQOSA-N 358.394 2.739 50 50 FFGA N#Cc1ccc(/C=N/NC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1 2755165 ILNWUDFIAQOYOS-QPSGOUHRSA-N 353.279 2.780 50 50 FFGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1 4230278 ZMEBPMKITOSAKI-SRZZPIQSSA-N 359.813 2.619 50 50 FFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccc(Cl)cc1 20080762 XBQIIOUSJZDXOR-HYARGMPZSA-N 370.884 2.608 50 50 FFGA C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1cccc([N+](=O)[O-])c1 945654 NFKDKWLPFHYLFK-XDHOZWIPSA-N 359.411 2.634 50 50 FFGA COC(O)=C1C=CC(=N/C=C(/C#N)S(=O)(=O)c2ccc(OC)cc2)C=C1 334158531 UKIGRSYIWIVSFJ-DVBSKYFRSA-N 372.402 2.817 50 50 FFGA O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1ccc(Cl)cc1 4261342 SPBBTQXLODGSSD-QGMBQPNBSA-N 352.177 2.788 50 50 FFGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc2ccccc12 4259953 ZTDNKXVJGSXGIE-YDZHTSKRSA-N 361.401 2.729 50 50 FFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3c(F)cccc3Cl)[C@@H]2C1 13479733 NEIACYGSZUEVRF-DYVFJYSZSA-N 367.815 2.834 50 50 FFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 843925 PFJWXYIOHIWMLK-OAHLLOKOSA-N 361.313 2.919 50 50 FFGA Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 2897710 KIMBHRFTFXIZQR-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA N#CC1(C#N)CC(C=O)=C(N)[C@]1(C#N)CC(=O)C12CC3CC(CC(C3)C1)C2 4170924 UREBJGVXXWXYDI-AXAPJSKWSA-N 362.433 2.521 50 50 FFGA NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 1069033 MORLFGFQRGLQGE-ONGXEEELSA-N 359.739 2.800 50 50 FFGA C=CCNC(=S)NNC(=O)CSCc1ccc(Cl)c(Cl)c1 2852718 FJOAZVPTGFDVGN-UHFFFAOYSA-N 364.323 2.908 50 50 FFGA Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1Br)C(C#N)=C(N)O2 2300594 PDVZHJMQEVEPOR-ZDUSSCGKSA-N 359.179 2.929 50 50 FFGA O=C(Cc1cccc([N+](=O)[O-])c1)N/N=C/c1cc2ccccc2nc1O 253536189 HAZMDPAUOVOTMR-YBFXNURJSA-N 350.334 2.541 50 50 FFGA CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(Cl)cc1 2529592 QBIHCFCMQJZIDT-KEBDBYFISA-N 361.785 2.960 50 50 FFGA O=C(Nc1cccc(Cl)c1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239105311 IFAQTGVULZCIDC-PTEOKISQSA-N 370.630 2.850 50 50 FFGA COc1ccc(/C(C)=N/NC(=O)CCn2cnc3ccccc32)cc1OC 5494546 JDKZVTZPHNSHIU-HYARGMPZSA-N 366.421 2.984 50 50 FFGA Cc1nc2sc3c(c2c(=O)n1NC(=O)CCBr)CCCC3 2075264 YWKDWLIAMPHCEX-UHFFFAOYSA-N 370.272 2.500 50 50 FFGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)[C@@H]1CC12CCC2 13477636 RXWAWIDVEQWXEF-JTQLQIEISA-N 362.227 2.720 50 50 FFGA COc1cc(/C=N\NC(=O)c2ccn(C)n2)ccc1OCc1ccccc1 102300067 GFQVUPNNJSNKRY-BKUYFWCQSA-N 364.405 2.772 50 50 FFGA CC(C)c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)[nH]n1 5314511 RGQAMPWLUDNUDW-FRKPEAEDSA-N 351.204 2.765 50 50 FFGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4302367 DNLMGQDTJYXXNA-VXLYETTFSA-N 374.784 2.899 50 50 FFGA C=CCc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1O 4259760 KNBIJLNKKUKMRF-SSDVNMTOSA-N 371.824 2.654 50 50 FFGA C[C@H](Cl)C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1875364810 UQPHDJVFAKVXNC-NSHDSACASA-N 368.842 2.521 50 50 FFGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1C(F)(F)F 4347359 HQBSGRGBFKMTLK-AUEPDCJTSA-N 363.339 2.894 50 50 FFGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(Cl)c1 4229712 MEJYNLMOFBKOHJ-SRZZPIQSSA-N 359.813 2.619 50 50 FFGA C[C@@H](c1ccc(B(O)O)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1 230542544 ZOZNDXCEIZMXDB-HNNXBMFYSA-N 363.383 2.914 50 50 FFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1[N+](=O)[O-] 857106 ZVKSQQNYRPFYOQ-HNNXBMFYSA-N 361.313 2.919 50 50 FFGA CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc(C)c2C)[C@@H](C(=O)O)C1 4651626 OTXVCCVZJUWJJE-OLZOCXBDSA-N 350.440 2.573 50 50 FFGA O=C(N/N=C/c1ccc(Br)cc1)[C@H]1COc2ccccc2O1 1226340 OUTOQWKQEXJRTA-QANDDYDISA-N 361.195 2.739 50 50 FFGA O=C(c1ccc(Cl)c(B(O)O)c1)N(Cc1ccccc1)c1ccccc1 169744127 GAZLDLYIJQSCHD-UHFFFAOYSA-N 365.625 2.867 50 50 FFGA N#C/C(=C\N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1 2504468 ZWAMPEYHWOAXKW-KNTRCKAVSA-N 353.447 2.647 50 50 FFGA CCCc1n[nH]c2c1[C@H](c1ccc(OC(C)=O)c(OC)c1)C(C#N)=C(N)O2 4978952 CHJNEFASSXCWFZ-MRXNPFEDSA-N 368.393 2.514 50 50 FFGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4210663 IHPUXDLYZHUZKY-SRZZPIQSSA-N 359.813 2.619 50 50 FFGA CC(C)[C@H]1C(C#N)=C(N)Oc2nc(SCc3ccccc3)[nH]c(=O)c21 1148705 ABOUMNGMEJHJAA-ZDUSSCGKSA-N 354.435 2.888 50 50 FFGA O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 2730195 FVRMKMCTSWPEBH-IRXDYDNUSA-N 374.437 2.660 50 50 FFGA CC1=C(C)C[C@H](C(=O)NNC(=O)CCC2CCCCC2)[C@@H](C(=O)O)C1 5841725 RVGNQXNWKYJLBS-HOTGVXAUSA-N 350.459 2.942 50 50 FFGA CCOc1ccc(C(=O)NCC(=O)N/N=C/C=C/c2ccccc2)cc1 4335814 UPMCFAURGGUHEZ-HSRIELGNSA-N 351.406 2.631 50 50 FFGA CC1(C)Cc2cc(C(=O)NCCSSCCC(=O)O)ccc2O1 1875388511 DYWQORHBNOIGDK-UHFFFAOYSA-N 355.481 2.986 50 50 FFGA O=C(Cc1ccccc1)N/N=C/c1ccc(I)o1 1229795 APQSELUFHZNMJO-OQLLNIDSSA-N 354.147 2.577 50 50 FFGA CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 1121755 ZMRBGVCAWBJLPB-UHFFFAOYSA-N 356.338 2.572 50 50 FFGA CC(C)(C)OC(=O)N1CCC2(CC1)SCCN2C(=O)NCCCl 43827802 PMZVZGZFPADSIN-UHFFFAOYSA-N 363.911 2.711 50 50 FFGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2OCC)cc1 2531815 NKIWQDOXPVXQMW-CIAFOILYSA-N 371.393 2.705 50 50 FFGA C[C@H](Cl)C(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1875370443 OUMLTUGPGDQWRD-TUAOUCFPSA-N 354.800 2.796 50 50 FFGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 754264 YYCSZTGQIVUOLW-MRXNPFEDSA-N 370.405 2.860 50 50 FFGA O=C(Cc1c(F)cccc1Cl)NNC(=O)Nc1ccc2c(c1)OCO2 2857264 REGGQJMXLXZGCA-UHFFFAOYSA-N 365.748 2.603 50 50 FFGA CCOC(=O)[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])o1 6758262 FSVYWPLKNUMDGN-HTQZYQBOSA-N 370.981 2.950 50 50 FFGA CC(C)(CC(=O)NNC(=O)c1sc2ccccc2c1Cl)C(=O)O 170627447 JIFYTKVEGMRZLZ-UHFFFAOYSA-N 354.815 2.817 50 50 FFGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c1 1455437 AGWKXNXAGDVJIR-YBFXNURJSA-N 354.435 2.824 50 50 FFGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OCC 4995301 HODLVCNISJEIKD-KRWDZBQOSA-N 367.405 2.699 50 50 FFGA C=CCNC(=S)NNC(=O)c1ccc(COc2ccccc2Cl)o1 6819882 DOBQICQQIDBELT-UHFFFAOYSA-N 365.842 2.807 50 50 FFGA COc1ccc(CC(=O)NNC(=S)Nc2cccc(C)c2C)cc1OC 6632330 DDIFZGWWSGZEDS-UHFFFAOYSA-N 373.478 2.881 50 50 FFGA CN(NC(=O)Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4761757 ZJHUPXVFBVBWHP-UHFFFAOYSA-N 367.268 2.954 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc1 1234709 AITVOYDSWPHEAT-SRZZPIQSSA-N 354.406 2.928 50 50 FFGA CCCCc1[nH]nc2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 5042259 YSABORBAUMCGHF-MRXNPFEDSA-N 354.410 2.988 50 50 FFGA COc1cc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc(OC)c1O 6187468 KRWOAPCQWLUTBE-GIJQJNRQSA-N 372.406 2.625 50 50 FFGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(F)F 706805 DAXKNTGPIMMPOA-AWEZNQCLSA-N 362.336 2.936 50 50 FFGA CCCc1cc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cs1 2737994 APWUQIHXGASFMI-LSDHHAIUSA-N 364.467 2.909 50 50 FFGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccncc1 3151309 APYHJOLMOHECBM-DJKKODMXSA-N 362.227 2.990 50 50 FFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)cc1 5296184 QIEZNYAMMXEWET-UDWIEESQSA-N 350.378 2.945 50 50 FFGA Cn1nnnc1SCCCN(Cc1ccc(Cl)cc1)C(=O)CCl 2325904018 DWTDWYJMRDUJTC-UHFFFAOYSA-N 374.297 2.613 50 50 FFGA Cc1cc(NNC(=O)[C@H](C(C)C)N2CCCC2=O)ccc1Br 114889088 GLTGMECOMIHALS-HNNXBMFYSA-N 368.275 2.848 50 50 FFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)[nH]n1 5126069 GJWOVELMTOHQFI-FYJGNVAPSA-N 363.421 2.915 50 50 FFGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 2836129 BWPOABBYLSXFRE-LFYWCISXSA-N 353.334 2.550 50 50 FFGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1cccc(O)c1)C(=O)N2 5613565 JQALZRTXWWMADX-UHFFFAOYSA-N 374.194 2.549 50 50 FFGA O=C(N/N=C/c1ccc(Br)cc1F)c1cc(O)ccc1O 13321389 VVBKPNVTXXBGGH-REZTVBANSA-N 353.147 2.763 50 50 FFGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Br)cc2)n[nH]1 5297256 WLYKGLAXHSZONR-VXLYETTFSA-N 370.210 2.998 50 50 FFGA O=C(N/N=C/c1cc(Br)ccc1O)c1n[nH]c2c1CCCC2 9184933 UJGFXGRNERDLJE-CAOOACKPSA-N 363.215 2.521 50 50 FFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1 4293269 CHMACPJYQHROPB-VCHYOVAHSA-N 360.211 2.846 50 50 FFGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)C12CC3CC(CC(C3)C1)C2 13125082 RCEHVTVSPJEBCX-UHFFFAOYSA-N 368.393 2.584 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)cc1O 2686212 AOYAOCBOGIJNKS-WVISFHDSSA-N 352.394 2.537 50 50 FFGA O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCc2c(Cl)cccc21 775694929 QLXLKSNKLRTKPZ-CYBMUJFWSA-N 355.785 2.958 50 50 FFGA Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 16677617 OPVIJXSFZGIMLN-KEBDBYFISA-N 350.378 2.869 50 50 FFGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1O 2568402 MVUXNMFYTFTTGS-CIAFOILYSA-N 363.373 2.643 50 50 FFGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 2571825 ISFCXWAVUWYSJC-HYARGMPZSA-N 360.417 2.995 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1OC 5445748 LKAHFMQSNMYNLH-VCHYOVAHSA-N 356.407 2.919 50 50 FFGA COc1cccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)c1 9088265 AKGOAONBNRXWAN-YBFXNURJSA-N 365.349 2.757 50 50 FFGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 16995562 CTAJFDLNNAXXBK-SRZZPIQSSA-N 368.368 2.997 50 50 FFGA Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1O 957878 RUHFLDHJZPGEEK-GIJQJNRQSA-N 363.211 2.992 50 50 FFGA CCNC(=S)NNC(=O)c1ccc(COc2ccccc2Cl)o1 6939347 ABYFXBGZMZYGKQ-UHFFFAOYSA-N 353.831 2.641 50 50 FFGA O=C(COc1ccccc1Cl)N/N=C/c1cc2ccccc2[nH]c1=O 2521660 JGUJTIWNPRQWRL-KEBDBYFISA-N 355.781 2.711 50 50 FFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc([N+](=O)[O-])ccc1O 36107687 QIWBCXKDSUMZKW-HNNXBMFYSA-N 355.350 2.751 50 50 FFGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(O)c(O)c1 863914 MSFPBEJRMJTOBA-CAOOACKPSA-N 359.432 2.950 50 50 FFGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c1 4210708 PWIRHNLLNPUSBK-WSDLNYQXSA-N 371.824 2.785 50 50 FFGA CC(C)[C@@H]1C(C#N)=C(N)Oc2nc(SCc3ccccc3)[nH]c(=O)c21 1148703 ABOUMNGMEJHJAA-CYBMUJFWSA-N 354.435 2.888 50 50 FFGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1 4326988 MSWKQBVYSJVCDQ-CIAFOILYSA-N 363.373 2.643 50 50 FFGA O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1 1193149 SBOBLCAYMSEWPV-PXLXIMEGSA-N 365.433 2.842 50 50 FFGA Cc1c(C(=O)NNC(=S)N[C@H](C)c2ccccc2)cccc1[N+](=O)[O-] 2851294 CSPOAXXAJBNSLN-GFCCVEGCSA-N 358.423 2.773 50 50 FFGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)ccc1O 2686195 CGOJXSWPRQLNCQ-HYLGSWLWSA-N 366.421 2.927 50 50 FFGA COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c(OC)c1 6736149 QODCKNCVMLKIJO-NTUHNPAUSA-N 352.346 2.978 50 50 FFGA COc1cc([C@@H]2O[C@@H]2C(=O)c2ccc(OO)cc2)c(OC)c2c1OCO2 253470504 ADUGDSIHXNPKIL-DOTOQJQBSA-N 360.318 2.607 50 50 FFGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1cnccn1 4229967 PMMLLCRILHAQPM-FOKLQQMPSA-N 364.336 2.599 50 50 FFGA COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccco2)C(C#N)=C(N)O3)c1 5074949 XFTVQBONBVUAIO-HNNXBMFYSA-N 364.361 2.905 50 50 FFGA CC[C@@H](C)NC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 2794079 GJCUELKYYDEPRY-MRVPVSSYSA-N 367.368 2.831 50 50 FFGA CSc1ccc(O[C@@H](C)C(=O)NNc2nc(-c3ccncc3)no2)cc1 364261841 SVCQEDSVCGQOAT-NSHDSACASA-N 371.422 2.764 50 50 FFGA N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NC[C@H]1CCCO1 853997 ZNLURJMGAXVKFW-IUYQLWOBSA-N 366.373 2.847 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 1226647 NLUJXFBYCIVYIX-DBRLUCFCSA-N 353.422 2.823 50 50 FFGA O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 1230147 OVQZLTURUJZRMX-UHFFFAOYSA-N 354.149 2.976 50 50 FFGA O=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 1230148 ZOYTYVSKLAVMIM-UHFFFAOYSA-N 354.149 2.976 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc3ccccc3oc2=O)c(OC)c1 652792 HNSDZTPELISQDI-RGVLZGJSSA-N 352.346 2.574 50 50 FFGA CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccccc1 863960 CTRCEGSLAUNYQO-WOJGMQOQSA-N 355.423 2.800 50 50 FFGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)c1 5313669 DXGMQSDQNLBWEF-UDWIEESQSA-N 350.378 2.858 50 50 FFGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1c(O)ccc2ccccc12 2553378 NQFGBFYGXZEVCT-FSJBWODESA-N 361.401 2.734 50 50 FFGA COc1ccc([C@@H]2[C@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@H]3C2(C#N)C#N)cc1 103406947 BKHVMBVGCPDUON-XUVXKRRUSA-N 370.412 2.822 50 50 FFGA CCOC(=O)[C@@]1(F)CN(Cc2ccccc2)C[C@]1(F)CBr 261509057 ZLUQUKXGDRXZNC-CABCVRRESA-N 362.214 2.877 50 50 FFGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1O 4360145 ARZJNXWLGYSROV-ZGXHQARYSA-N 373.365 2.617 50 50 FFGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)c1 2573364 JYHTWFFHBMBSFB-UFFVCSGVSA-N 365.311 2.803 50 50 FFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@@H]2C1 36289158 YFGUHYWOMGEAEG-UXHICEINSA-N 357.461 2.897 50 50 FFGA aggregator CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(O)c(OCC)c1 1227922 WFHMHOIXKYGBDF-MRXNPFEDSA-N 358.394 2.826 50 50 FFGA CN(Cc1nccs1)[C@@H]1CC12CCN(C(=O)C1=C(C#N)CCC1)CC2 952886986 GARZTOOORSZYOT-MRXNPFEDSA-N 356.495 2.960 50 50 FFGA COc1ccc(Cl)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5670769 BGIVNGLPJPOSPY-UHFFFAOYSA-N 366.717 2.922 50 50 FFGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 100151766 XDUPNUOZJANYNZ-LANLRWRYSA-N 364.405 2.831 50 50 FFGA CN(C)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 1199637 DTWMRSHMROVZEI-VCHYOVAHSA-N 362.227 2.985 50 50 FFGA CCOc1cc(/C=C(/C#N)C(=O)OC)c(Br)cc1OC(C)=O 6944147 WCJRNDBUFRXCEY-WZUFQYTHSA-N 368.183 2.853 50 50 FFGA C[C@H]1[C@H](OC(=O)N(C)C)[C@]2(CO)O[C@@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C 257357341 NNQZWDRPVUXHIT-NLIDSEJHSA-N 359.539 2.613 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 8970437 MXDBYTBIZBUHCD-YBFXNURJSA-N 365.349 2.757 50 50 FFGA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c(C)c1 239090981 HNVOSKZUPCGDGB-SLQSZJTJSA-N 364.239 2.813 50 50 FFGA CCn1c(SCC(=O)N/N=C/c2ccccn2)nnc1-c1ccccc1 863954 IEPAHPZOOBZFHT-UDWIEESQSA-N 366.450 2.602 50 50 FFGA COCCCNC(=O)/C(C#N)=C/c1ccccc1OCc1cccnc1 206954431 MGVMOVFYBFXXLZ-LDADJPATSA-N 351.406 2.720 50 50 FFGA Cc1cccc(C(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)c1 5519684 MAIOXCNAILGKMK-CYVLTUHYSA-N 372.222 2.868 50 50 FFGA Cc1cccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 239030903 CNZKMXHHLBQMEK-TVQXOTEMSA-N 350.212 2.505 50 50 FFGA C[C@H](Cl)C(=O)N[C@@H]1CCC2(C[C@@H]1OCc1ccccc1)OCCO2 1875380353 MHPODGMWFQVVHA-IMJJTQAJSA-N 353.846 2.611 50 50 FFGA CC1=C(C)C[C@@H](C(=O)NNC(=O)CCC2CCCCC2)[C@H](C(=O)O)C1 5841759 RVGNQXNWKYJLBS-HZPDHXFCSA-N 350.459 2.942 50 50 FFGA Cc1ccc(C(=O)N/N=C\c2c(O)ccc3cc([N+](=O)[O-])ccc23)cn1 19770868 WBKGPQUGBPWRKV-JMIUGGIZSA-N 350.334 2.921 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1 4327060 ODTVPPKCEWYOBW-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA C/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)c2ccnn2C)c1 5881749 NAHXAAFWBOERBB-UUYOSTAYSA-N 365.393 2.728 50 50 FFGA Cc1ccc(N2C(=O)C[C@H](N(Cc3ccccc3)C(=O)CCl)C2=O)cc1 217040146 HXTWTNNEPBRKBE-KRWDZBQOSA-N 370.836 2.895 50 50 FFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1O 2568401 QPSAHQHBJSMEQR-CIAFOILYSA-N 363.373 2.643 50 50 FFGA COc1cccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 946112 SBXNYASFDPFZGV-YBFXNURJSA-N 365.349 2.757 50 50 FFGA COc1cc(CCCI)c(OC)c2c1OCO2 1848444156 RBZUFWFPAQNBQA-UHFFFAOYSA-N 350.152 2.800 50 50 FFGA COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)O 15685634 RFWHSWAJKXBAJM-ZROIWOOFSA-N 352.346 2.704 50 50 FFGA Cc1nc(N2CCOCC2)sc1C(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1875390454 CPNXPBSVGVVGGE-AVHIKLNVSA-N 374.510 2.830 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1O 5670804 SIIJBOJUZHGCSK-CAOOACKPSA-N 365.183 2.633 50 50 FFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CCc3ccccc3)[C@H]2C1 36289160 YFGUHYWOMGEAEG-PMACEKPBSA-N 357.461 2.897 50 50 FFGA aggregator Cc1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c([N+](=O)[O-])c1 1228230 IJWXSUZEAQBMFD-KEBDBYFISA-N 366.377 2.924 50 50 FFGA COc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 5483935 LQMIZOPURGTMHX-UHFFFAOYSA-N 374.194 2.544 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc1 1816352 SJHKRMIAPMAEEO-UDWIEESQSA-N 350.378 2.858 50 50 FFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]n1 5402894 LFUWADLQENUQME-YBFXNURJSA-N 365.349 2.757 50 50 FFGA O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C1[C@H]2CCCC[C@H]12 1230005 ORPVYBUKBWJCGV-QWRGUYRKSA-N 357.237 2.956 50 50 FFGA COC(=O)c1ccccc1NC(=O)NNC(=O)c1ccc(Cl)s1 2853888 QVBJRZYZAZHTJX-UHFFFAOYSA-N 353.787 2.655 50 50 FFGA CN1CCN(C(=O)NNC(=O)c2ccc(Cl)cc2F)c2ccccc21 225644971 OBPQHEXYWCWHEZ-UHFFFAOYSA-N 362.792 2.790 50 50 FFGA Cc1cc(O[C@H](C)C(=O)N/N=C/c2ccccc2C(=O)O)ccc1[N+](=O)[O-] 17076056 UUYSWBCBSGZAHY-AINDZBIGSA-N 371.349 2.519 50 50 FFGA O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1Cc2cc(F)ccc2O1 170635765 QYVSESOQXXHZSW-IWGLNFRWSA-N 372.440 2.883 50 50 FFGA C[C@H](Cl)C(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1875370442 OUMLTUGPGDQWRD-SRVKXCTJSA-N 354.800 2.796 50 50 FFGA CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 664207 RJNHKVMCBCOYIL-NRFANRHFSA-N 363.417 2.658 50 50 FFGA Cn1c(=O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(O)c2ccccc21 101120126 MAQNHLCMEZUOOD-KEBDBYFISA-N 355.781 2.661 50 50 FFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)c(OC)c1OC 822988 OUUZFLSIDLGBDH-QFYYESIMSA-N 370.405 2.773 50 50 FFGA CCc1ccc(OCC(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 5586112 DVORZABBALVNLE-UHFFFAOYSA-N 374.422 2.554 50 50 FFGA C=CCOc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4209312 GEBAVZZGFVMCAL-WSDLNYQXSA-N 371.824 2.785 50 50 FFGA COc1ccc(/C=N/NC(=O)CCn2c(C)nc3ccccc32)cc1OC 1469546 DVEHSIMNLPSZHZ-FYJGNVAPSA-N 366.421 2.902 50 50 FFGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)Cc3cccs3)ccc12 2858402 UCDLZXDLYVXENU-UHFFFAOYSA-N 373.459 2.723 50 50 FFGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccccc1 5442603 VTWIAHGCMLNWKB-UHFFFAOYSA-N 358.195 2.844 50 50 FFGA CCCc1ccc(OCC(=O)NNC(=O)COc2cc(C)cc(C)c2)cc1 1800465 BNFGNZJZFZSPKS-UHFFFAOYSA-N 370.449 2.861 50 50 FFGA C[C@H]1CCc2c(C(=O)NNC(=O)CC(C)(C)CC(=O)O)csc2C1 6824544 JDIBAVNPMPRGCN-JTQLQIEISA-N 352.456 2.525 50 50 FFGA Cc1cc(Cl)ccc1OCC(=O)N/N=C1/C(=O)N(C)c2ccccc21 100436102 WSIHHSZXXYYFJA-HEHNFIMWSA-N 357.797 2.524 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)c(O)c1 844780 FZVINXWDLGFIBF-WSDLNYQXSA-N 365.437 2.738 50 50 FFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1Cl 19833707 VOJWBWSQEOGCSO-HYARGMPZSA-N 370.884 2.608 50 50 FFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)c1 3008909 ASZZVZNZFGTBKY-VCHYOVAHSA-N 360.211 2.846 50 50 FFGA O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 246335493 LJZOJYZAQFTCBS-PWIZWCRZSA-N 372.428 2.907 50 50 FFGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(CN2CCOCC2)cs1 19874020 HAQNOMZRGLUOLH-GOSISDBHSA-N 369.446 2.504 50 50 FFGA Cc1ccc(S(=O)(=O)N2C=C[C@@H]3C(=O)[C@H](Br)CC[C@H]32)cc1 103053210 BHBKROHWTGHOGA-BFHYXJOUSA-N 370.268 2.624 50 50 FFGA Cc1ncc(CSSCc2cnc(C)c(O)c2CN)c(CN)c1O 3140762 ICRVGGMUHSQAEO-UHFFFAOYSA-N 366.512 2.504 50 50 FFGA COc1ccccc1CC(=O)NNC(=O)[C@@]1(C)CCCc2ccccc21 154738934 SWVUTADWMVAQDB-NRFANRHFSA-N 352.434 2.679 50 50 FFGA COc1cc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)ccc1O 2374559 FHOULSMWJGKZMB-IMRMQAIZSA-N 352.394 2.537 50 50 FFGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3CCCC[C@H]3C(=O)O)csc2C1 239030856 CLIRJPAMEQUPHQ-KGYLQXTDSA-N 364.467 2.525 50 50 FFGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc(OC)c1O 5400288 YUAVHVNLCRCHOG-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA Cn1cc(-c2cccc(C(=O)NCCSSCCC(=O)O)c2)cn1 1875388508 DVUWRRRGLXFDJR-UHFFFAOYSA-N 365.480 2.673 50 50 FFGA Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17073154 XKTFFMWIODJWPQ-GJZGRUSLSA-N 353.378 2.680 50 50 FFGA CCC(C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1 43761294 HRTSWISKSPFLNV-LCHFAGMQSA-N 372.375 2.591 50 50 FFGA CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OCC 1472196 NZZCWYPSGMXMDD-INIZCTEOSA-N 368.389 2.964 50 50 FFGA CCc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1002214 DVIPTSFIYSJOPZ-CYBMUJFWSA-N 371.393 2.694 50 50 FFGA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CI)O2 91302507 BYWOAGRBPWRFSD-JTQLQIEISA-N 367.227 2.980 50 50 FFGA in-vitro CCOc1cc(/C=N/NC(=O)CCn2cnc3ccccc32)ccc1O 2378158 XZEAYNCALJUZAF-CIAFOILYSA-N 352.394 2.681 50 50 FFGA O=C(Nc1ccccc1Cl)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239310291 IHRKASQQGMYREB-AJCKKNKHSA-N 370.630 2.850 50 50 FFGA CCOc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1OCC 1191710 RJONHLUUVPCRET-RGVLZGJSSA-N 360.439 2.516 50 50 FFGA CCN1C(=O)N(CC(=O)Cl)C(c2ccccc2)(c2ccccc2)C1=O 44125580 PRYIRGPTMBEWMZ-UHFFFAOYSA-N 356.809 2.980 50 50 FFGA CCn1nc(C(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c2ccccc2c1=O 1875390414 SLSZQDXALWACFS-JJTFBNEZSA-N 364.449 2.958 50 50 FFGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2c[nH]c3ccccc23)cc1 2853068 OTVOWDYPAFIWAK-UHFFFAOYSA-N 366.377 2.811 50 50 FFGA COc1ccc([C@@H]2[C@@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@@H]3C2(C#N)C#N)cc1 4957403 BKHVMBVGCPDUON-AQNXPRMDSA-N 370.412 2.822 50 50 FFGA CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21 664205 RJNHKVMCBCOYIL-OAQYLSRUSA-N 363.417 2.658 50 50 FFGA CCCCCC(=O)[C@@H]1[C@@H]2C[C@H]3[C@@H]1C(=O)O[C@H]3[C@H]2I 101371566 DRUUUGNRJPYSDE-BEQXCEGASA-N 362.207 2.747 50 50 FFGA CCOc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1O 2790530 VAJJUNVAGJWTJZ-LZYBPNLTSA-N 353.172 2.910 50 50 FFGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)CCC2CCCCC2)C1 5841812 RVGNQXNWKYJLBS-JKSUJKDBSA-N 350.459 2.942 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1 5402640 LNLRYTSDAHDVJS-UDWIEESQSA-N 350.378 2.858 50 50 FFGA O=C(NN[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1)c1ccncc1 334163167 NDYWIJOSTOXKRU-FQEVSTJZSA-N 372.428 2.713 50 50 FFGA CCCN1C(=O)/C(=N/NC(=O)COc2ccccc2Cl)c2ccccc21 18142181 KWNKABIVYOMASG-RELWKKBWSA-N 371.824 2.996 50 50 FFGA N#C/C(=C\NCCO)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100471130 QNJJRHUCQALJLT-FCDQGJHFSA-N 373.416 2.927 50 50 FFGA CC(C)(C)OC(=O)N1CCC(N(C(=O)CCl)C2CCOCC2)CC1 1875379462 QTTYCIGFNNRYIQ-UHFFFAOYSA-N 360.882 2.632 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Cl)ccc1O 3081755 DRRLVVRCTFKPAT-DNTJNYDQSA-N 366.204 2.579 50 50 FFGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1ccccc1Cl 33958669 ALGDPQMZSRSCJV-XDHOZWIPSA-N 357.801 2.656 50 50 FFGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccccc2O)[nH]n1 6691454 CKRJRBHQPWRVKD-UDWIEESQSA-N 350.378 2.945 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@]12C(=O)Nc1ccccc12 718476 ZWEALYKPYRAZHC-HXUWFJFHSA-N 373.347 2.540 50 50 FFGA CCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 6517347 MVFBBTBSBJLIEK-UHFFFAOYSA-N 365.462 2.816 50 50 FFGA CCc1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239174419 PZTJVLUTSZLBNQ-NCPBCQDQSA-N 364.239 2.759 50 50 FFGA COc1c(CCCI)cc2c(c1OC)OCO2 1848444203 VLIDSELSQWDJKH-UHFFFAOYSA-N 350.152 2.800 50 50 FFGA CCCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)c2ccccc21 1420900 QLUMOHBFVQLDDJ-XUSGNXJCSA-N 363.417 2.658 50 50 FFGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 4302523 DHASLUMNDHFKIA-YDZHTSKRSA-N 371.412 2.885 50 50 FFGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1 4260861 OQXBMWHDTHVGHR-WSDLNYQXSA-N 371.824 2.785 50 50 FFGA O=C(COc1ccc(Br)cc1)NNC(=O)Nc1ccccc1 937125 YGNJQMUJPZIZMY-UHFFFAOYSA-N 364.199 2.681 50 50 FFGA O=C(O)[C@@H](Br)[C@@H](Br)c1ccccc1[N+](=O)[O-] 1557411 ZZBGCCIQPYEBFF-YUMQZZPRSA-N 352.966 2.879 50 50 FFGA in-vitro CN1C(=O)/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21 100036363 QFAFQKXVZRZBNR-ATJXCDBQSA-N 359.385 2.716 50 50 FFGA CCCc1n[nH]c2c1[C@@H](c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2 9070102 WBGMIDOEBOZSDI-INIZCTEOSA-N 370.409 2.606 50 50 FFGA Cn1cc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc21 6614973 XBLUXMAPZAGZNA-UFWORHAWSA-N 366.333 2.579 50 50 FFGA CC1(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)OCCO1 1058621 HEQDABHYQMIHKC-KGENOOAVSA-N 354.406 2.869 50 50 FFGA O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCc2c(Cl)cccc21 775694934 QLXLKSNKLRTKPZ-ZDUSSCGKSA-N 355.785 2.958 50 50 FFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1Cl 4209706 MVYAKJWHJCGXFP-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cc2ccccc2[nH]c1=O 4229179 BCQAKVCTKMIMOV-KEBDBYFISA-N 355.781 2.711 50 50 FFGA C/C(=N\NC(=O)C(=O)N/N=C(\C)c1ccc(C)cc1)c1ccc(C)cc1 4955507 XDLPREXJMOOEAH-YHARCJFQSA-N 350.422 2.684 50 50 FFGA CCC(CC)n1ccc(C(=O)N2CC[C@@H](C)[C@H](CNC(=O)CCl)C2)n1 1875383620 ASYWIMPTZIUQGE-ZIAGYGMSSA-N 368.909 2.697 50 50 FFGA COc1nn([C@H](C)C(=O)N/N=C/C(C)=C/c2ccccc2)cc1[N+](=O)[O-] 2090212 FCILRMDYUMKCTN-YXPKBAGISA-N 357.370 2.566 50 50 FFGA Cc1ccc(C)c(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 245310392 ISDLBGMHZQLDRI-NCPBCQDQSA-N 364.239 2.813 50 50 FFGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 1213983 QTGXLRKEBRDOFI-ACRNLXFHSA-N 364.361 2.569 50 50 FFGA COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1 16677445 WPJXJLMEGWMPNA-GHXNOFRVSA-N 369.333 2.863 50 50 FFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OC 4311934 DBNFMPUTACUJFJ-CQSZACIVSA-N 354.410 2.943 50 50 FFGA COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1 4261001 WQTBKIXFCTWOPU-YDZHTSKRSA-N 361.401 2.729 50 50 FFGA COC(=O)N/N=C(/C[C@H]1C(=O)Oc2ccccc21)c1cccc([N+](=O)[O-])c1 5675129 ANMGOOUPCHCNQM-FJAMSSDQSA-N 369.333 2.748 50 50 FFGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OC 1227940 QFJWOJVNKMYNQP-MRXNPFEDSA-N 354.362 2.574 50 50 FFGA Cn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21 945950 IIMWZQLJEQBYEC-VCHYOVAHSA-N 369.406 2.724 50 50 FFGA CC(=O)O[C@H]1[C@H]2C[C@@H]([C@H]1Br)C(C(F)(F)F)(C(F)(F)F)N2 36104686 FCKCEYSPFMHAJD-WNJXEPBRSA-N 370.087 2.537 50 50 FFGA CC[C@@H](NC(=O)[C@@H](C)Cl)c1ccccc1OCC(=O)N1CCCC1 1875363765 YIALORLPSGCBDA-UKRRQHHQSA-N 352.862 2.882 50 50 FFGA COc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 1234697 ZGXRQOUEAOVGBX-VXLYETTFSA-N 357.366 2.749 50 50 FFGA O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)c1cccnc1 5649956 FLQLWPKCEKXFFF-GFMRDNFCSA-N 370.412 2.805 50 50 FFGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1O 5295375 JUDPRIHKJZLGJS-UDWIEESQSA-N 350.378 2.945 50 50 FFGA CCC(CC)n1ccc(C(=O)N2CC[C@H](C)[C@@H](CNC(=O)CCl)C2)n1 1875383617 ASYWIMPTZIUQGE-KBPBESRZSA-N 368.909 2.697 50 50 FFGA CCOc1ccc(Br)cc1/C=N/NC(=O)c1snnc1C 5673708 GJNHJBUAHDKDSW-VIZOYTHASA-N 369.244 2.772 50 50 FFGA COCc1nc(Cl)cc(NNC(=O)c2ccc(N3CCC(C)=N3)cc2)n1 225580154 FOZMKZLHXQQWIH-UHFFFAOYSA-N 374.832 2.619 50 50 FFGA COc1ccccc1NC(=S)NNC(=O)CSCc1ccccc1 6298613 JPDYJJRRTBASLI-UHFFFAOYSA-N 361.492 2.946 50 50 FFGA O=C(Nc1cccc(Cl)c1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239105309 IFAQTGVULZCIDC-DZDPUUJWSA-N 370.630 2.850 50 50 FFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 4229901 DKWWGILMQIGMFB-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1OC 822991 SQVQEPYBUYDLRQ-MGNBDDOMSA-N 370.405 2.773 50 50 FFGA Cc1cc(C)c2c(CC(=O)NNC(=O)COc3ccccc3)coc2c1 4821479 YIFLWNWEEFNDDA-UHFFFAOYSA-N 352.390 2.819 50 50 FFGA COc1ccc([C@H](Br)[C@H](Br)C(=O)O)cc1OC 2164033 ZUYVAEFYQVUCEP-UWVGGRQHSA-N 368.021 2.988 50 50 FFGA Cc1ccc(C(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 6211508 AZUJSONAJYIKIU-UHFFFAOYSA-N 351.450 2.668 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cc1 5314405 AFCGAWZZJQGNNV-KEBDBYFISA-N 364.361 2.578 50 50 FFGA O=C(N/N=C/c1cccs1)C(=O)Nc1ccc(Br)cc1 2571791 JMTKWVCMIPTPQZ-OVCLIPMQSA-N 352.213 2.599 50 50 FFGA Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)c1ccccc1Br 5520580 BVIYOHVJMQMPKZ-RGEXLXHISA-N 372.222 2.868 50 50 FFGA N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@H]1c1ccco1 9015426 JWKYTBZRYFGYIS-CQSZACIVSA-N 367.430 2.668 50 50 FFGA CCC(=O)Oc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 17076058 WPNJDGSECBZKFR-YBFXNURJSA-N 371.349 2.683 50 50 FFGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(O)cc1O 799101 XJVQFCXKSFNHSO-CAOOACKPSA-N 359.432 2.950 50 50 FFGA COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1O 5206258 MRSLKOKRSOHTHX-CAOOACKPSA-N 365.183 2.633 50 50 FFGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(O)cc1O 2521691 XZGLVVZJWVGJKZ-CNHKJKLMSA-N 355.177 2.934 50 50 FFGA CN(C)NC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4750968 RDVACZXXJHWOFD-DIKOGFFKSA-N 355.482 2.594 50 50 FFGA C/C(=N/NC(=O)c1ccn(C)n1)c1ccc(NC(=O)C2CCCC2)cc1 673011 OVGFYXIJZVTFSU-BKUYFWCQSA-N 353.426 2.703 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3)[nH]n2)cc1 1818605 LGOAZTVHXDPVOU-UDWIEESQSA-N 350.378 2.858 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)CCn2c(C)nc3ccccc32)cc1 1469544 CSZMGUZVXTUOKS-FYJGNVAPSA-N 364.405 2.672 50 50 FFGA CC1(C)Cc2cccc(OCC(=O)NNC(=O)Nc3ccccc3)c2O1 2562003 DTSJXVMECZUDBW-UHFFFAOYSA-N 355.394 2.632 50 50 FFGA COc1cccc([C@H]2[C@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 19805307 MHBOIAHUVWGPEG-PMACEKPBSA-N 373.460 2.829 50 50 FFGA CC(CC(=O)Nc1ccc(Cl)cc1Cl)=NNC(=O)c1cnccn1 252679935 TXGGRCYOIHKRKI-UHFFFAOYSA-N 366.208 2.918 50 50 FFGA O=C(N/N=C/c1ccccc1O)c1cccc(I)c1 833003 VOPGDBPTKOXNFZ-CXUHLZMHSA-N 366.158 2.761 50 50 FFGA Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 239306016 GIADFOWGSIJLCB-TVQXOTEMSA-N 350.212 2.505 50 50 FFGA CCOc1ccc([C@H]2[C@H]3CN(CC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 850204 YSWLRXSYQZAMDH-PMACEKPBSA-N 373.460 2.831 50 50 FFGA O=C(N/N=C/c1ccc(I)cc1)c1ccccc1O 1230044 HDFJXGCPJXWADL-CXUHLZMHSA-N 366.158 2.761 50 50 FFGA COc1cc(OC)c(/C=N/NC(=O)Cc2c[nH]c3ccccc23)c(OC)c1 43761357 QSUBXANBWNEDHJ-WSDLNYQXSA-N 367.405 2.887 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1OC 1228366 AWOQUWCESZKWQO-OAHLLOKOSA-N 358.394 2.739 50 50 FFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc(Cl)ccc1O 4209384 FKDDHWMSJQBLCT-DNTJNYDQSA-N 366.204 2.579 50 50 FFGA O=S(=O)(N[C@@H](CBr)Cc1ccccc1)c1ccccc1 3137048 PDGDGVSBIOFJFU-CQSZACIVSA-N 354.269 2.971 50 50 FFGA CCOC(=O)/C(C#N)=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1 2380982 RBNKHPIGKQKVKH-OUKQBFOZSA-N 353.344 2.798 50 50 FFGA CCC(C(=O)N/N=C/c1cccc(C)c1)C(=O)N/N=C/c1cccc(C)c1 39959622 RTWDYDZTGJZZRY-MSKUYSOUSA-N 364.449 2.930 50 50 FFGA O=S(=O)(CCCCCl)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 285428364 WJTBPXOENUTOTD-ZACQAIPSSA-N 357.903 2.840 50 50 FFGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)[C@H](C#N)C12CCCC2 17029392 JMFDYDJFCJEBIT-AWEZNQCLSA-N 366.446 2.923 50 50 FFGA NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 1069037 MORLFGFQRGLQGE-GXSJLCMTSA-N 359.739 2.800 50 50 FFGA CCc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 32625343 HWDCCBUXCADILZ-RIWZNOJBSA-N 365.433 2.761 50 50 FFGA CCOC(=O)[C@@H](Br)CCC[C@H](Br)C(=O)OCC 1688334 SPJSPERKKWTTBF-IUCAKERBSA-N 374.069 2.810 50 50 FFGA in-vitro Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 239306017 GIADFOWGSIJLCB-UQPQVDFHSA-N 350.212 2.505 50 50 FFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(C(=O)O)cc1 863778 ROZGTBWKROOZBV-GIJQJNRQSA-N 354.391 2.504 50 50 FFGA O=C(N/N=C1\CCSc2ccc(Br)cc21)[C@H]1CCCO1 222145692 LITOFFRBSUJCSU-PILJQMSFSA-N 355.257 2.944 50 50 FFGA COc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc(OC)c1OC 1233763 ZDHPCTUSRCCNID-PVIYQOPSSA-N 354.406 2.966 50 50 FFGA COc1ccc([C@@H]2[C@@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@H]3C2(C#N)C#N)cc1 3179258 BKHVMBVGCPDUON-ZCNNSNEGSA-N 370.412 2.822 50 50 FFGA O=C(O)CCSSCCNC(=O)c1cccc(OC(F)F)c1 1875388943 WDJMRSSMRYVQDX-UHFFFAOYSA-N 351.396 2.874 50 50 FFGA C/C(=N\NC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1 4990046 QVGUUPHJZMHBHM-UDWIEESQSA-N 374.238 2.719 50 50 FFGA COc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(O)cc3)c2C)cc1 730084 AAKCTJURVRSPNU-RGVLZGJSSA-N 350.378 2.863 50 50 FFGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4cccc(F)c4)[C@H]3[C@H]1CC2 230187573 HSQSGIPRWNRTCY-UTRMSSBJSA-N 359.408 2.712 50 50 FFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c(OC)c1 9067851 XWXMVZOYCQWCDF-CQSZACIVSA-N 354.410 2.943 50 50 FFGA O=C(Nc1ccccc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239310292 IHRKASQQGMYREB-BOCQSXMYSA-N 370.630 2.850 50 50 FFGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cnccn3)cc2)cc1 4210293 ZQUSSFRMHFBVKF-FSJBWODESA-N 360.373 2.768 50 50 FFGA CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 4366548 OADMSAQWDACPQT-KZKLBEMASA-N 357.366 2.911 50 50 FFGA CC1=C(C(=O)OCCCBr)[C@H](c2ccccc2)NC(=O)N1 4065388 PVBPUWBDTWUDLA-ZDUSSCGKSA-N 353.216 2.643 50 50 FFGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2cnccn2)cc1 4229805 VFRUWNOASMSEIA-AGPUXGRSSA-N 372.384 2.859 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cc(OC)ccc1OC 729235 DSVMOENBTNKAQA-INIZCTEOSA-N 358.394 2.739 50 50 FFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1[N+](=O)[O-] 857107 ZVKSQQNYRPFYOQ-OAHLLOKOSA-N 361.313 2.919 50 50 FFGA CCOc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 32625346 VLRWCHUISUKXQQ-VYZAVGSRSA-N 365.433 2.897 50 50 FFGA COc1ccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 1010272 JZTJIOHZMVBART-SFHVURJKSA-N 366.465 2.908 50 50 FFGA Cc1ccc(S(=O)(=O)NNC(=O)C23CC4C[C@H](CC[C@@H](C4)C2)C3)cc1 100809999 OLWHVTKPNBOHAP-RXDZZFBJSA-N 362.495 2.911 50 50 FFGA COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(OC)c2c(c1)OCCO2 253471360 QDTDKEIWTFANCC-SFHVURJKSA-N 366.373 2.693 50 50 FFGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 3101271 NFLLDJNCSPCFOH-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1[N+](=O)[O-] 945533 ICFCHCUWBYQHOR-RQZCQDPDSA-N 355.379 2.714 50 50 FFGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1Cl 841791 BIADYJIESJHNFE-INIZCTEOSA-N 361.854 2.843 50 50 FFGA N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(Br)cc1 1234811 HVDIUIOBRLTFPA-VXLYETTFSA-N 358.195 2.850 50 50 FFGA Cn1c(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])nc2ccccc21 8642786 DOJIIFHPJQHSSE-VCHYOVAHSA-N 369.406 2.724 50 50 FFGA C[C@@H](Cl)C(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 1875363823 AYMDOGYYKUYRGF-GFCCVEGCSA-N 368.890 2.502 50 50 FFGA Cc1cccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c1 5519681 YWWJZCUFLCOAJC-UHFFFAOYSA-N 358.195 2.844 50 50 FFGA NC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 979534 MPLYKJIYKUBPRF-GIJQJNRQSA-N 362.183 2.671 50 50 FFGA Cc1cc([N+](=O)[O-])nn1CC(=O)NN=Cc1c(Cl)cccc1Cl 245226201 KKTWVYNOCJUUPH-UHFFFAOYSA-N 356.169 2.557 50 50 FFGA C=CCc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1O 4260279 KGWLHMYNDQERPR-SSDVNMTOSA-N 371.824 2.654 50 50 FFGA O=C(NNC(=O)C1CCN(C/C=C/c2ccccc2)CC1)c1cccs1 1399102 RVSAQQILTYLTLO-XBXARRHUSA-N 369.490 2.935 50 50 FFGA COc1[nH]c(=O)c(C(=O)[C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c(O)c1OC 14262625 OVULNOOPECCZRG-CIUDSAMLSA-N 366.241 2.789 50 50 FFGA biogenic,in-vivo Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 2571772 NEJJFMNGBJOAKD-VCHYOVAHSA-N 360.211 2.846 50 50 FFGA CS/C(NCCN1CCOCC1)=C(/C#N)C(=O)c1ccc(Cl)cc1 100381875 YOSACXSWTIOEMT-ICFOKQHNSA-N 365.886 2.543 50 50 FFGA N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1ccco1 1229145 DYAHNNQSIHWHBW-CYBMUJFWSA-N 353.403 2.990 50 50 FFGA CC(C)Oc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 1258093 WMELSCAJBYBOTC-VQTJNVASSA-N 373.460 2.829 50 50 FFGA C=CCNC(=S)NNC(=O)CCn1c2ccccc2c2ccccc21 2898103 QDLODUDGJRISGF-UHFFFAOYSA-N 352.463 2.866 50 50 FFGA Cc1ccc(/C=N/NC(=O)c2cccc(I)c2)o1 832993 RKKWSUPMQDQUFO-OVCLIPMQSA-N 354.147 2.957 50 50 FFGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 2520982 QXDXWPFPFVDXFP-HNNXBMFYSA-N 366.812 2.763 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c(O)c1 4526252 PIYHONQDKIAGCM-UDWIEESQSA-N 357.458 2.661 50 50 FFGA CC(=O)c1cccc(NC(=S)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 13497332 XYXISLWWQTUTBI-UHFFFAOYSA-N 372.406 2.737 50 50 FFGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 2553399 KTSORXDGFNUZCA-VXLYETTFSA-N 374.784 2.899 50 50 FFGA C=C[Si]1(C)O[Si@](C)(c2ccccc2)O[Si@@](C)(c2ccccc2)O1 1857666275 JVTCROWLIQGSCT-GOTSBHOMSA-N 358.618 2.805 50 50 FFGA CCCc1[nH]nc2c1[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 4813473 ZCJRHDMTNPCAHD-CQSZACIVSA-N 370.409 2.606 50 50 FFGA CC(C)(C)NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1 2912715 UVQIUDJDMDPLIV-FYJGNVAPSA-N 353.422 2.630 50 50 FFGA O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccncc1 100488490 HWVSLJFEKQWPEP-FCDQGJHFSA-N 356.385 2.763 50 50 FFGA CCC(C(=O)N/N=C/c1cccc(F)c1)C(=O)N/N=C/c1cccc(F)c1 39959623 RZHNNCZKPSPQMN-LCHFAGMQSA-N 372.375 2.591 50 50 FFGA O=C(Cc1ccccc1)N/N=C/c1cccc(I)c1 820573 IBDVHQFHZUKQDC-GZTJUZNOSA-N 364.186 2.984 50 50 FFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(F)cc2)n[nH]1 2367298 JIXHCDCHOHZLKY-VXLYETTFSA-N 353.313 2.888 50 50 FFGA Cc1ccccc1C(=O)NNC(=O)COc1ccc(Br)cc1 939542 HBOJXDKQOWPKQI-UHFFFAOYSA-N 363.211 2.598 50 50 FFGA CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)CCCC(=O)O)csc2C1 2113281 MUHLGECBCKHBKS-LLVKDONJSA-N 366.483 2.915 50 50 FFGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3CCCC[C@@H]3C(=O)O)csc2C1 6468286 CLIRJPAMEQUPHQ-WXHSDQCUSA-N 364.467 2.525 50 50 FFGA CCO[Si](/C=C/[Si](OCC)(OCC)OCC)(OCC)OCC 195844485 BTLPDSCJUZOEJB-BUHFOSPRSA-N 352.576 2.718 50 50 FFGA Cc1cc(Br)c(OCc2cccc(Cl)c2)c(B(O)O)c1 169746569 GKYZLQGDWVHPPQ-UHFFFAOYSA-N 355.424 2.670 50 50 FFGA in-vitro O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 2858997 KRXQGAUDGYZEJM-UHFFFAOYSA-N 356.816 2.941 50 50 FFGA Cn1nccc1[C@@H]1CC/C(=N\NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 1875279772 CSIPGSBQWDUELG-TWMLVTDPSA-N 352.438 2.938 50 50 FFGA CNC(=S)NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 7059937 MRYVZMQERRZEHQ-UHFFFAOYSA-N 355.419 2.751 50 50 FFGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cccnc1 4210289 ZAHFKEOUNYCLIT-ZVBGSRNCSA-N 372.837 2.830 50 50 FFGA CCCCn1c(=O)c(C(=O)N/N=C/c2ccncc2)c(O)c2ccccc21 101123490 NYIYVRIHWQAJSZ-LPYMAVHISA-N 364.405 2.666 50 50 FFGA Cc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c1 3152684 AUDBOLQUJDBJTH-GIJQJNRQSA-N 363.211 2.992 50 50 FFGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1ccc(C)cc1Cl 6272040 CPSUUXZRCYVWHR-DEDYPNTBSA-N 371.828 2.964 50 50 FFGA C=C[Si@@]1(C)O[Si@](C)(c2ccccc2)O[Si@](C)(c2ccccc2)O1 1857666276 JVTCROWLIQGSCT-WBDAEOGXSA-N 358.618 2.805 50 50 FFGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OC 1227941 QFJWOJVNKMYNQP-INIZCTEOSA-N 354.362 2.574 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1OC 1227975 DNAXZJYEKRJQDB-INIZCTEOSA-N 358.394 2.739 50 50 FFGA O=C(N/N=C/c1ccccc1O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1212025 XLIBHKPWINMMPF-RNDVCUHJSA-N 357.797 2.549 50 50 FFGA Cc1nnsc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 5792595 WJIURPWKVNZWMV-YBFXNURJSA-N 366.402 2.830 50 50 FFGA C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 4756446 RZMSQPOMEUJHQR-LDADJPATSA-N 372.337 2.731 50 50 FFGA O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccco1 1959990 NBYFGRLGEZELIX-LICLKQGHSA-N 364.199 2.911 50 50 FFGA O=C(O)CCSSCCNC(=O)c1ccc(-c2cc[nH]n2)cc1 1875388910 VHTWKZJMLGLOOI-UHFFFAOYSA-N 351.453 2.663 50 50 FFGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1cc(Cl)ccc1Cl 2379943 RSWOHJATKZYBKM-QGMBQPNBSA-N 352.177 2.788 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 17145891 XSDTUPOZZZNUOJ-YBFXNURJSA-N 365.349 2.757 50 50 FFGA CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 4372884 VMTRDBDEYVYZMK-HCZVKUGISA-N 357.366 2.911 50 50 FFGA O=C(N/N=C/c1ccc[nH]1)/C(=C\c1cccs1)NC(=O)c1ccccc1 2934122 ACAYBDPTMYIHFY-ZQWOEWKVSA-N 364.430 2.997 50 50 FFGA CC(C)(C)OC(=O)N1CCC(C2(CNC(=O)CCl)CCOCC2)CC1 1875370513 ROGHUUWLBFYRSK-UHFFFAOYSA-N 374.909 2.785 50 50 FFGA O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccc(F)c(Cl)c1 2854115 KWZCGVHYBVWGGP-UHFFFAOYSA-N 366.736 2.783 50 50 FFGA COc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1OC(C)=O 4963636 PHGZIPOMAWNUQL-VJNOGQACSA-N 352.390 2.874 50 50 FFGA CC1=C(C)/C(=N/OS(=O)(=O)c2ccccc2)[C@H](Cl)[C@@H](Cl)C1=O 111915144 OYWDQWATOQHBBL-HBGZKMQYSA-N 362.234 2.882 50 50 FFGA O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 2892248 PEDBNICZBRHXMA-KEBDBYFISA-N 350.205 2.760 50 50 FFGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 4292370 MXRCYNNNJVNWQB-AUEPDCJTSA-N 363.339 2.894 50 50 FFGA COC(=O)c1cc(OC)cc(OC)c1C1C(C#N)=C(C)NC(C)=C1C#N 632334 ZJZUKOVDMRPJIF-UHFFFAOYSA-N 353.378 2.772 50 50 FFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 843924 PFJWXYIOHIWMLK-HNNXBMFYSA-N 361.313 2.919 50 50 FFGA CCOc1ccccc1[C@H]1[C@H]2CN(CC)CC=C2C(C#N)=C(N)C1(C#N)C#N 4473389 PMEXMNKXPJVPRR-ICSRJNTNSA-N 373.460 2.831 50 50 FFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC)cc1 4282101 FSCGBWVYTWJOBC-DEDYPNTBSA-N 355.394 2.573 50 50 FFGA COc1ccc(OC)c(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)c1 4813464 LZQPJUJZZZFBGX-JAIQZWGSSA-N 352.394 2.732 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1Br 1213864 YKHCPCRMXUIMRV-BFERYNQYSA-N 363.211 2.641 50 50 FFGA CCOC(=O)[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])o1 6758264 FSVYWPLKNUMDGN-JGVFFNPUSA-N 370.981 2.950 50 50 FFGA C/C(=N\NC(=O)c1ccc(C)o1)c1ccc(NC(=O)CCCC(=O)O)cc1 17076064 SOTKUTIZHVVHBX-FYJGNVAPSA-N 371.393 2.935 50 50 FFGA COc1cc(/C=N/NC(=O)c2ccoc2C)cc(Br)c1O 1192381 XLBVSAOIUVJHCC-FRKPEAEDSA-N 353.172 2.829 50 50 FFGA COc1cccc([C@@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 13471511 MHBOIAHUVWGPEG-WOJBJXKFSA-N 373.460 2.829 50 50 FFGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1 4372712 OZRJNIRUWFYJCU-UDWIEESQSA-N 358.394 2.806 50 50 FFGA Cc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1 5600750 XYZLGHCMHGOAQH-CIAFOILYSA-N 364.405 2.724 50 50 FFGA O=C(/C(=C(/C(Cl)Cl)N1CCCCC1)[N+](=O)[O-])N1CCCCC1 2842922 KCBPJPXQLGCYPI-VAWYXSNFSA-N 350.246 2.777 50 50 FFGA COC[C@@H](CCl)OC(=O)Cn1c(=O)sc2cccc(Cl)c21 5669850 LYPPTLHZXOKMLV-MRVPVSSYSA-N 350.223 2.513 50 50 FFGA C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 4261145 GYFPPSOGSHNJMH-UDWIEESQSA-N 357.797 2.994 50 50 FFGA C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1 2903625 MAEPTYNSAHWIMW-ZGXHQARYSA-N 374.238 2.777 50 50 FFGA COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1OC 822992 SQVQEPYBUYDLRQ-YPMLDQLKSA-N 370.405 2.773 50 50 FFGA O=C(N/N=C/c1nc2ccccc2[nH]1)C(O)(c1ccccc1)c1ccccc1 13230164 DSKUGNCVPDUEMX-HZHRSRAPSA-N 370.412 2.949 50 50 FFGA CCc1c(OC)ccc(/C=N/NC(=O)COc2ccccc2OC)c1OC 1194463 OTHFUQCNYOSYBA-CIAFOILYSA-N 372.421 2.804 50 50 FFGA CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C(C)(C)C 2883271 YVYOMUKKFUFQJK-GFCCVEGCSA-N 365.499 2.647 50 50 FFGA C[C@@H]1[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@](CO)(O2)[C@@H]1OC(=O)N(C)C 257357339 NNQZWDRPVUXHIT-GODIYZJISA-N 359.539 2.613 50 50 FFGA CC(C)(C)OC(=O)N1C[C@@H](CI)OCC12CCC2 1772717613 QAQGYRHHTRGOTI-SNVBAGLBSA-N 367.227 2.980 50 50 FFGA C[C@H]1CN(C)CCN1c1ccc(Br)cc1NC(=O)CCl 2325890212 HZGPVLHLTUMBDV-JTQLQIEISA-N 360.683 2.767 50 50 FFGA Cc1ccc(C)c(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 245310394 ISDLBGMHZQLDRI-SLQSZJTJSA-N 364.239 2.813 50 50 FFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C)o2)cc1 4282544 HALASGFBJSMXLF-CIAFOILYSA-N 357.410 2.647 50 50 FFGA O=C(NNC(=S)NC1CCCCC1)c1cc(Br)ccc1O 2857619 XZGHPQWKLOVYRY-UHFFFAOYSA-N 372.288 2.596 50 50 FFGA Cc1cc(C)n2nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)nc2n1 4469861 WTTXHDLZMBDECW-WSVATBPTSA-N 363.208 2.812 50 50 FFGA Cc1ccc(N2C(=O)C[C@@H](N(Cc3ccccc3)C(=O)CCl)C2=O)cc1 217040109 HXTWTNNEPBRKBE-QGZVFWFLSA-N 370.836 2.895 50 50 FFGA Cc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1 239030902 CNZKMXHHLBQMEK-KJKVDNPUSA-N 350.212 2.505 50 50 FFGA CCn1nc(C(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c2ccccc2c1=O 1875390417 SLSZQDXALWACFS-ZWSKJXEZSA-N 364.449 2.958 50 50 FFGA C[C@@H](Cl)C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1875364809 UQPHDJVFAKVXNC-LLVKDONJSA-N 368.842 2.521 50 50 FFGA O=C(CCn1nnc2ccccc21)N/N=C/c1cccc(Br)c1 1021878 CMMCJLKPAKUPDP-WOJGMQOQSA-N 372.226 2.734 50 50 FFGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1sccc1C)[C@@H]2C(=O)O 226356594 FCUZTBBHXJMZQL-HBJVGIJOSA-N 362.451 2.511 50 50 FFGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2368591 BYMFKIOOCWUQDY-RNDVCUHJSA-N 351.366 2.731 50 50 FFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1c[nH]c2ccccc12 2675674 WXESEQKSUUJUIO-LSHDLFTRSA-N 354.797 2.701 50 50 FFGA O=C(NNC(=S)NC[C@H]1CCCO1)c1sc2ccccc2c1Cl 6330217 KNSOYQQQIDXEEI-SECBINFHSA-N 369.899 2.843 50 50 FFGA N#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2[C@H]1c1cc(F)ccc1F 5130054 UEMBBWKCSUFXOB-AWEZNQCLSA-N 351.316 2.968 50 50 FFGA N#CC1(C#N)CC(C=O)=C(N)[C@@]1(C#N)CC(=O)C12CC3CC(CC(C3)C1)C2 4170922 UREBJGVXXWXYDI-JVZDKKQXSA-N 362.433 2.521 50 50 FFGA CCCCc1[nH]nc2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2 5042258 YSABORBAUMCGHF-INIZCTEOSA-N 354.410 2.988 50 50 FFGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1 874849 COUFYMVDLRRZFG-LLVKDONJSA-N 350.827 2.975 50 50 FFGA O=C(CCC(=O)NNC(=O)Nc1cccc(Cl)c1)NCc1ccccc1 2866164 HMZHSLKSGMBBEH-UHFFFAOYSA-N 374.828 2.589 50 50 FFGA COc1ccc(N[C@@H](C)C(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1 245239766 MCZJXCZTDMPGGW-ZDUSSCGKSA-N 356.382 2.944 50 50 FFGA COc1cccc(/C=N/NC(=O)c2c[nH]nc2-c2cccs2)c1OC 5297665 JQFYUWJNAFKISO-GIJQJNRQSA-N 356.407 2.919 50 50 FFGA Cc1ccc(C)c(OCC(=O)NNC(=O)CCCc2nc(C)cs2)c1 253405956 UPZDQOBGWVXKCU-UHFFFAOYSA-N 361.467 2.617 50 50 FFGA Cc1cccc(NC(=O)CCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 5548199 WTPWWPAAVDVXBZ-XDHOZWIPSA-N 354.366 2.772 50 50 FFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)c(OC)c1OC 822987 OUUZFLSIDLGBDH-HWPZZCPQSA-N 370.405 2.773 50 50 FFGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc4c(c3)n(C)c(=O)n4C)nc2c1 4755658 XUKKBFPGMZOOTQ-JYRVWZFOSA-N 359.389 2.826 50 50 FFGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(O)cc(O)c1 13322076 RUHGLHWJJANZJL-RGVLZGJSSA-N 350.378 2.664 50 50 FFGA Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1cc(Cl)ccc1O 5034840 WXWFIHVQBDCAEE-UHFFFAOYSA-N 369.204 2.847 50 50 FFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@H]2I)[N@@]31 1857524893 DTKNYSHMNMVGAO-GEODADPWSA-N 357.035 2.740 50 50 FFGA CC(/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1)=C\c1ccco1 19826204 LGRPCGDYYMASJQ-SDPONSEZSA-N 366.465 2.603 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 843786 PBYYLYORMMQNCU-VXLYETTFSA-N 368.418 2.592 50 50 FFGA COc1ccc(O)c(C=NNC(=O)c2cc(Br)ccc2O)c1 254305782 PNJVVMXXUDHACX-UHFFFAOYSA-N 365.183 2.633 50 50 FFGA C=CCc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c1O 4210387 ULYCUPBFNAISRF-SSDVNMTOSA-N 371.824 2.654 50 50 FFGA C[C@H](Cl)C(=O)N[C@H]1CCC2(C[C@H]1OCc1ccccc1)OCCO2 1875380352 MHPODGMWFQVVHA-CWRNSKLLSA-N 353.846 2.611 50 50 FFGA Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(C(=O)O)cc1 32606395 LKFNCWNCGDMSMM-UWVJOHFNSA-N 356.769 2.758 50 50 FFGA CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc(C)c2C)[C@H](C(=O)O)C1 4651628 OTXVCCVZJUWJJE-CHWSQXEVSA-N 350.440 2.573 50 50 FFGA CC(C)OCCCNC(=O)/C(C#N)=C/c1c[nH]c2cc(C(=O)O)ccc12 1875366894 UZXTWQGPGRYFDY-RIYZIHGNSA-N 355.394 2.704 50 50 FFGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 4302933 WGBCECRVJMKICL-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA CC(C)(CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1 101687019 GOJXFKVHNIGABU-UHFFFAOYSA-N 354.453 2.988 50 50 FFGA CC1=C(C)C[C@@H](C(=O)NNC(=O)CCC2CCCCC2)[C@@H](C(=O)O)C1 5841690 RVGNQXNWKYJLBS-CVEARBPZSA-N 350.459 2.942 50 50 FFGA COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc2c1OCO2 753430 LDQYATFLTIHISD-GOSISDBHSA-N 365.389 2.708 50 50 FFGA aggregator COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 754337 VEPFZXWCHNILLX-KRWDZBQOSA-N 356.378 2.527 50 50 FFGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc(Br)c1 2553561 KXAWARVEZIXMMC-KEBDBYFISA-N 374.238 2.638 50 50 FFGA O=C(N/N=C/c1cccs1)C(=O)Nc1cccc(Br)c1 2892442 JYESXGCXAHYKBY-OVCLIPMQSA-N 352.213 2.599 50 50 FFGA COc1cccc(OCC(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)c1 20158215 GXIMMBGSNXMJQD-PXLXIMEGSA-N 364.405 2.800 50 50 FFGA CCC(CC)n1ccc(C(=O)N2CC[C@H](C)[C@H](CNC(=O)CCl)C2)n1 1875383619 ASYWIMPTZIUQGE-UONOGXRCSA-N 368.909 2.697 50 50 FFGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(O)cc2)[nH]n1 5319280 HYHZOZJJGLFALC-UDWIEESQSA-N 350.378 2.945 50 50 FFGA Cc1ccc2c(c1Br)/C(=N/NC(=O)[C@H]1CC13CCC3)C(=O)N2 18209794 IRBNBJJFZLGFNR-SECBINFHSA-N 362.227 2.720 50 50 FFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc(Cl)c1 19372636 YWMDUSZDOHJLQY-HYARGMPZSA-N 370.884 2.608 50 50 FFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)cc1 2898336 CZCGKIBIVDIARM-VCHYOVAHSA-N 360.211 2.846 50 50 FFGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1C[C@H]1c1ccccc1 4956640 LZSWPWDGFAPBDI-AMFDNYHJSA-N 353.334 2.577 50 50 FFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 4354167 JUSXUJHWYRGJTJ-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA CC1(C)CC(=O)C2=C(C1)N(c1ncn[nH]1)C(N)=C(C#N)[C@H]2c1ccsc1 2381730 CUZIIIYUXCYTEF-CQSZACIVSA-N 366.450 2.807 50 50 FFGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c(OC)c1 1475192 BRIUFEOWPLIWGQ-VXLYETTFSA-N 370.434 2.823 50 50 FFGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2O)[nH]n1 868092 XHWNFHUVLAUPTC-UDWIEESQSA-N 350.378 2.945 50 50 FFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccs2)cc1 4079639 ZPTMNWSYESYAKF-UDWIEESQSA-N 359.451 2.807 50 50 FFGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)c1 5296773 VTHZDJJVQKBXEF-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1c(O)ccc2ccccc12 2553187 IWMCSPPGGFGGEE-FOKLQQMPSA-N 365.364 2.565 50 50 FFGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1cccc(Cl)c1Cl 2568464 VNJDUABFVXJVDB-QGMBQPNBSA-N 352.177 2.788 50 50 FFGA Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC1CCCCC1 2543639 HQQLIXMSNWYBBQ-UHFFFAOYSA-N 355.891 2.855 50 50 FFGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1CCOCC1 858288 NQTBYWMUDKAJNJ-SDNWHVSQSA-N 353.334 2.621 50 50 FFGA Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 643854 DQOPBBDEGXOTAG-OAQYLSRUSA-N 369.384 2.505 50 50 FFGA COc1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc(OC)c1OC 4956448 ZDHPCTUSRCCNID-FBAKOMQWSA-N 354.406 2.966 50 50 FFGA C[C@H](C(=O)N/N=c1/sc2ccccc2n1C)n1ccc(C(F)(F)F)n1 1875331909 ZDGKLRJHSTZQJJ-IAIXHETLSA-N 369.372 2.648 50 50 FFGA Cc1ccc(/C=N/NC(=O)c2cc(I)ccc2O)o1 1192172 PNFNOEQSHFIYBT-VIZOYTHASA-N 370.146 2.662 50 50 FFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1c[nH]c2ccccc12 4209368 SDTVYVNMKRCSTQ-LSHDLFTRSA-N 354.797 2.701 50 50 FFGA CCCNC(=O)NNC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 6879837 HDCYASPGEKPWGS-UHFFFAOYSA-N 357.410 2.701 50 50 FFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(F)cccc3Cl)[C@H]2C1 33936213 NEIACYGSZUEVRF-SUMWQHHRSA-N 367.815 2.834 50 50 FFGA COCn1nc(Br)c2cccc(NC(=O)[C@@H](F)Cl)c21 2325898572 MANUPPACQVYIKG-SNVBAGLBSA-N 350.575 2.876 50 50 FFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(cc1Cl)OCO2 643852 VQTVRGXYSNHFQE-HNNXBMFYSA-N 362.769 2.713 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1 1227838 LGLNMOWKIOFXLD-INIZCTEOSA-N 358.394 2.739 50 50 FFGA CCc1cc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cs1 2755100 SSVPJEFPMOCCSS-ZIAGYGMSSA-N 350.440 2.519 50 50 FFGA O=S(=O)(CCCCCl)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 285428362 WJTBPXOENUTOTD-IKGGRYGDSA-N 357.903 2.840 50 50 FFGA N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccco1 100165563 OCQCPHDQYKDGCN-KFWWJZLASA-N 369.377 2.501 50 50 FFGA O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 238997296 ADFGUJBAULKYEF-PTEOKISQSA-N 370.630 2.850 50 50 FFGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(Br)o1 4229194 WXFKIHUVTLUPIS-CAOOACKPSA-N 360.167 2.648 50 50 FFGA CC(C)Oc1ccc([C@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 658967 WMELSCAJBYBOTC-PMACEKPBSA-N 373.460 2.829 50 50 FFGA COc1ccc(NC(=S)NNC(=O)c2ccc(Cl)cc2O)cc1 2852605 HFAWAGXMINUGJZ-UHFFFAOYSA-N 351.815 2.686 50 50 FFGA C[C@@H]1[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](CO)(O2)[C@@H]1OC(=O)N(C)C 216539663 NNQZWDRPVUXHIT-CVXDVXMKSA-N 359.539 2.613 50 50 FFGA O=C(O)CCSSCCNC(=O)c1ccn(-c2cccc(F)c2)n1 1875388951 WJHJCUNSISDCEK-UHFFFAOYSA-N 369.443 2.597 50 50 FFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@@H]2I)[N@]31 1857524895 DTKNYSHMNMVGAO-UAMLKWFASA-N 357.035 2.740 50 50 FFGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c1 4457850 VMQPFZJPJRAPEH-CQSZACIVSA-N 354.410 2.943 50 50 FFGA COc1ccc(/C=N\NC(=O)c2cncc(Br)c2)cc1OC 32666339 GEKXKRPWUPYGSC-WSVATBPTSA-N 364.199 2.625 50 50 FFGA COc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc(OC)c1OC 4956443 ZDHPCTUSRCCNID-ZVTJPOEESA-N 354.406 2.966 50 50 FFGA O=C(/C=C/c1ccccc1Cl)NC(=S)NNC(=O)c1cccs1 2853895 KIBXNEYCCIQZSX-BQYQJAHWSA-N 365.867 2.750 50 50 FFGA CCOC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 2350732 CULVQCMQZDCVRE-CHWSQXEVSA-N 361.379 2.926 50 50 FFGA CC(C)(C)N(NC(=O)COc1ccccc1)C(=O)COc1ccccc1 4104961 FBCFCXWKSYGIQP-UHFFFAOYSA-N 356.422 2.803 50 50 FFGA Cc1ccc2c(c1Br)/C(=N/NC(=O)c1ccc(O)cc1)C(=O)N2 5093716 YIHXXCNVHRZLFO-UHFFFAOYSA-N 374.194 2.549 50 50 FFGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 4335828 NKTKHNXPJYHJQA-KGENOOAVSA-N 369.421 2.963 50 50 FFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 1427791 BVHZPHAAMAGLSH-INIZCTEOSA-N 374.356 2.665 50 50 FFGA Cn1nc(C(=O)NNC(=O)CCc2ccccc2Cl)c2ccccc21 1875337337 XGGWORFAWDVLAP-UHFFFAOYSA-N 356.813 2.621 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(NC(C)=O)cc1 752597 PBEPVECQKHVZAT-INIZCTEOSA-N 355.394 2.680 50 50 FFGA N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)C(=O)NC1CC1 194855696 MIJAZOAWBOPNNA-IZZDOVSWSA-N 363.211 2.796 50 50 FFGA O=C(NNC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc(Cl)nc1 170637583 QGFSFEZPLXFCNP-UHFFFAOYSA-N 373.844 2.585 50 50 FFGA COc1cccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 946180 YKFYYAMSUKKXBG-YBFXNURJSA-N 365.349 2.757 50 50 FFGA COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1OC 4616801 YLRBVVWSJKUZFD-SXGWCWSVSA-N 352.390 2.936 50 50 FFGA CCCSS/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N 17259731 UDCIYVVYDCXLSX-SDNWHVSQSA-N 356.517 2.731 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 1226649 NLUJXFBYCIVYIX-IOVUBPJKSA-N 353.422 2.823 50 50 FFGA O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(Cl)s1 6633506 SHTGSUZDGVCCLC-UHFFFAOYSA-N 355.828 2.762 50 50 FFGA N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NC[C@@H]1CCCO1 853999 ZNLURJMGAXVKFW-OBHPCNEJSA-N 366.373 2.847 50 50 FFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(OC)c2O)[nH]n1 945806 NUTDMXUHUPTUGJ-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1 6718643 PELFTNQHGSITLB-UHFFFAOYSA-N 358.829 2.793 50 50 FFGA in-vitro Cc1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1 8335440 XXJICJYJCFTJSY-UHFFFAOYSA-N 364.361 2.738 50 50 FFGA C[C@H](Cl)C(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1875370440 OUMLTUGPGDQWRD-QJPTWQEYSA-N 354.800 2.796 50 50 FFGA CCOc1ccccc1[C@@H]1[C@H]2CN(CC)CC=C2C(C#N)=C(N)C1(C#N)C#N 13511223 PMEXMNKXPJVPRR-AZUAARDMSA-N 373.460 2.831 50 50 FFGA O=C(NNC(=O)c1cc2ccccc2cc1O)Nc1ccc([N+](=O)[O-])cc1 4159133 YJHAPNXNEICCIE-UHFFFAOYSA-N 366.333 2.920 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)CCn2nnc3ccccc32)cc1 1308665 BSNNGNVEEGECMD-RCCKNPSSSA-N 364.453 2.818 50 50 FFGA O=C(COc1ccc(Cl)cc1)NNC(=O)Cc1ccc(Cl)cc1 1230120 QACGPQMYUBHKLF-UHFFFAOYSA-N 353.205 2.762 50 50 FFGA O=C(NN[C@H]1c2ccccc2C(=O)N1CCc1ccccc1)c1ccncc1 334163168 NDYWIJOSTOXKRU-HXUWFJFHSA-N 372.428 2.713 50 50 FFGA COc1ccc(COC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 4946773 IPIPIDOHTBYBJL-UHFFFAOYSA-N 364.785 2.685 50 50 FFGA Cc1nn(C)cc1NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 2795360 APCMHANTOFUFMZ-OLZOCXBDSA-N 363.874 2.503 50 50 FFGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c1O 730019 NJKYUFBKGXNMIO-VXLYETTFSA-N 370.434 2.530 50 50 FFGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc([N+](=O)[O-])c1O 37192193 HAQXSQVDXUPVLF-WDZFZDKYSA-N 355.306 2.560 50 50 FFGA CC(=NNC(=O)c1c(Br)cnn1C)c1ccc(Cl)cc1 253470497 UEGUMVWRSXYWNU-UHFFFAOYSA-N 355.623 2.990 50 50 FFGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3cccs3)n[nH]2)c1 6720101 IFFDIHXDPQXSRA-VCHYOVAHSA-N 356.407 2.919 50 50 FFGA CC(=O)N/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 2969887 CDJNMEBWMHFEIO-VCHYOVAHSA-N 366.826 2.886 50 50 FFGA C=CCNC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2166313 IBDHDCQEBFIFFP-HYARGMPZSA-N 365.437 2.824 50 50 FFGA O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2565213 WFUXCQHXSRMGPQ-QGMBQPNBSA-N 352.177 2.788 50 50 FFGA O=C(COc1ccc(Cl)cc1Cl)N/N=C1/C(=O)Nc2ccccc21 17857422 CPPAYLGBJGDERF-UHFFFAOYSA-N 364.188 2.845 50 50 FFGA N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)C[C@H]1c1ccccc1 709909 SKWHBOSBPBZVDA-LBPRGKRZSA-N 370.459 2.854 50 50 FFGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1OC 822994 SQVQEPYBUYDLRQ-XTZNXHDOSA-N 370.405 2.773 50 50 FFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 1427310 ROGCGXCAYHXQMD-MRXNPFEDSA-N 374.356 2.665 50 50 FFGA CCOC(=O)c1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1 6392661 CXNYMRHTQRHVAD-UHFFFAOYSA-N 371.462 2.814 50 50 FFGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3c(F)cccc3Cl)[C@@H]2C1 1797920 NEIACYGSZUEVRF-CXAGYDPISA-N 367.815 2.834 50 50 FFGA COC(=O)c1cc(I)ccc1CBr 261508511 UCENSHTXYGCSJO-UHFFFAOYSA-N 354.969 2.973 50 50 FFGA in-vitro O=C(N/N=C/c1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 1684980 VKIHCVACQCOVEO-LQGKIZFRSA-N 363.204 2.594 50 50 FFGA COc1ccc(/C=N/NC(=O)COc2ccccc2Br)cc1 1207524 MEDHHAVJOTXHPC-VCHYOVAHSA-N 363.211 2.987 50 50 FFGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 8973314 PETRCCPIPWYVPH-GFCCVEGCSA-N 350.827 2.975 50 50 FFGA COc1ccc(OC)c(/C=N/NC(=O)Cn2c(C)nc3ccccc32)c1 5317897 UJSNQHABTPBNEL-RGVLZGJSSA-N 352.394 2.512 50 50 FFGA COc1cc([C@H]2Oc3c(OC)cc(/C=C/C=O)cc3[C@@H]2CO)ccc1O 28974928 GWCSSLSMGCFIFR-LNFBDUAVSA-N 356.374 2.831 50 50 FFGA biogenic,in-vitro COc1cccc([C@H]2[C@@H]3CN(C(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 4115127 MHBOIAHUVWGPEG-UXHICEINSA-N 373.460 2.829 50 50 FFGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1c2ccccc2cc2ccccc12 100567818 YUHIJUHTYLOHBM-YPKZHZFPSA-N 358.401 2.955 50 50 FFGA Cc1ccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)cc1 6573757 NBDKXUAZIXHYHH-LBPRGKRZSA-N 373.434 2.509 50 50 FFGA CCOP(=O)(CC(=O)NNC(=O)Nc1ccc(Cl)cc1)OCC 2896545 ZPGUBZCPZXZFBM-UHFFFAOYSA-N 363.738 2.759 50 50 FFGA Cc1cc2c(c(=O)o1)[C@H](c1cc(Br)cs1)C(C#N)=C(N)O2 755785 CHCGMSFETRJDFB-NSHDSACASA-N 365.208 2.990 50 50 FFGA Cc1c(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-] 2851293 CSPOAXXAJBNSLN-LBPRGKRZSA-N 358.423 2.773 50 50 FFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 1227839 LGLNMOWKIOFXLD-MRXNPFEDSA-N 358.394 2.739 50 50 FFGA O=C(O)c1cc(I)ccc1NC(=O)C(Cl)Cl 3080947 GXYNIHSGNXPEIF-UHFFFAOYSA-N 373.961 2.732 50 50 FFGA CC1(C)OB(c2cc3ccc4cc(B(O)O)cc5ccc(c2)c3c45)OC1(C)C 514251805 IOENXPDQFVKUFL-UHFFFAOYSA-N 372.038 2.563 50 50 FFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1Cl 3072801 HCCVIOSAVFGMNE-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cnccn2)cc1OCc1ccccc1 1095643 RMODNURCGXRUGE-FSJBWODESA-N 362.389 2.828 50 50 FFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc[n+](Cc2ccccc2)cc1 1207340 LFXZJGWZHDDMJV-UHFFFAOYSA-O 361.381 2.695 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(O)c1 43190641 YEGAKHVQZMOLQM-DNTJNYDQSA-N 366.204 2.579 50 50 FFGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1OC 5126076 NNFHVVNYGOHDQQ-YBFXNURJSA-N 354.366 2.841 50 50 FFGA C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1cccc(O)c1 12343224 PPVADNZCWCXGTE-YDZHTSKRSA-N 369.465 2.973 50 50 FFGA COC1(c2noc(CC3CCN(C(=O)[C@@H](C)Cl)CC3)n2)CCCC1 1875366080 JXDHVJHCWFVNFE-GFCCVEGCSA-N 355.866 2.894 50 50 FFGA Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C/c2ccco2)c1C#N 6526988 FEVCIOWAUKSGMV-YRNVUSSQSA-N 354.391 2.769 50 50 FFGA CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCC 18285519 IRLPEVBHKIDSKK-INIZCTEOSA-N 367.405 2.699 50 50 FFGA O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc(Cl)cc1Cl 1754366 WBBDOILMNIMISL-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccnc1 4798020 IOVARMGAKFTLFC-YDZHTSKRSA-N 356.385 2.700 50 50 FFGA Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(B(O)O)c1 169746566 DKUPKFVGBUWCOP-UHFFFAOYSA-N 355.424 2.670 50 50 FFGA in-vitro O=C(N/N=C/c1ccccc1C(F)(F)F)[C@H]1COc2ccccc2O1 1203762 MZKGWHILQMDKTE-MNPVBQOISA-N 350.296 2.996 50 50 FFGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cnccn1 5613140 BYAZMPYBHBOUCO-DJKKODMXSA-N 361.199 2.568 50 50 FFGA Cc1cc(=O)oc2ccc(OCC(=O)NNc3c(F)cccc3F)cc12 888093166 GODFYOSNAWGVJX-UHFFFAOYSA-N 360.316 2.902 50 50 FFGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1 1075572 CHTGKQPAVCNUNG-UHFFFAOYSA-N 356.451 2.913 50 50 FFGA CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 1299353 YMRVCNABEMOLHT-YBFXNURJSA-N 353.451 2.871 50 50 FFGA O=C(CCC(=O)Nc1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2 2843104 BUPXROOGDVLTFC-KEBDBYFISA-N 373.796 2.938 50 50 FFGA CN(C)C(=C(C#N)C#N)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1400003 BQKIPQPZNMJYLX-UHFFFAOYSA-N 350.253 2.936 50 50 FFGA CC(=O)O[C@H]1C[C@H]2[C@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238494 RMADYUJTAOPBEY-AXMZGBSTSA-N 370.087 2.537 50 50 FFGA CCn1nc(C(F)(F)F)cc1C(=O)NCCSSCCC(=O)O 1875388989 XNAIQPMFRUBZJC-UHFFFAOYSA-N 371.406 2.508 50 50 FFGA COc1cc([C@H]2O[C@H]2C(=O)c2ccc(OO)cc2)c(OC)c2c1OCO2 253470507 ADUGDSIHXNPKIL-WBVHZDCISA-N 360.318 2.607 50 50 FFGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 5450570 QXDXWPFPFVDXFP-OAHLLOKOSA-N 366.812 2.763 50 50 FFGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 2379894 PSUYUXPVDUYGOP-KGENOOAVSA-N 369.421 2.963 50 50 FFGA COc1ccc([C@@H]2[C@@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)cc1 253387583 QAWCSHGMVQKVTE-LMFCIFFHSA-N 371.444 2.581 50 50 FFGA COC(=O)c1ccc(/C=N\NC(=O)c2c(C)nc3ccc(Cl)cn23)cc1 32606168 BKTTWHPGQWACHG-UKWGHVSLSA-N 370.796 2.847 50 50 FFGA O=C(NNS(=O)(=O)c1cccs1)c1[nH]c2ccccc2c1Cl 1395467 MHPQHVVNNWTFKR-UHFFFAOYSA-N 355.828 2.506 50 50 FFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1n[nH]c2c1CCc1ccccc1-2 6554215 VEBVWOHDCFOZJJ-RGVLZGJSSA-N 361.361 2.847 50 50 FFGA CCn1nc(C(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c2ccccc2c1=O 1875390415 SLSZQDXALWACFS-QJTCIVQASA-N 364.449 2.958 50 50 FFGA Cc1cccc(C2(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)CCCC2)c1 726771321 LIEQXJVNITXNOI-IBGZPJMESA-N 364.445 2.958 50 50 FFGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)NC1CCCCC1 2860526 TZJKTIGDWFWQIO-UHFFFAOYSA-N 366.849 2.722 50 50 FFGA COc1nn([C@@H](C)C(=O)N/N=C/C(C)=C/c2ccccc2)cc1[N+](=O)[O-] 4646337 FCILRMDYUMKCTN-RKONHIPOSA-N 357.370 2.566 50 50 FFGA O=C(NN[C@H]1[C@H]2CCCCC2=NN1C(=O)c1ccccc1)c1ccccc1 1195429 MSLBUQDXSJGGRA-PKOBYXMFSA-N 362.433 2.949 50 50 FFGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC(C)=O)c(OC)c1)C(C#N)=C(N)O2 4978951 CHJNEFASSXCWFZ-INIZCTEOSA-N 368.393 2.514 50 50 FFGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2ccoc2C)s1 6708545 ZHAOMNRVWLXZJX-UHFFFAOYSA-N 367.452 2.630 50 50 FFGA CCc1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239174421 PZTJVLUTSZLBNQ-SLQSZJTJSA-N 364.239 2.759 50 50 FFGA O=C(NNc1nc(-c2ccncc2)no1)c1ccc(OC(F)F)c(F)c1 815237145 KSDIADXFCXEZOT-UHFFFAOYSA-N 365.271 2.629 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1 3903248 AXIPGAKHPZVIKM-CIAFOILYSA-N 362.389 2.936 50 50 FFGA COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OCCN1CCOCC1 17076288 AYXZUYYWNKFRKX-LGMDPLHJSA-N 372.465 2.928 50 50 FFGA Cc1cc2ccccc2nc1NNC(=O)Cn1cc(C(N)=O)c2ccccc21 777476470 HKWUZRNBSABFGM-UHFFFAOYSA-N 373.416 2.740 50 50 FFGA O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 3067876 YSNGNSCCZWBGBA-SRZZPIQSSA-N 351.337 2.773 50 50 FFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)c(OC)c1OC 822990 OUUZFLSIDLGBDH-MGPLVRAMSA-N 370.405 2.773 50 50 FFGA COc1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)ccc1OC(C)=O 4963642 PHGZIPOMAWNUQL-UQKXMBGOSA-N 352.390 2.874 50 50 FFGA C[C@H](C(=O)/C(C#N)=C1/Nc2ccccc2N1C)N1C(=O)c2ccccc2C1=O 110479304 BEAZGSIONFFNFS-RILUTCLRSA-N 372.384 2.537 50 50 FFGA C[C@@H](C(=O)/C(C#N)=C1/Nc2ccccc2N1C)N1C(=O)c2ccccc2C1=O 110479300 BEAZGSIONFFNFS-IBPDABBASA-N 372.384 2.537 50 50 FFGA COc1ccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 1010273 JZTJIOHZMVBART-GOSISDBHSA-N 366.465 2.908 50 50 FFGA O=C(CCBr)NC(=O)Nc1ccc(Br)cc1 2973400 IGNHWSHLICSELV-UHFFFAOYSA-N 350.010 2.882 50 50 FFGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1C[C@@H]1c1ccccc1 4956646 LZSWPWDGFAPBDI-GZBXKKSUSA-N 353.334 2.577 50 50 FFGA COc1cc(/C=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)cc(Cl)c1O 32634427 FBBCKKFSNMQKSK-LSCVHKIXSA-N 350.806 2.839 50 50 FFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3)[C@@H]2C1 705036 ZMTLCAPZKNXEDU-MOPGFXCFSA-N 361.424 2.959 50 50 FFGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)cc2)cc1 5059184 FBYGZYMPZACIFA-UVTDQMKNSA-N 352.346 2.704 50 50 FFGA COc1ccc(NCCCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 2996108 XXXWPGVZISFKLQ-DEDYPNTBSA-N 356.382 2.946 50 50 FFGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c1OC 4592560 UFWFTWDWSPPBCC-CYBMUJFWSA-N 354.410 2.943 50 50 FFGA CC1(C)CC(=O)C2=C(C1)N(c1ncn[nH]1)C(N)=C(C#N)[C@@H]2c1ccsc1 5408225 CUZIIIYUXCYTEF-AWEZNQCLSA-N 366.450 2.807 50 50 FFGA COc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1 1230049 IGHCUKQKIUFTOY-UHFFFAOYSA-N 356.422 2.833 50 50 FFGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(OC)c1 1213528 GKXFFRWXGATJCA-UDWIEESQSA-N 369.377 2.861 50 50 FFGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)cc1O 102295299 RIWQGOWMSQQDLQ-FYJGNVAPSA-N 363.458 2.805 50 50 FFGA Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 901254 MQUQNUAYKLCRME-INIZCTEOSA-N 351.855 2.693 50 50 FFGA aggregator,biogenic,in-vitro N#Cc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 32625313 YJRDQGPEFJODNP-JLPGSUDCSA-N 355.397 2.944 50 50 FFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@@H]2C1 33936234 YXDSZISETFFJSC-QAPCUYQASA-N 365.387 2.710 50 50 FFGA CCc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccccc43)[nH]n2)cc1 5444938 ROURHVOEYGIIQI-UHFFFAOYSA-N 359.389 2.725 50 50 FFGA CC(C)Oc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 803684 WMELSCAJBYBOTC-WOJBJXKFSA-N 373.460 2.829 50 50 FFGA Cc1ccc(C(=O)NNC(=O)[C@H](C#N)C(=O)c2ccc(C)c(C)c2)cc1C 4833697 YIPQBCNOKNCBBX-GOSISDBHSA-N 363.417 2.704 50 50 FFGA Cc1cccc2[nH]cc(CCC(=O)NNc3nc(-c4ccncc4)no3)c12 1875261628 AIGWYFOPPCYCBN-UHFFFAOYSA-N 362.393 2.997 50 50 FFGA CN(CC(=O)NCCSSCCC(=O)O)c1ccc(Cl)cc1 1875388868 SZIQKSBSIQRDQL-UHFFFAOYSA-N 362.904 2.749 50 50 FFGA COc1ccc(C(=O)NCCSSCCC(=O)O)c(C)c1OC 1875388555 GKYKLEAROULERZ-UHFFFAOYSA-N 359.469 2.598 50 50 FFGA CCOc1ccccc1[C@@H]1[C@@H]2CN(CC)CC=C2C(C#N)=C(N)C1(C#N)C#N 13511221 PMEXMNKXPJVPRR-UYAOXDASSA-N 373.460 2.831 50 50 FFGA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1C 239412465 SSEYSTVHQULNHX-OJVARPOJSA-N 364.239 2.813 50 50 FFGA Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)[C@H]2CCCO2)c(C)n1C[C@H]1CCCO1 252517750 QHNLAJWXCNLXGR-YFYRSXKXSA-N 371.481 2.875 50 50 FFGA C/C(=N\NC(=O)c1ccc(C(N)=O)cc1)c1ccc(Br)cc1 13321720 QFJOKOKQHHPFSN-VXLYETTFSA-N 360.211 2.702 50 50 FFGA C[C@@H]1CN([C@H](CNC(=O)[C@@H](C)Cl)c2c(F)cccc2F)C[C@@H](C)O1 1875364427 QMPNPPSETGNSAZ-RTWAVKEYSA-N 360.832 2.859 50 50 FFGA C=CCNC(=S)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 6510911 WCBILONSJQTZRV-UHFFFAOYSA-N 363.446 2.592 50 50 FFGA COc1ccc(OC)c(NC(=S)NNC(=O)CCc2ccccc2)c1 6397859 WZUIIRYJUXWAPV-UHFFFAOYSA-N 359.451 2.654 50 50 FFGA C[C@H](Cl)C(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1875370441 OUMLTUGPGDQWRD-SDDRHHMPSA-N 354.800 2.796 50 50 FFGA O=C(N/N=C/c1coc2ccccc2c1=O)C(=O)Nc1ccc(Cl)cc1 2520410 TZQFUPHHWQAGQT-AWQFTUOYSA-N 369.764 2.535 50 50 FFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cc(Cl)ccc1O 3209696 VXQPQLHTZJBZTN-DNTJNYDQSA-N 366.204 2.579 50 50 FFGA Cc1nn(CCCl)c(C)c1C(=O)N1CCOc2ccc(F)cc2C1 252508705 XRFCXZRAVJLSHU-UHFFFAOYSA-N 351.809 2.913 50 50 FFGA N#Cc1ccccc1C1(C(=O)NCCSSCCC(=O)O)CCC1 1875388527 FQWRTQVBYKQXDZ-UHFFFAOYSA-N 364.492 2.952 50 50 FFGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Br)c1 2566427 YPUUDRCRVDHCKA-VCHYOVAHSA-N 360.211 2.846 50 50 FFGA Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 17073157 XKTFFMWIODJWPQ-HUUCEWRRSA-N 353.378 2.680 50 50 FFGA C/C(=N\NC(=O)NC1CCCC1)c1ccc(OCC(=O)N2CCCC2)cc1 222048398 GLKQXLBMGAJJHA-PXLXIMEGSA-N 372.469 2.654 50 50 FFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1O 1120902 HUBHNBYXZFQFIO-CQSZACIVSA-N 361.195 2.969 50 50 FFGA COc1cc(/C=N\NC(=O)COc2ccccc2Cl)cc(OC)c1O 30708066 FWYRQHKLAILAHI-OCKHKDLRSA-N 364.785 2.592 50 50 FFGA O=C(Cn1cnc2ccccc21)N/N=C/c1cc(Br)ccc1O 1189980 KZLNIDJZSIKKHF-UFWORHAWSA-N 373.210 2.655 50 50 FFGA Cc1nn(Cc2ccc(C(=O)N/N=C\c3ccncc3)o2)c(C)c1Cl 32573595 IWJTULHJHPBONV-UKWGHVSLSA-N 357.801 2.954 50 50 FFGA CN(C)c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 822271 QZBJAPBPIFQSKY-KGENOOAVSA-N 350.422 2.643 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1 12446239 GRKMLBMFRLNAGW-UZPSYVQNSA-N 372.450 2.511 50 50 FFGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1OCC 658722 TVPYOEMVAKMIOM-QGZVFWFLSA-N 368.389 2.964 50 50 FFGA O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 238997295 ADFGUJBAULKYEF-GRRRKWKPSA-N 370.630 2.850 50 50 FFGA COc1ccc2cc(C(=O)NCCSSCCC(=O)O)ncc2c1 1875388873 TWPRJPWXNSYAEF-UHFFFAOYSA-N 366.464 2.829 50 50 FFGA CC(C)(C)OC(=O)n1c(B(O)O)cc2c(OCc3ccccc3)cccc21 169745547 YXJBIADEQVCONT-UHFFFAOYSA-N 367.210 2.683 50 50 FFGA in-vitro O=C(N/N=C/c1coc2ccccc2c1=O)C(=O)Nc1ccccc1Cl 2530389 SEEOWHCKRQKJTH-AWQFTUOYSA-N 369.764 2.535 50 50 FFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1=CCN(Cc2ccccc2)CC1 4964466 XNLZDRUOADJUAL-KGENOOAVSA-N 364.405 2.877 50 50 FFGA C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc([N+](=O)[O-])cc1 4981029 HWYBISIFWCAEND-XDHOZWIPSA-N 359.411 2.634 50 50 FFGA COc1ccc(N[C@H](C)C(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1 245239765 MCZJXCZTDMPGGW-CYBMUJFWSA-N 356.382 2.944 50 50 FFGA Cc1ccc(C(=O)NNC(=O)[C@@H](C#N)C(=O)c2ccc(C)c(C)c2)cc1C 4833698 YIPQBCNOKNCBBX-SFHVURJKSA-N 363.417 2.704 50 50 FFGA Cc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1C 239231239 VEPIMNVKKALHAX-ORIIPUBOSA-N 364.239 2.813 50 50 FFGA Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2896119 GAZHBXBQOVYSTJ-XDHOZWIPSA-N 354.366 2.772 50 50 FFGA COc1cccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)c1O 3903249 KFRCCNMIRGPCPE-RGVLZGJSSA-N 350.378 2.863 50 50 FFGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccccc1 20101317 BJQNCAYYHYFXPN-HYARGMPZSA-N 370.884 2.608 50 50 FFGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1csc(C)c1 6826137 TUYVSTMCULJSMC-UHFFFAOYSA-N 369.493 2.844 50 50 FFGA O=C(CNc1ccc(F)cc1)N/N=C/c1cc(Br)ccc1O 8311705 AWXALSWQPABXAP-UFWORHAWSA-N 366.190 2.856 50 50 FFGA NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 834042 MIWNDEFECISAKR-UHFFFAOYSA-N 359.842 2.670 50 50 FFGA C=CCOc1ccc([C@@H]2[C@@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 12292252 KKUIZSGMROTLRZ-WOJBJXKFSA-N 371.444 2.607 50 50 FFGA COc1ccc(Cl)cc1NC(=S)NNC(=O)Cc1cccs1 17073550 GQXLBVQWKHMFCA-UHFFFAOYSA-N 355.872 2.970 50 50 FFGA NNC(=O)c1cc(-c2ccc(N)cc2)nc2ccc(Br)cc12 1230564 ADOVMKXWNWCKIX-UHFFFAOYSA-N 357.211 2.850 50 50 FFGA COc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1OC(C)=O 4963619 PHGZIPOMAWNUQL-XXXRSFMGSA-N 352.390 2.874 50 50 FFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1 8818082 PCWXSOPLZRXYAK-UDWIEESQSA-N 350.378 2.858 50 50 FFGA COC(O)=C1C=CC(=NC=C(C#N)S(=O)(=O)c2ccc(OC)cc2)C=C1 2082945796 UKIGRSYIWIVSFJ-UHFFFAOYSA-N 372.402 2.817 50 50 FFGA C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 100289879 RLGDHOSNPIELHF-SXGWCWSVSA-N 373.281 2.565 50 50 FFGA O=C(NNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)[C@H]1CCCO1 250513580 SKERKCBMOPMQLZ-UMVBOHGHSA-N 371.462 2.673 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12 3113492 WROAWGIHOJHIFJ-LSHDLFTRSA-N 354.797 2.701 50 50 FFGA CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)CCl)cc2)CC1 1875375332 ZQMPWWIWBIIAGQ-UHFFFAOYSA-N 353.850 2.921 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 1211952 HYMWOUHJTBUXMM-FVUPAENESA-N 371.824 2.852 50 50 FFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 4230333 SJINEBMACSZZAQ-CIAFOILYSA-N 350.378 2.655 50 50 FFGA C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(CC)cc1 2553778 JRGHDQMJRXXSLA-KGENOOAVSA-N 351.406 2.903 50 50 FFGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 754263 YYCSZTGQIVUOLW-INIZCTEOSA-N 370.405 2.860 50 50 FFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1OC 625603 BRQFEESCSQEAAU-OAHLLOKOSA-N 356.378 2.527 50 50 FFGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1 3105385 GIBDYSSCIFFNPX-UHFFFAOYSA-N 353.422 2.675 50 50 FFGA Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C(\C#N)c3nc4ccccc4[nH]3)cc21 4755221 GBWOWOQEQCYHRL-KPKJPENVSA-N 374.360 2.726 50 50 FFGA CNC(=S)NNC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 6845937 ULBRPIQGRIVKMP-UHFFFAOYSA-N 350.447 2.949 50 50 FFGA COCC(=O)N/N=C\c1cccc(OC)c1OC/C=C/c1ccccc1 15934349 FZTOQPYIWWBUAX-CRZZXXEWSA-N 354.406 2.884 50 50 FFGA CC1=C(C#N)[C@@](NC(=O)c2ccc(C(C)(C)C)cc2)(C(F)(F)F)C(=O)N1 5068919 IZVFRVUSNQMCRL-KRWDZBQOSA-N 365.355 2.942 50 50 FFGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1C 6215660 OBDMMWLEOAJANM-SRZZPIQSSA-N 367.405 2.901 50 50 FFGA C/C(=N/NC(=O)c1cn(-c2cccc(C)n2)cn1)c1ccc([N+](=O)[O-])cc1 4002518 NIMUCSVYJOKOHT-BKUYFWCQSA-N 364.365 2.638 50 50 FFGA CCOc1ccc(C(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc1 32666324 YHPBGTJWESFKHN-NDENLUEZSA-N 358.394 2.875 50 50 FFGA C[C@H]1CN(CC(=O)NN=C(c2ccccc2)c2ccccc2)C[C@H](C)O1 20405737 CGMYGPAGIWQBBA-IRXDYDNUSA-N 351.450 2.664 50 50 FFGA COC(=O)c1ccc(CBr)c(B2OC(C)(C)C(C)(C)O2)c1 169808014 IZFIPFIGKZZNHR-UHFFFAOYSA-N 355.037 2.667 50 50 FFGA in-vitro Cc1ccc(/C=N/NC(=O)CSc2c(C(=O)O)nc3ccccn23)cc1 43761238 ACCCIELVWUMWDM-VXLYETTFSA-N 368.418 2.583 50 50 FFGA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1cccc(O)c1 15015363 KPMKUAXFYPDJIH-UHFFFAOYSA-N 374.194 2.549 50 50 FFGA CCOC(=O)C[C@@H](C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1 3105920 BROCUFYDJLHLJZ-SFHVURJKSA-N 374.373 2.885 50 50 FFGA C=CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 2906915 MQOWSJNJCULJHM-YBFXNURJSA-N 356.451 2.901 50 50 FFGA O=C(CCBr)NC(=O)Oc1cccc(Br)c1 2963991 PUHLHVGWZKWUOE-UHFFFAOYSA-N 350.994 2.849 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)c(OC)c1 5402707 MUBMTMQXAAFGPK-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA O=C(O)CCSSCCNC(=O)c1csc(-c2cccnc2)n1 1875388728 OEWLUPPSCCGGTA-UHFFFAOYSA-N 369.493 2.791 50 50 FFGA N#Cc1ccccc1OCC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1 2941836 WOHPVVQJAAAWTK-YQJIRVCQSA-N 350.334 2.661 50 50 FFGA CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccoc1C 4812796 NYDQZAVCZPHXRO-SRZZPIQSSA-N 356.382 2.681 50 50 FFGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)csc2C1 6468285 CLIRJPAMEQUPHQ-RTXFEEFZSA-N 364.467 2.525 50 50 FFGA O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1Cc2cc(F)ccc2O1 170635766 QYVSESOQXXHZSW-GZDOSPBESA-N 372.440 2.883 50 50 FFGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 727476 MVHFYQLFOQXQHS-OAHLLOKOSA-N 361.313 2.919 50 50 FFGA CCOC(=O)C[C@H](C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1 3105922 BROCUFYDJLHLJZ-GOSISDBHSA-N 374.373 2.885 50 50 FFGA COc1cc([C@H]2O[C@@H]2C(=O)c2ccc(OO)cc2)c(OC)c2c1OCO2 253470505 ADUGDSIHXNPKIL-NVXWUHKLSA-N 360.318 2.607 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3O)[nH]n2)cc1 6373904 RVPLPVWRVXMJGB-UDWIEESQSA-N 350.378 2.945 50 50 FFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OCC)c1 1227934 RPTNDRQJFKKVDY-QGZVFWFLSA-N 358.394 2.739 50 50 FFGA CCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 2059152 AYZZPAOMIYSZOC-UHFFFAOYSA-N 373.453 2.849 50 50 FFGA COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c1 1427730 QEIPRITYYQNAFH-KRWDZBQOSA-N 359.385 2.765 50 50 FFGA CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc([N+](=O)[O-])c1O 225345683 CAZHQBFCYZCVHJ-OHGUMIBLSA-N 361.398 2.976 50 50 FFGA O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1COc2ccccc2O1 13301837 OUTOQWKQEXJRTA-UPAIAECRSA-N 361.195 2.739 50 50 FFGA O=C(COc1ccccc1Cl)N/N=C/c1coc2ccccc2c1=O 2521659 BXXPCINGQKNCDD-AWQFTUOYSA-N 356.765 2.976 50 50 FFGA COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(OC)c(OC)c(OC)c1 6668760 MZLUGYPKQSBGDQ-GOSISDBHSA-N 368.389 2.939 50 50 FFGA COC(=O)c1c(NC(=S)NNC(=O)c2ccoc2C)sc(C)c1C 17075439 LAQKBCAQBYAZON-UHFFFAOYSA-N 367.452 2.684 50 50 FFGA COc1cccc([C@@H]2[C@@H]3C(=C[C@H]4CC[C@H]3N4C)C(C#N)=C(N)C2(C#N)C#N)c1 253390190 FECXSRCBUAIHFT-LMFCIFFHSA-N 371.444 2.581 50 50 FFGA COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1OC(C)=O 1234398 PHGZIPOMAWNUQL-DTLUWHCESA-N 352.390 2.874 50 50 FFGA Cc1ccc(NC(=O)CCC(=O)NNC(=O)/C=C/c2ccccc2)c(C)c1 12403975 ONCVFOWWLRVMAZ-PKNBQFBNSA-N 365.433 2.883 50 50 FFGA CCOc1ccccc1[C@H]1[C@@H]2CN(CC)CC=C2C(C#N)=C(N)C1(C#N)C#N 988971 PMEXMNKXPJVPRR-QUCCMNQESA-N 373.460 2.831 50 50 FFGA C[C@@H](NC(=S)NNC(=O)c1ccc(Br)o1)c1ccccc1 6824285 DHRXTMPIELBBSM-SECBINFHSA-N 368.256 2.912 50 50 FFGA COc1cc(OC)cc(C(=O)N/N=C\c2coc3ccc(C)cc3c2=O)c1 20573225 DJPFYOZQRWMUOJ-FBHDLOMBSA-N 366.373 2.883 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 4231370 VFQVJXITPCBBTJ-KGENOOAVSA-N 352.438 2.930 50 50 FFGA O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 2730196 FVRMKMCTSWPEBH-SJORKVTESA-N 374.437 2.660 50 50 FFGA O=C(O)CCSSCCNC(=O)[C@@H]1CC[C@@H](Oc2ccncc2)C1 1875361920 IEMOZUFYMIYSQL-TZMCWYRMSA-N 370.496 2.601 50 50 FFGA CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)CCCC(=O)O)csc2C1 2113280 MUHLGECBCKHBKS-NSHDSACASA-N 366.483 2.915 50 50 FFGA Cc1cccc(NC(=S)NNC(=O)c2ccc(Br)o2)c1 13470950 FDSUTQHNPCZBPG-UHFFFAOYSA-N 354.229 2.982 50 50 FFGA CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCC(N)=O 16447710 RXXOZKIVYZYJOV-SXGWCWSVSA-N 366.373 2.712 50 50 FFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1 9045074 LBZNVNLDOWFAEU-UDWIEESQSA-N 350.378 2.945 50 50 FFGA COc1ccc(O)c(/C=N/NC(=O)[C@H](C)Oc2cccc3cccnc23)c1 1214596 ILXPXICARNSZIA-AEOXGOBCSA-N 365.389 2.867 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)n[nH]2)cc1OC 18042597 LYBWAGMZJOQGRK-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Cl)c1 1922022 RZSNLPSLHBXGNM-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA O=C(NNC(=O)c1ccc(-n2cccc2)cc1)Nc1cccc([N+](=O)[O-])c1 2858148 QNQLHTKNWZHPAR-UHFFFAOYSA-N 365.349 2.852 50 50 FFGA CCCCOc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1950922 LDYFGQSZLJPVGZ-UHFFFAOYSA-N 357.366 2.849 50 50 FFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@H]2C1 4453561 YXDSZISETFFJSC-YJBOKZPZSA-N 365.387 2.710 50 50 FFGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 754338 VEPFZXWCHNILLX-QGZVFWFLSA-N 356.378 2.527 50 50 FFGA Cc1ccc2nc(NNC(=O)CCC(=O)O)nc(-c3ccccc3)c2c1 4812268 GAGYQIRXYSIVNG-UHFFFAOYSA-N 350.378 2.913 50 50 FFGA CNC(=S)NNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12 6734724 OMJDQOQKBARKNZ-UHFFFAOYSA-N 366.446 2.649 50 50 FFGA CCCc1[nH]nc2c1[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2 4813472 ZCJRHDMTNPCAHD-AWEZNQCLSA-N 370.409 2.606 50 50 FFGA O=C(NNC(=O)c1cccc2cccnc12)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 772629689 MCVVCZCXUONRGY-ILZDJORESA-N 372.428 2.907 50 50 FFGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Br)s1)C(C#N)=C(N)O2 714266 GYMQPSVIQTXTLI-LLVKDONJSA-N 365.208 2.990 50 50 FFGA Cc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)NN)cc1 1210669 OGZGVLLJUTVUSJ-XNTDXEJSSA-N 374.238 2.518 50 50 FFGA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 3035066 WYDWQCYYEGEIOE-INIZCTEOSA-N 363.333 2.900 50 50 FFGA Cc1cc(C)cc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 239038683 DRFLLNFZSRTEEU-OJVARPOJSA-N 364.239 2.813 50 50 FFGA CC(C)[C@H](NC(=O)c1nn(CCCCCCl)c2ccccc12)C(N)=O 96024677 VUPMALPMUYUYES-HNNXBMFYSA-N 364.877 2.685 50 50 FFGA in-vitro Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 643855 DQOPBBDEGXOTAG-NRFANRHFSA-N 369.384 2.505 50 50 FFGA COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 2542331 LESUBOPCPYBFLY-GOSISDBHSA-N 366.465 2.908 50 50 FFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@@H]2C1 19597215 OAENUUBPOGAWMI-MJGOQNOKSA-N 361.424 2.959 50 50 FFGA COc1ccc(C(=O)N/N=C/c2coc3ccccc3c2=O)cc1OC 2530420 ZMLYIXHPSYYEPS-KEBDBYFISA-N 352.346 2.574 50 50 FFGA COc1cc(/C=N\NC(=O)CNc2ccccc2C)cc(OC)c1OC 32606351 BEARYWKNMJXUGH-NHDPSOOVSA-N 357.410 2.583 50 50 FFGA Cc1cc(NC(=O)NNC(=O)c2ccoc2C)ccc1OC1CCOCC1 225852813 GJQWEUBTWHFGQU-UHFFFAOYSA-N 373.409 2.921 50 50 FFGA Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NN)cc3N2)cc1C 1069030 XUSNXVXTMCSOAW-WCQYABFASA-N 353.348 2.764 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)cc1OC 5359579 XHKXJHWPTIZNKA-SRZZPIQSSA-N 368.368 2.997 50 50 FFGA O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N/N=C/c1ccccc1Cl 253470669 XJIQIITUVZVXET-RQZCQDPDSA-N 362.729 2.849 50 50 FFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1 2098660 DNHTZQBXMYZRHP-VXLYETTFSA-N 361.785 2.533 50 50 FFGA C=C(C)[C@@H]1OCCC[C@H]1C(=O)NNC(=O)Nc1ccc(OC(F)F)cc1 1875294419 RGDMBRFFKTWSMX-KGLIPLIRSA-N 369.368 2.812 50 50 FFGA C[Si](C)(C)C#C/C=N/NC(=O)COc1ccccc1Br 196178258 WITIJVHDGRCJBD-CXUHLZMHSA-N 353.292 2.811 50 50 FFGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c1 1427731 QEIPRITYYQNAFH-QGZVFWFLSA-N 359.385 2.765 50 50 FFGA O=C(CC(=O)N/N=C/c1c(Cl)cccc1Cl)NCc1cccnc1 37866835 IFLZIPTXPRGXPW-UFFVCSGVSA-N 365.220 2.545 50 50 FFGA CC/C(CNC(=O)c1ccccc1)=N/NC(=O)CN(CC)c1ccccc1 5059266 ILVGLMIUTVGHTJ-NKFKGCMQSA-N 366.465 2.825 50 50 FFGA C#CCCC1(CCC(=O)NNc2ncccc2C(=O)OC(C)(C)C)N=N1 2325817457 NBHYHNMNYPLACV-UHFFFAOYSA-N 357.414 2.836 50 50 FFGA O=C(Cc1cccnc1)NNC(=O)Nc1ccc(COC2CCCC2)cc1 185980312 RYCDCJHDHMXSQU-UHFFFAOYSA-N 368.437 2.936 50 50 FFGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 4261239 WKQLYRLFCLECJE-SRZZPIQSSA-N 359.813 2.619 50 50 FFGA Cn1nccc1/C=N/NC(=O)COc1c(Cl)cc(Cl)cc1Cl 652387 MJQBTOACPJXASA-UBKPWBPPSA-N 361.616 2.909 50 50 FFGA CCOC(=O)[C@]1(F)CN(Cc2ccccc2)C[C@]1(F)CBr 261509059 ZLUQUKXGDRXZNC-HUUCEWRRSA-N 362.214 2.877 50 50 FFGA CC(=O)O[C@@H]1C[C@H]2[C@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245238495 RMADYUJTAOPBEY-VZFHVOOUSA-N 370.087 2.537 50 50 FFGA Cc1ccc(S(=O)(=O)C(C#N)=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 2053515152 FWZWVFYNNOYSEY-UHFFFAOYSA-N 372.358 2.970 50 50 FFGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3101269 JCYQIFBIWOPGFO-GIJQJNRQSA-N 360.757 2.645 50 50 FFGA Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)S/C1=C(/C#N)C(N)=O 33928391 QALYASFELYJORC-SWEXZPIWSA-N 363.442 2.907 50 50 FFGA Cc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1 239030904 CNZKMXHHLBQMEK-UQPQVDFHSA-N 350.212 2.505 50 50 FFGA COc1ccc(/C=N\NC(=O)c2cncc(Br)c2)c(OC)c1 22343362 KOBJJSFZGSOYQO-LSCVHKIXSA-N 364.199 2.625 50 50 FFGA COc1ccc(/C=N/NC(=O)c2ccc[n+](CC(=O)c3ccccc3)c2)cc1 1951795 ULCAHMQHCAKRKO-OEAKJJBVSA-O 374.420 2.630 50 50 FFGA CCCc1cc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cs1 2737995 APWUQIHXGASFMI-HUUCEWRRSA-N 364.467 2.909 50 50 FFGA CCOc1ccc(CC(=O)NNC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 2856263 SEAWWTHIHHLCFM-UHFFFAOYSA-N 374.422 2.554 50 50 FFGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 4981288 BYMFKIOOCWUQDY-NPNVKNKFSA-N 351.366 2.731 50 50 FFGA O=C(Cn1cnc2ccccc21)N/N=C/c1ccc(Br)cc1 5126047 IRKJNSLVHBHKTB-DJKKODMXSA-N 357.211 2.949 50 50 FFGA COc1cc([C@H](NC(=O)[C@@H](F)Cl)C(F)(F)F)cc(OC)c1OC 2325898139 UTJLUNJYXVJXLV-WDEREUQCSA-N 359.703 2.966 50 50 FFGA [O-][n+]1c2c([n+]([O-])c3ccccc31)[C@@H](Br)CC[C@@H]2Br 101172377 QOMQOTQNQHOFRC-YUMQZZPRSA-N 374.032 2.772 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(O)c1 670307 DOSNSRLGJXJESI-XDHOZWIPSA-N 356.382 2.911 50 50 FFGA Cc1ccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(C)o3)o2)o1 1216191 QTXFRZMCXQVRMZ-LQGKIZFRSA-N 368.349 2.610 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])[nH]n2)cc1 5297710 RUPAOJRMJGKVTB-YBFXNURJSA-N 365.349 2.757 50 50 FFGA O=C(CNC(=O)Nc1nccs1)N/N=C/c1c(Cl)cccc1Cl 2155806 MGWVXYAIYNPSMU-NGYBGAFCSA-N 372.237 2.722 50 50 FFGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2csc(C)c2C)C1 4651629 OTXVCCVZJUWJJE-QWHCGFSZSA-N 350.440 2.573 50 50 FFGA C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccccc1O 100254410 XIMDILWEQPWLEW-YBFXNURJSA-N 365.349 2.845 50 50 FFGA Cn1nnc2ccc(NC(=O)CCCC[C@@H]3CCSS3)cc2c1=O 218385068 RKQYMXKVCAZVLR-GFCCVEGCSA-N 364.496 2.981 50 50 FFGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CCc3ccccc3)[C@H]2C1 7999620 YFGUHYWOMGEAEG-VQTJNVASSA-N 357.461 2.897 50 50 FFGA aggregator COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc1OC 1062032 BBONWWGRAGFHFS-NSHDSACASA-N 366.299 2.664 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 4231410 SKWIRAIJZXSGGM-KGENOOAVSA-N 368.437 2.630 50 50 FFGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1 874852 COUFYMVDLRRZFG-NSHDSACASA-N 350.827 2.975 50 50 FFGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2 3035069 WYDWQCYYEGEIOE-MRXNPFEDSA-N 363.333 2.900 50 50 FFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2952401 IUSQTQKALNFSPG-GIJQJNRQSA-N 353.294 2.748 50 50 FFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1O 762959 PPUWGWYBDUYYEX-INIZCTEOSA-N 362.341 2.725 50 50 FFGA O=C(NN[C@@H]1[C@H]2CCCCC2=NN1C(=O)c1ccccc1)c1ccccc1 1195431 MSLBUQDXSJGGRA-HKUYNNGSSA-N 362.433 2.949 50 50 FFGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1O 1230126 PKDFMTJOFZDTHZ-REZTVBANSA-N 363.167 2.647 50 50 FFGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cccc2ccccc12 17074191 SRLWOXYCENILQP-UHFFFAOYSA-N 360.329 2.834 50 50 FFGA O=C(O)CCSSCCNC(=O)COc1ccc(Cl)c(F)c1 1875388727 ODDOIYIBPXGQTJ-UHFFFAOYSA-N 367.851 2.830 50 50 FFGA CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1O 847896 PGGZSARFUQOJGA-GIJQJNRQSA-N 364.199 2.712 50 50 FFGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1O 2543918 BTHLZLKPHJLGSE-MKFNJMOCSA-N 373.365 2.617 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1OC 6740042 XTUFOROSBDODPE-VCHYOVAHSA-N 356.407 2.919 50 50 FFGA Nc1ccccc1C(=O)N/N=C/c1cc2c(cc1Br)OCO2 1057240 KYAMPLYWBJHEFE-CNHKJKLMSA-N 362.183 2.524 50 50 FFGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1230145 RREJBNQQNDQZTH-UHFFFAOYSA-N 354.149 2.976 50 50 FFGA CCOC(=O)[C@@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])o1 6758339 FSVYWPLKNUMDGN-YUMQZZPRSA-N 370.981 2.950 50 50 FFGA COc1cc(/C=N/NC(=O)CSc2ccccn2)cc(Cl)c1O 1201334 GLSHHQSJLWJKRO-QGMBQPNBSA-N 351.815 2.692 50 50 FFGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccc3ccccc3c1)C(=O)N2 13583623 GBYRTFIXSBNOTB-UHFFFAOYSA-N 359.385 3.000 50 50 FFGA O=C(NNC(=O)c1cc(O)cc(O)c1)Nc1ccc(Cl)c(Cl)c1 13323372 OWDOXGLBPYSINC-UHFFFAOYSA-N 356.165 2.871 50 50 FFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1 1190040 SUBXPCQBRHUYPW-UDWIEESQSA-N 350.378 2.945 50 50 FFGA CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(=O)[nH]n2)cc(C(C)(C)C)c1O 5314271 GCYNBYAPGVIDPK-SRZZPIQSSA-N 370.453 2.834 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 2573584 RNPHGXVHAIBVDB-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OCC 4995304 HODLVCNISJEIKD-QGZVFWFLSA-N 367.405 2.699 50 50 FFGA Cc1c(C(=O)NN(CC2CCC2)C(=O)OC(C)(C)C)cnc2ccnn12 2325797140 PIDXHDGEWJEGAF-UHFFFAOYSA-N 359.430 2.720 50 50 FFGA C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)C1 229865876 PLAIMSXANCZSMY-MMMBSIAWSA-N 369.465 2.707 50 50 FFGA O=C(Cc1cccc2c1CCCC2)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 43761197 PPRWAMNHRPYFKJ-NDENLUEZSA-N 353.378 2.872 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)c(OC)c1 1192517 VMTKBGKWIQNPLV-BUESGFEBSA-N 374.466 2.742 50 50 FFGA COc1ccccc1C(=O)NNC(=O)c1ccc(C)c(Br)c1 2860550 CJALXXLGZSKMHY-UHFFFAOYSA-N 363.211 2.841 50 50 FFGA C[C@]12CC[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1C[C@@H](O)[C@]2(O)C#N 253500094 VZFYGLAXUCFBQI-GOOGABOYSA-N 373.493 2.918 50 50 FFGA biogenic CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)c1 968806 DWMTYZOKRHMIKP-UDWIEESQSA-N 350.378 2.945 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 4737856 YSWAXYUGZJTAHJ-XDHOZWIPSA-N 356.382 2.911 50 50 FFGA COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 822275 STSWKDJVYWGEQG-FYJGNVAPSA-N 367.405 2.595 50 50 FFGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 5889285 JDMVEGHREWDNDB-UHFFFAOYSA-N 365.780 2.816 50 50 FFGA Cc1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1C 239231240 VEPIMNVKKALHAX-SLQSZJTJSA-N 364.239 2.813 50 50 FFGA Cn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nc2ccccc21 945948 OQPWKPCQOBYJOC-VCHYOVAHSA-N 369.406 2.724 50 50 FFGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1O 2571770 MLXQESYFPOSFHQ-VXLYETTFSA-N 361.785 2.533 50 50 FFGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 25539075 XCUPRQSJEAEAFY-SRZZPIQSSA-N 359.813 2.619 50 50 FFGA COCCCNC(=S)NNC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 13496783 ASGWTNBULYWGIE-HOTGVXAUSA-N 363.527 2.619 50 50 FFGA CC[C@H](C)NC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 2794080 GJCUELKYYDEPRY-QMMMGPOBSA-N 367.368 2.831 50 50 FFGA CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CCC(C(=O)NC)CC2)c1C 222165667 NTIFYYVZGTXKJK-LDADJPATSA-N 370.497 2.843 50 50 FFGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1O 4360129 BTHLZLKPHJLGSE-ZGXHQARYSA-N 373.365 2.617 50 50 FFGA C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc(Br)cc1 14920777 NUEBLQNQUCHFDW-WOJGMQOQSA-N 372.226 2.734 50 50 FFGA C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]2(O)C#N)OCCO3 254596425 VZFYGLAXUCFBQI-KCWXZKQISA-N 373.493 2.918 50 50 FFGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1ccc(C)c(Cl)c1 6278475 UXRDLKMJDIPXON-DEDYPNTBSA-N 371.828 2.964 50 50 FFGA CSc1ccc(O[C@H](C)C(=O)NNc2nc(-c3ccncc3)no2)cc1 364261839 SVCQEDSVCGQOAT-LLVKDONJSA-N 371.422 2.764 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)c(O)c1 946164 TYLGKJYQQKEWEX-UDWIEESQSA-N 355.442 2.604 50 50 FFGA O=C(N/N=C/c1ccc(O)cc1O)c1cc(-c2ccc(Cl)cc2)n[nH]1 17162570 YLBPITQCXTXZJI-DJKKODMXSA-N 356.769 2.905 50 50 FFGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2)sc2c1CCCC2 4210915 KGUOUGKEZGKGNH-RGVLZGJSSA-N 352.419 2.587 50 50 FFGA O=C(NNC(=O)c1cccc2cccnc12)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 772629691 MCVVCZCXUONRGY-IMFGXOCKSA-N 372.428 2.907 50 50 FFGA COc1ccccc1-c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1 17159445 OCOXPLOZRZRYIJ-YBFXNURJSA-N 365.349 2.757 50 50 FFGA COc1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 4329714 MJMDTMUQUXUSDM-CIAFOILYSA-N 363.373 2.643 50 50 FFGA C[C@@H]1CN(CC(=O)NN=C(c2ccccc2)c2ccccc2)C[C@@H](C)O1 20405734 CGMYGPAGIWQBBA-IAGOWNOFSA-N 351.450 2.664 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccncc1 1218227 KAWJNAVIHGGEHF-CQSZACIVSA-N 360.333 2.598 50 50 FFGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@H]2C1 15221759 OAENUUBPOGAWMI-PKOBYXMFSA-N 361.424 2.959 50 50 FFGA CC(C)(C)[Si](O[C@H]1C=CO[C@@H]1CO)(c1ccccc1)c1ccccc1 195867800 KBTVVVZXWWKUKA-VQTJNVASSA-N 354.522 2.836 50 50 FFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(Cl)cc1 4210778 DTMYJHIQIHFJQB-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA CC(/C=N/NC(=O)CC(=O)N/N=C/C(C)=C/c1ccco1)=C\c1ccco1 5826474 VRKBBSYAWKDXCQ-CZHFOIAVSA-N 368.393 2.974 50 50 FFGA Cc1cccc(C(=O)NNC(=O)COc2cccc3ccccc23)c1O 1199852 FWRVUBJCNUFQQX-UHFFFAOYSA-N 350.374 2.694 50 50 FFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(C)c1OC 1227952 OJBXHBMITPVELT-MRXNPFEDSA-N 358.394 2.657 50 50 FFGA CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 4038090 WAODMRRCTOQKSX-MRXNPFEDSA-N 352.390 2.648 50 50 FFGA CCC(C(=O)N/N=C/c1ccccc1C)C(=O)N/N=C/c1ccccc1C 39959617 JAHKZMZBWJRHRW-MSKUYSOUSA-N 364.449 2.930 50 50 FFGA O=C(NN=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c1ccc(O)cc1 6529191 JUZLEZLEQYFIOQ-UHFFFAOYSA-N 361.357 2.817 50 50 FFGA COc1ccc(O)c(/C=N/NC(=O)[C@@H](C)Oc2cccc3cccnc23)c1 1214600 ILXPXICARNSZIA-UMYHVIPVSA-N 365.389 2.867 50 50 FFGA Cc1ccccc1OCC(=O)NNC(=O)c1ccccc1Br 940932 OWUYTGCMOASWJO-UHFFFAOYSA-N 363.211 2.598 50 50 FFGA C=CCNC(=S)NNC(=O)COc1c(Cl)cc(Cl)cc1Cl 2858683 KXBKBDPNGMITFU-UHFFFAOYSA-N 368.673 2.707 50 50 FFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)c1 4292376 KKZFKWOVKRMFNS-KGENOOAVSA-N 351.406 2.903 50 50 FFGA N#CC1=C(N)SC(N)=C(C#N)C1c1cc(Br)ccc1F 20406635 AYBUTLKRZVFOKK-UHFFFAOYSA-N 351.204 2.806 50 50 FFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(cc1Cl)OCO2 643851 VQTVRGXYSNHFQE-OAHLLOKOSA-N 362.769 2.713 50 50 FFGA O=C(NNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 5756730 UMNWIEUUCBURJR-UHFFFAOYSA-N 370.280 2.763 50 50 FFGA COc1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1OC 6398560 INFDBEFSJSAQCA-UHFFFAOYSA-N 359.451 2.654 50 50 FFGA Cc1occc1C(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 225852310 DETZVPBOALQAJG-UHFFFAOYSA-N 370.268 2.564 50 50 FFGA COc1cc(/C=N\NC(=O)CSc2nc3ccccc3o2)ccc1O 32625376 PGJPZKDKAIILEY-NVMNQCDNSA-N 357.391 2.784 50 50 FFGA Cc1nnc(SCC(=O)N/N=C/c2ccccc2)n1-c1ccccc1 1209576 IWHQNECCOOCAGQ-XDHOZWIPSA-N 351.435 2.818 50 50 FFGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4282190 JLFUQYPPJYDTPK-SRZZPIQSSA-N 370.405 2.803 50 50 FFGA COc1ccc(NC(=O)NNC(=S)NC2CCCCC2)cc1OC 1118159 IOHHVODRTFNXRI-UHFFFAOYSA-N 352.460 2.537 50 50 FFGA CCCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N 1608677 UDCIYVVYDCXLSX-KAMYIIQDSA-N 356.517 2.731 50 50 FFGA in-man C[C@H]1CN([C@H](CNC(=O)[C@@H](C)Cl)c2c(F)cccc2F)C[C@@H](C)O1 1875364422 QMPNPPSETGNSAZ-NWJSVONSSA-N 360.832 2.859 50 50 FFGA NC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 3141672 XRMXXKJEJUBYIU-GIJQJNRQSA-N 362.183 2.671 50 50 FFGA COCc1cc(/C=N/NC(=O)COc2cccc(C)c2C)ccc1OC 2763083 WESGHCWKPOSNKP-SRZZPIQSSA-N 356.422 2.988 50 50 FFGA O=C(CCn1nnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12 1293689 UAGIIMCUTVUENJ-FYJGNVAPSA-N 359.389 2.831 50 50 FFGA NNC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(Br)cc12 13125691 FUUVALGBFYPKBU-UHFFFAOYSA-N 358.195 2.973 50 50 FFGA O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1cccc(Br)c1 2892370 NLNRHWMNJMJRHK-GIJQJNRQSA-N 364.174 2.677 50 50 FFGA O=S(=O)(CCCCCl)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 285428363 WJTBPXOENUTOTD-IXDOHACOSA-N 357.903 2.840 50 50 FFGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 2383760 XYOAKXQLRBWKTH-UFFVCSGVSA-N 365.311 2.803 50 50 FFGA CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 4366551 OADMSAQWDACPQT-HCZVKUGISA-N 357.366 2.911 50 50 FFGA COCCCNC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 13496782 ASGWTNBULYWGIE-JKSUJKDBSA-N 363.527 2.619 50 50 FFGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 626032 UJUKDTPFNKNATE-ZDUSSCGKSA-N 359.179 2.929 50 50 FFGA O=C(O)[C@H](Br)[C@H](Br)c1ccccc1[N+](=O)[O-] 1557414 ZZBGCCIQPYEBFF-HTQZYQBOSA-N 352.966 2.879 50 50 FFGA in-vitro CCOC(=O)C1=C(CBr)N(C)C(O)=N[C@@H]1c1ccccc1 1065556 QMPAHXHKKWCOIH-CYBMUJFWSA-N 353.216 2.799 50 50 FFGA OB(O)c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 217080105 PZDWKAXANGABFR-UHFFFAOYSA-N 353.190 2.552 50 50 FFGA C/C(=N/NC(=O)c1ccccc1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25763011 IIPNWUAPALGKKV-UNOMPAQXSA-N 364.365 2.638 50 50 FFGA Cc1cc2c(c(=O)o1)[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2 783173 HQTWOJWKEAIUFT-CYBMUJFWSA-N 359.179 2.929 50 50 FFGA C[C@@H]1Cc2ccc(c3c2C(=O)OC3=O)CCc2ccc1c1c2C(=O)OC1=O 101013467 FTPQORRFCWPKHF-SECBINFHSA-N 362.337 2.753 50 50 FFGA O=C(NNC(=S)NC1CC1)c1ccc(COc2ccccc2Cl)o1 17075160 BIIBKWVREWKBSM-UHFFFAOYSA-N 365.842 2.783 50 50 FFGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)c1 5313748 LKHBXEHTYOJLSO-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA C=C[Si]1(C)O[Si@@](C)(c2ccccc2)O[Si@](C)(c2ccccc2)O1 1857666274 JVTCROWLIQGSCT-DHIUTWEWSA-N 358.618 2.805 50 50 FFGA CCCc1n[nH]c2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2 4592530 UYUNBALQRCFOJG-OAHLLOKOSA-N 370.409 2.606 50 50 FFGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CCC2 1080062 KAFOFPAACXAPNS-GOSISDBHSA-N 352.438 2.662 50 50 FFGA Cc1c(Cl)cccc1NC(=O)NNS(=O)(=O)c1ccc(F)cc1 2852377 OUQCMMXUEFFKNU-UHFFFAOYSA-N 357.794 2.803 50 50 FFGA Cc1nn(C)c(C(=O)N/N=C/c2cc(Br)ccc2O)c1Cl 667194 SKEYXYPQRNIAGX-OMCISZLKSA-N 371.622 2.614 50 50 FFGA C[C@H]1[C@H](OC(=O)N(C)C)[C@]2(CO)O[C@@H]1C[C@H]2O[Si](C)(C)C(C)(C)C 257357340 NNQZWDRPVUXHIT-MNLSVMLLSA-N 359.539 2.613 50 50 FFGA CC(C)(C)OC(=O)N(Cc1ccc(B(O)O)c(F)c1)C1CCCCC1 230552498 IUBOHEZCGLVWPZ-UHFFFAOYSA-N 351.227 2.575 50 50 FFGA O=C(NCc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccccc1F 2892398 HRLRGZKLFZKYJQ-ZVBGSRNCSA-N 368.195 2.899 50 50 FFGA Cc1cccc2c1N(C(=O)C(=O)NNc1ncc(Cl)cc1Cl)CC2 119379916 ZFJNYTOTBWLUKC-UHFFFAOYSA-N 365.220 2.729 50 50 FFGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1cccc(O)c1 4976890 MABZZNFRNCKGLM-KRWDZBQOSA-N 362.341 2.731 50 50 FFGA CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)CCC(=O)O)csc2C1 2113192 UQLRJMPIJLAPPH-JTQLQIEISA-N 352.456 2.525 50 50 FFGA COc1cc(OC)cc(C(=O)N/N=C\c2coc3ccccc3c2=O)c1 32578319 WVXQUSFYDSHBGK-JMIUGGIZSA-N 352.346 2.574 50 50 FFGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1O 4282748 IUULCILWQZXVDE-RGVLZGJSSA-N 357.797 2.863 50 50 FFGA COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)c1ccccc1C2=O 100406027 COIKBYMMWGVUSG-MRXNPFEDSA-N 358.353 2.836 50 50 FFGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(CN2CCOCC2)cs1 19874018 HAQNOMZRGLUOLH-SFHVURJKSA-N 369.446 2.504 50 50 FFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(Cl)cc1Cl 100174309 XMQOLXQQWZGEKD-ZDUSSCGKSA-N 365.172 2.657 50 50 FFGA COc1ccccc1/C=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 946108 DNBMMBYHORBAHT-YBFXNURJSA-N 365.349 2.757 50 50 FFGA COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccco2)C(C#N)=C(N)O3)c1 5074948 XFTVQBONBVUAIO-OAHLLOKOSA-N 364.361 2.905 50 50 FFGA Cc1nn(C)c(NC(=O)CBr)c1C(=O)c1ccccc1Cl 71767443 SYEWZKQAPIBQQA-UHFFFAOYSA-N 370.634 2.946 50 50 FFGA CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 4372883 VMTRDBDEYVYZMK-KZKLBEMASA-N 357.366 2.911 50 50 FFGA CC(C)OC(=O)/C(C#N)=C/c1c(Br)n[nH]c1Br 821031462 JNTZWAWHRFVENM-ZZXKWVIFSA-N 363.009 2.793 50 50 FFGA CCOc1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccccc2OC)cc1 1118296 DAQMRTOCRSRRTP-CYBMUJFWSA-N 373.409 2.714 50 50 FFGA O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc[nH]1 2326257 FHVATFUHFRZYLT-REZTVBANSA-N 356.607 2.960 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1cccc([N+](=O)[O-])c1 5593555 ZXQNDSHWFDFODC-CQSZACIVSA-N 360.333 2.598 50 50 FFGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccccc1)C(C#N)=C(N)O2 1302667 TVIFBRXNKFYQDQ-IBGZPJMESA-N 370.412 2.818 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1 9110994 JFIMOGJMEGUICT-WSDLNYQXSA-N 374.400 2.726 50 50 FFGA COCn1nc(Br)c2cccc(NC(=O)[C@H](F)Cl)c21 2325898571 MANUPPACQVYIKG-JTQLQIEISA-N 350.575 2.876 50 50 FFGA COC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1CBr 169992539 ACFMLVDUFZHNLU-UHFFFAOYSA-N 355.037 2.667 50 50 FFGA Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NN)cc3N2)cc1C 1069028 XUSNXVXTMCSOAW-DGCLKSJQSA-N 353.348 2.764 50 50 FFGA Cc1ccc(C)c(S(=O)(=O)NNC(=O)Nc2ccccc2Cl)c1 15933847 SFAGQTVRERNIRP-UHFFFAOYSA-N 353.831 2.972 50 50 FFGA CCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1O 2381294 CZKWSHDQZZUPBG-RGVLZGJSSA-N 374.393 2.581 50 50 FFGA Cc1ccccc1NC(=S)NNC(=O)c1ccc(Br)o1 654441 TVAAKDPSVLJTNG-UHFFFAOYSA-N 354.229 2.982 50 50 FFGA CCOC(=O)[C@@H](Br)CCC[C@@H](Br)C(=O)OCC 1688333 SPJSPERKKWTTBF-DTORHVGOSA-N 374.069 2.810 50 50 FFGA in-vitro COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc([N+](=O)[O-])c1O 1780869 FHIWUJNJGCQSDL-NTUHNPAUSA-N 360.347 2.647 50 50 FFGA CCOc1ccc(CC(=O)NNC(=O)NC2CCCCC2)cc1OCC 6964282 MRDOWOKNRBOGRG-UHFFFAOYSA-N 363.458 2.690 50 50 FFGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)[C@@H]1COc2ccccc2O1 12343104 PFQKZUJMDVQXRX-GUFPCFMESA-N 366.373 2.761 50 50 FFGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1 4230289 BXBSPTOZRZUJAQ-WSDLNYQXSA-N 371.824 2.785 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)c(OC)c1 5402650 YYDDRNCKXIGKRJ-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA C=CCOc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 4366486 UWLFDIHALKSUBX-XDHOZWIPSA-N 355.350 2.689 50 50 FFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(Cl)c1Cl 100174883 DLOXBTHYOMNVRQ-GFCCVEGCSA-N 365.172 2.657 50 50 FFGA O=C(NNC(=S)NC1CCCCC1)c1ccc(Br)cc1 951643 YPWZPAOGKWHHLC-UHFFFAOYSA-N 356.289 2.891 50 50 FFGA Cc1cc(CSCC(=O)N/N=C/c2ccc(O)cc2O)cc(C)c1O 1066190 MSNXDAIWQJADNX-UFWORHAWSA-N 360.435 2.804 50 50 FFGA Cc1cc2c(c(=O)o1)[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2 783172 HQTWOJWKEAIUFT-ZDUSSCGKSA-N 359.179 2.929 50 50 FFGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1O 5296960 SWLCTXBNQFJPPE-UDWIEESQSA-N 350.378 2.945 50 50 FFGA COc1ccc(/C=N\NC(=O)[C@H](O)c2ccc(Br)cc2)cc1 32650022 LZCKZVZSEHBHAU-YQYFLZKSSA-N 363.211 2.641 50 50 FFGA COC(O)=C1C=CC(=N/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)C=C1 334158546 UKIGRSYIWIVSFJ-HJNKEBLUSA-N 372.402 2.817 50 50 FFGA CCNC(=S)NNC(=O)[C@H](CC)Oc1cc(Cl)ccc1Cl 6678175 BPAAJYJTTFWNBS-JTQLQIEISA-N 350.271 2.666 50 50 FFGA N#Cc1ccc(C(=O)NNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 127508778 UZJASZLWWPVYQT-SFHVURJKSA-N 366.396 2.759 50 50 FFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(OCC)cc2)c1 3093594 NPAPLTMYJBBJTE-KGENOOAVSA-N 367.405 2.739 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Cl 3080488 YDXRCBLSZMDHBR-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA CNC(=S)NNC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12 6860637 CRZMRKQTUJHCEB-UHFFFAOYSA-N 350.447 2.949 50 50 FFGA Cc1cc2c(c(=O)o1)[C@@H](c1cc(Br)cs1)C(C#N)=C(N)O2 755784 CHCGMSFETRJDFB-LLVKDONJSA-N 365.208 2.990 50 50 FFGA C=CC(=O)Nc1ccc(C(=O)NNC(=O)Nc2cccc(Cl)c2)cc1 1875370981 KIRUCRSDFRCUDS-UHFFFAOYSA-N 358.785 2.931 50 50 FFGA C=CCOc1ccc([C@@H]2[C@H]3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 12292255 KKUIZSGMROTLRZ-VQTJNVASSA-N 371.444 2.607 50 50 FFGA CCCc1cc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cs1 2737996 APWUQIHXGASFMI-GJZGRUSLSA-N 364.467 2.909 50 50 FFGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cnccn1 4282362 GOWIOEFDCBLWQU-KEBDBYFISA-N 352.375 2.521 50 50 FFGA COc1ccc(C)c(OC)c1C(=O)NCCSSCCC(=O)O 1875388734 OMDZJASYEXTSPS-UHFFFAOYSA-N 359.469 2.598 50 50 FFGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1 4231375 BWKMAHWWTJXLRY-ZVHZXABRSA-N 374.444 2.786 50 50 FFGA COc1ccc(CCC(=O)NNC(=O)Nc2ccc(C(C)=O)cc2)cc1 2856268 RTVZJTAITIDURY-UHFFFAOYSA-N 355.394 2.683 50 50 FFGA COc1ccccc1N(C(=O)CCl)[C@@H]1CC(=O)N(c2ccccc2)C1=O 74941648 PVFYZBMSHHBHQE-OAHLLOKOSA-N 372.808 2.599 50 50 FFGA O=C(CCCCC(=O)N/N=C/c1ccccc1)N/N=C/c1ccccc1 2166085 HCIIKBJMNCAZCI-YHARCJFQSA-N 350.422 2.847 50 50 FFGA C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1cccnc1 6691596 FDUFLKYKEKIYCE-ALCCZGGFSA-N 373.228 2.622 50 50 FFGA Cn1cc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c2ccccc21 130042939 MKVCZCJUQOHETM-LSTHTHJFSA-N 374.444 2.851 50 50 FFGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OC 854886 AUNGFPIYJRJPSD-VXLYETTFSA-N 370.434 2.823 50 50 FFGA Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c(O)c1 1205457 MVFVYIFYBSRQCZ-VXLYETTFSA-N 354.435 2.830 50 50 FFGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2C)ccc1O 1245779 QCNKQGRHMSBBSM-VXLYETTFSA-N 370.434 2.530 50 50 FFGA O=C(CCBr)NC(=O)Oc1ccc(Br)cc1 2963992 QKIHGYXHDVJLFH-UHFFFAOYSA-N 350.994 2.849 50 50 FFGA O=C(NC(C1CCCCC1)C1CCCCC1)c1ccc(B(O)O)c(F)c1 169744486 XFDZWRFUXBAOBR-UHFFFAOYSA-N 361.266 2.765 50 50 FFGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)ccc1O 2591778 VEMHKWUCAGQSMO-RGVLZGJSSA-N 366.377 2.563 50 50 FFGA CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1O 844733 PSXIXWPQWQJAHG-VXLYETTFSA-N 370.434 2.910 50 50 FFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1O 1458010 DLHOFHQHBJFIEU-LZYBPNLTSA-N 364.155 2.827 50 50 FFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@@H]2I)N31 217519983 DTKNYSHMNMVGAO-MZPMUGIBSA-N 357.035 2.740 50 50 FFGA CC1(C)Cc2c(sc3nc(NNC(=O)c4ccccc4)[nH]c(=O)c23)CO1 18087616 FDKNJHIKIAOJRJ-UHFFFAOYSA-N 370.434 2.593 50 50 FFGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1sc2ccccc2c1Cl 6330213 KNSOYQQQIDXEEI-VIFPVBQESA-N 369.899 2.843 50 50 FFGA COc1ccc(/C=N/NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 1201901 MLXXABHEMPEUAO-SRZZPIQSSA-N 366.373 2.639 50 50 FFGA CCOc1ccccc1/C=N/NC(=O)c1cc(OC)c(OC)c(OC)c1 3576366 LGWTZXULLBFTGJ-UDWIEESQSA-N 358.394 2.875 50 50 FFGA COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H](F)Cl)C2 2325897866 LDRYFKWZEQIBSV-MRVPVSSYSA-N 356.600 2.674 50 50 FFGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)ccc1O 4312112 IRJJPTMFSPYUMC-GIJQJNRQSA-N 356.407 2.925 50 50 FFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(Cl)cc1 4259876 ZTXYYGMTVPYMJE-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1O 13598871 QODVBPOSQBBABV-SRZZPIQSSA-N 370.434 2.910 50 50 FFGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2OC)n[nH]1 5402891 CUDWEYAGBDNUIM-UDWIEESQSA-N 350.378 2.858 50 50 FFGA C[C@H](c1ccc(B(O)O)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1 230542505 ZOZNDXCEIZMXDB-OAHLLOKOSA-N 363.383 2.914 50 50 FFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1Cl 3032142 GCDATXFBRHRXGH-AWQFTUOYSA-N 350.205 2.874 50 50 FFGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c1 6736054 GZYVUMWDKHTLQJ-NTUHNPAUSA-N 352.346 2.978 50 50 FFGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3CCCC[C@H]3C(=O)O)csc2C1 239030857 CLIRJPAMEQUPHQ-RAIGVLPGSA-N 364.467 2.525 50 50 FFGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccccc2C(F)(F)F)c1 4229794 LKTXPTHLHJCRID-AUEPDCJTSA-N 363.339 2.894 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OC)[nH]n2)cc1 1800337 RJFVQUANUNVDIB-UDWIEESQSA-N 350.378 2.858 50 50 FFGA CCCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)c2ccccc21 1420901 QLUMOHBFVQLDDJ-GTJPDFRWSA-N 363.417 2.658 50 50 FFGA O=C(N/N=C/c1ccc(F)cc1)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 1086771 JSOUCDMETKKOOF-RGVLZGJSSA-N 367.340 2.743 50 50 FFGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1O 1210865 ZEFQMRXKDYFFHS-GIJQJNRQSA-N 356.407 2.520 50 50 FFGA COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)c1ccccc1C2=O 753409 COIKBYMMWGVUSG-INIZCTEOSA-N 358.353 2.836 50 50 FFGA C=CCOc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 2055535 MWMFPZZXWQEIMK-HFITWMCCSA-N 351.406 2.579 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 3092224 OFKIMEBKDJYBCC-KEBDBYFISA-N 373.796 2.524 50 50 FFGA O=C(CSCc1ccccc1)NNC(=S)NCCc1ccccc1 6529450 UNYOMUTWAMGVKE-UHFFFAOYSA-N 359.520 2.658 50 50 FFGA C=C[Si]1(C)O[Si](C)(c2ccccc2)O[Si](C)(c2ccccc2)O1 198089819 JVTCROWLIQGSCT-UHFFFAOYSA-N 358.618 2.805 50 50 FFGA C[C@H](c1ccccc1)N1C[C@H](C(=O)NNc2ccc(F)c(C#N)c2)CC1=O 2325819757 OZWDDSHEQHHJCU-CZUORRHYSA-N 366.396 2.750 50 50 FFGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(Oc3ccccc3)ccc21 261507667 KXMCWYXICMXKDS-UHFFFAOYSA-N 353.183 2.897 50 50 FFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(F)c3)[nH]n2)cc1OC 5350443 BZJJLKYGOGFZCB-SRZZPIQSSA-N 368.368 2.997 50 50 FFGA COc1ccc(NC(=S)NNC(=O)COc2ccccc2Cl)cc1 2571209 MBYVCADPIKNLOD-UHFFFAOYSA-N 365.842 2.745 50 50 FFGA O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 2571798 QEPJKPZLUYYFPY-QGMBQPNBSA-N 352.177 2.788 50 50 FFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1OC 625601 BRQFEESCSQEAAU-HNNXBMFYSA-N 356.378 2.527 50 50 FFGA C/C(=N\NC(=O)c1ccccc1I)c1ccccn1 17075011 OUZLPTUMRXJZJM-LICLKQGHSA-N 365.174 2.840 50 50 FFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2)cc1 4261224 XXGKGLFWCCYJEJ-HYARGMPZSA-N 353.422 2.746 50 50 FFGA CC(C)OCCCNC(=S)NNC(=O)c1ccc(Cl)c(Cl)c1 13519234 JQQDWCHKKRCDTL-UHFFFAOYSA-N 364.298 2.917 50 50 FFGA COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c1OC 4592559 UFWFTWDWSPPBCC-ZDUSSCGKSA-N 354.410 2.943 50 50 FFGA CCOC(=O)C/C(=N/NC(=O)Cc1c[nH]c2ccccc12)C(F)(F)F 5716631 NRCSCZZCMCTKHO-BKUYFWCQSA-N 355.316 2.698 50 50 FFGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 22779760 ADKCJVBJWFIVPV-QGZVFWFLSA-N 373.368 2.970 50 50 FFGA COC(=O)c1cc(C2C(C#N)=C(C)NC(C)=C2C#N)c(OC)cc1OC 632730 PAHLBFSYYPQNCN-UHFFFAOYSA-N 353.378 2.772 50 50 FFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1 805651 XZLNLOGXVHIPRF-XDHOZWIPSA-N 356.382 2.911 50 50 FFGA COc1cccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 1211395 MVANZBAPAPOSMY-SVZNOHIVSA-N 351.406 2.507 50 50 FFGA COc1ccc(OCC(=O)N/N=C2\C(=O)Nc3c(C)ccc(Cl)c32)cc1 6797648 WDOYAWGGSBDYOS-UHFFFAOYSA-N 373.796 2.508 50 50 FFGA O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 238997294 ADFGUJBAULKYEF-DZDPUUJWSA-N 370.630 2.850 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)cc1O 2686209 AOYAOCBOGIJNKS-IMRMQAIZSA-N 352.394 2.537 50 50 FFGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(F)F 706804 DAXKNTGPIMMPOA-CQSZACIVSA-N 362.336 2.936 50 50 FFGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1 4230180 BOZBDMCRLDHBRG-RGVLZGJSSA-N 358.829 2.803 50 50 FFGA O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 55071971 ILTNLIIJGDXSHO-UHFFFAOYSA-N 352.394 2.977 50 50 FFGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1C(F)(F)F 4303059 XQNYERIPLBKGPH-NUGSKGIGSA-N 367.302 2.725 50 50 FFGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccc2[nH]cnc2c1 4954881 UIULPKZLAMZOQN-FBCYGCLPSA-N 359.183 2.795 50 50 FFGA CCOC(=O)c1[nH]nc2c1[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1848444129 ODPGGLNAJAWRGL-AWEZNQCLSA-N 352.394 2.928 50 50 FFGA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1ccccc1 5612584 VZTNHLDRUSLOJQ-UHFFFAOYSA-N 358.195 2.844 50 50 FFGA Cc1ccc(S(=O)(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)cc1 1383996 RLYHABGSRFUOAL-IZZDOVSWSA-N 350.827 2.671 50 50 FFGA Cc1cc(NNC(=O)[C@@H](C(C)C)N2CCCC2=O)ccc1Br 114889086 GLTGMECOMIHALS-OAHLLOKOSA-N 368.275 2.848 50 50 FFGA Cc1c(C(=O)NNC(=O)Nc2ccc(F)cc2F)cccc1[N+](=O)[O-] 2852477 MIHCXAIEAXVUCL-UHFFFAOYSA-N 350.281 2.648 50 50 FFGA O=S(=O)(CCCCCl)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 285428361 WJTBPXOENUTOTD-BRWVUGGUSA-N 357.903 2.840 50 50 FFGA Cn1nccc1[C@H]1CC/C(=N\NC(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1 1875279771 CSIPGSBQWDUELG-NNRLEXBVSA-N 352.438 2.938 50 50 FFGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 2379891 MVIKRGQSICMJIF-KGENOOAVSA-N 369.421 2.963 50 50 FFGA CC(C)=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 5006448 HKHXMAORXVTKQY-UHFFFAOYSA-N 359.451 2.702 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)cc1OC 2686203 MLAVBYXSAZSNOT-DACUGSJHSA-N 366.421 2.840 50 50 FFGA O=C(N/N=C/c1ccc(I)o1)c1cccc(F)c1 1229819 ZLEUEMONWNRANJ-VIZOYTHASA-N 358.110 2.787 50 50 FFGA Cc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 5615124 OEWXMUZFTUEBAG-UHFFFAOYSA-N 358.195 2.844 50 50 FFGA COc1ccc([C@@H](Br)[C@H](Br)C(=O)O)cc1OC 2164035 ZUYVAEFYQVUCEP-ZJUUUORDSA-N 368.021 2.988 50 50 FFGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Br)cc1 4292998 XPWXCLXSJKWDHJ-KEBDBYFISA-N 374.238 2.638 50 50 FFGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C1\CCOc2ccccc21 8720930 ZWHUIZJBNYXYOH-WOVJWYHUSA-N 355.350 2.665 50 50 FFGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1c2ccccc2cc2ccccc12 100567817 YUHIJUHTYLOHBM-FNLSEGDXSA-N 358.401 2.955 50 50 FFGA COc1nn([C@H](C)C(=O)N/N=C/c2cccc3ccccc23)cc1[N+](=O)[O-] 695895 NHUYCBRYMJLFKD-AINDZBIGSA-N 367.365 2.664 50 50 FFGA C/C(=N\NC(=O)c1ccncc1)c1cccc(NC(=O)c2cccnc2)c1 17074092 HMBJQPWAVWAVMC-ZVHZXABRSA-N 359.389 2.883 50 50 FFGA Cc1nc(N2CCOCC2)sc1C(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1875390457 CPNXPBSVGVVGGE-YEKQEAONSA-N 374.510 2.830 50 50 FFGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1O 17015813 SUXKLJDAVVSKIH-KEBDBYFISA-N 354.341 2.694 50 50 FFGA C#CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc2ccccc12 2544204 NUTXPMLHEYRBKC-HZHRSRAPSA-N 371.396 2.941 50 50 FFGA CC[C@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)C(C)(C)C 2883272 YVYOMUKKFUFQJK-LBPRGKRZSA-N 365.499 2.647 50 50 FFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 945826 DAHUMRUNLLQFNZ-VCHYOVAHSA-N 354.391 2.689 50 50 FFGA COc1ccc(COC(=O)N/N=C(\C)CC(=O)NCc2ccco2)cc1 12343167 DVCGUWJKXCWOSK-DEDYPNTBSA-N 359.382 2.597 50 50 FFGA O=C(CCl)[C@@H](NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 2896935 XTGQHVHOCPXHOQ-SECBINFHSA-N 365.065 2.512 50 50 FFGA O=C(CSc1nc2ccccc2o1)N/N=C\c1cc([N+](=O)[O-])ccc1O 15746508 QMERIQAQRKFQAW-IUXPMGMMSA-N 372.362 2.684 50 50 FFGA N#CC1=C(N)Oc2[nH]nc(-c3ccncc3)c2[C@@H]1c1ccc(F)c(F)c1 759061 IXZUTOZATZXXCE-CQSZACIVSA-N 351.316 2.968 50 50 FFGA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1C 239412464 SSEYSTVHQULNHX-MBIARJLFSA-N 364.239 2.813 50 50 FFGA CCOC(C)(OCC)C(=O)NNC(=O)Nc1c(CC)cccc1CC 225851631 VVVOKHLLSIOZRO-UHFFFAOYSA-N 351.447 2.753 50 50 FFGA Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)c1ccc(Br)cc1 5520576 SVOMGUPJXFZZOI-RGEXLXHISA-N 372.222 2.868 50 50 FFGA CC(=O)O[C@@H]1[C@@H](Br)[C@@H]2C[C@H]1NC2(C(F)(F)F)C(F)(F)F 36034438 FCKCEYSPFMHAJD-VZFHVOOUSA-N 370.087 2.537 50 50 FFGA Cc1cc2c(c(=O)o1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2 626035 UJUKDTPFNKNATE-CYBMUJFWSA-N 359.179 2.929 50 50 FFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@H]2I)N31 252430687 DTKNYSHMNMVGAO-YADXBNBASA-N 357.035 2.740 50 50 FFGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(O)cc1 2141492 OWELOJSNWIUQLR-DNTJNYDQSA-N 366.204 2.579 50 50 FFGA COc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 1211956 HYMWOUHJTBUXMM-VPNURPJOSA-N 371.824 2.852 50 50 FFGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 4372652 CMZUUJUUBYYZGI-XDHOZWIPSA-N 355.350 2.689 50 50 FFGA Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1 6527710 TVGUABGIDFVHEA-XNTDXEJSSA-N 369.446 2.805 50 50 FFGA CCc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 2764052 DVIPTSFIYSJOPZ-ZDUSSCGKSA-N 371.393 2.694 50 50 FFGA CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(OC(C)=O)c1 1216505 JLDYXUWRMIJZMR-KEBDBYFISA-N 374.780 2.955 50 50 FFGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1C(=O)O 863782 AQMZIIQRVKBNJR-GIJQJNRQSA-N 354.391 2.504 50 50 FFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@@H]2I)[N@@]31 1857524894 DTKNYSHMNMVGAO-RIDFIHTQSA-N 357.035 2.740 50 50 FFGA Cc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1Br)C(=O)N2 5647779 OLDWSCWHLRQNCM-UHFFFAOYSA-N 358.195 2.844 50 50 FFGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1 2566904 PTRMNMXFKURLSG-KEBDBYFISA-N 374.238 2.638 50 50 FFGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O1 1227841 URLQJTBYPRPIAV-INIZCTEOSA-N 358.394 2.826 50 50 FFGA O=C(NNC(=O)c1cc(O)cc(O)c1)Nc1cccc(Cl)c1Cl 13322562 RQYUOHUBNRTWRG-UHFFFAOYSA-N 356.165 2.871 50 50 FFGA Cc1cc(C)cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1 239038681 DRFLLNFZSRTEEU-JNWWKETESA-N 364.239 2.813 50 50 FFGA Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 1427792 BVHZPHAAMAGLSH-MRXNPFEDSA-N 374.356 2.665 50 50 FFGA Cc1ccc(N2C(=O)[C@@H]3SC(N)=C(C#N)[C@H](c4ccco4)[C@@H]3C2=O)cc1 135631899 GHPDSTAHLAOERL-OWCLPIDISA-N 365.414 2.671 50 50 FFGA COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1C 1192986 MKVUJAZAVIZOAW-YBFXNURJSA-N 354.435 2.824 50 50 FFGA NC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2544388 RXIBZZJKXJGCRR-GIJQJNRQSA-N 362.183 2.671 50 50 FFGA COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)ccc1O 6720104 KSCIEIHGIPQDBQ-SRZZPIQSSA-N 362.389 2.653 50 50 FFGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1Br 2530408 FJUYUHBRZJTIRT-VCHYOVAHSA-N 360.211 2.846 50 50 FFGA CCc1ccc(OCC(=O)NNC(=S)Nc2ccc(OC)cc2)cc1 2571216 XYJPSQBSDYOROO-UHFFFAOYSA-N 359.451 2.654 50 50 FFGA Cn1/c(=N\CC(=O)N/N=C/c2ccc(Cl)cc2)sc2ccccc21 102300709 GECMLUAXKVGYSV-DTTLINJISA-N 358.854 2.944 50 50 FFGA COc1ccc(Br)c([C@@H]2C(C#N)=C(N)Oc3[nH]c(C)nc32)c1 5408929 WQGFSODMPIYBLC-GFCCVEGCSA-N 361.199 2.707 50 50 FFGA COc1ccc([C@@H]2[C@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@@H]3C2(C#N)C#N)cc1 4957393 BKHVMBVGCPDUON-VAMGGRTRSA-N 370.412 2.822 50 50 FFGA N#Cc1ccc(NNC(=O)c2ccc(-n3cnnc3)cc2)c(C(F)(F)F)c1 799753642 LGSITOJIKYJTRC-UHFFFAOYSA-N 372.310 2.915 50 50 FFGA COc1cc(/C=N/NC(=O)c2cnccn2)ccc1OCc1ccccc1 1295635 UVBCPJSQIZIFHA-FSJBWODESA-N 362.389 2.828 50 50 FFGA COc1cc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc(OC)c1OC 1502205 ZWRKURBKOMWWJB-SSDVNMTOSA-N 367.405 2.887 50 50 FFGA C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NNc2ccc(F)c(C#N)c2)CC1=O 2325819755 OZWDDSHEQHHJCU-BBRMVZONSA-N 366.396 2.750 50 50 FFGA COc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)O 13389041 FBNCDTKKJCEHTM-GHXNOFRVSA-N 367.317 2.847 50 50 FFGA Cc1nc(N2CCOCC2)sc1C(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1875390455 CPNXPBSVGVVGGE-QBBJAHKUSA-N 374.510 2.830 50 50 FFGA O=C(NNC(=S)NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 5061014 PXZYNVITSDHTRK-UHFFFAOYSA-N 350.532 2.966 50 50 FFGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(Cl)cc1 4947014 HMYMQHZDDVFBBF-INIZCTEOSA-N 361.854 2.843 50 50 FFGA O=C(N/N=C\c1cc(Br)ccc1O)c1n[nH]c2c1CCCC2 22782329 UJGFXGRNERDLJE-IUXPMGMMSA-N 363.215 2.521 50 50 FFGA C=CCc1ccccc1OCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229173 FPVLRYHZWFEGSK-LPYMAVHISA-N 361.401 2.786 50 50 FFGA O=C(NNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1cccs1 5757018 DBYKXIZNTZGGTH-UHFFFAOYSA-N 361.442 2.560 50 50 FFGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 5484128 SJJNACNDEUJNBZ-UHFFFAOYSA-N 365.780 2.816 50 50 FFGA O=C(NNC(=O)c1ccc2ccccc2n1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 130440687 LJZOJYZAQFTCBS-LSTHTHJFSA-N 372.428 2.907 50 50 FFGA O=C(NNC(=O)[C@@H]1CC(c2cccs2)=NO1)Nc1ccc(Cl)cc1 5769816 KWILAUWFLKINFV-LBPRGKRZSA-N 364.814 2.747 50 50 FFGA N#Cc1ccc(NNC(=O)c2ccc3nc(O)[nH]c3c2)c(C(F)(F)F)c1 799747091 XFVWMHUXZIBSMI-UHFFFAOYSA-N 361.283 2.916 50 50 FFGA O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)cc1 4210264 XOINTBLSWMCVPG-ZVBGSRNCSA-N 353.275 2.933 50 50 FFGA CCOc1ccc(NC(=O)NNC(=O)[C@H](C)Oc2ccccc2OC)cc1 1118297 DAQMRTOCRSRRTP-ZDUSSCGKSA-N 373.409 2.714 50 50 FFGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@H]3c1cccc(O)c1 4976884 MABZZNFRNCKGLM-QGZVFWFLSA-N 362.341 2.731 50 50 FFGA Cc1nnsc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5792602 WLYXCUYWMWAXHI-LZYBPNLTSA-N 357.351 2.779 50 50 FFGA COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)CC(C)C)cc1 2859659 NKYXKBVDLXJZSX-UHFFFAOYSA-N 369.421 2.755 50 50 FFGA Cc1cccc(OCC(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c1 4989914 ZGQQIQLMZXHHPX-QGMBQPNBSA-N 363.757 2.791 50 50 FFGA N#CC1=C(N)S[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]1c1ccco1 13137944 OCQCPHDQYKDGCN-ILXRZTDVSA-N 369.377 2.501 50 50 FFGA N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl 1305953 ZTIMUVCMNJSWRS-VIFPVBQESA-N 356.234 2.551 50 50 FFGA N#CC1=C(SCC(=O)NCc2ccccc2)NC(=O)C[C@@H]1c1ccco1 9015427 JWKYTBZRYFGYIS-AWEZNQCLSA-N 367.430 2.668 50 50 FFGA Cc1cc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)ccc1Cl 36226563 USVPFOKIXXDUQI-QGMBQPNBSA-N 363.757 2.791 50 50 FFGA COc1ccccc1C(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 5559112 UOSKSGPSHKKOMC-UHFFFAOYSA-N 374.194 2.544 50 50 FFGA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1ccccc1O 5612595 LXOBIJJRRSEGFG-UHFFFAOYSA-N 374.194 2.549 50 50 FFGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccccc1O 5442607 SDXUIKQGIBQDPO-UHFFFAOYSA-N 374.194 2.549 50 50 FFGA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c(C)c1 239090980 HNVOSKZUPCGDGB-ORIIPUBOSA-N 364.239 2.813 50 50 FFGA O=C(NNC(=O)[C@@H](O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 2154802 BXNIRMABLWYLCD-ZDUSSCGKSA-N 354.193 2.880 50 50 FFGA CCOC(C)(OCC)C(=O)NNC(=O)Nc1cccc(SCC)c1 225852756 DAWLOADCWHGSNF-UHFFFAOYSA-N 355.460 2.741 50 50 FFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(C)c1OC 1227953 OJBXHBMITPVELT-INIZCTEOSA-N 358.394 2.657 50 50 FFGA Cc1ccccc1NC(=O)NNC(=O)COc1cccc2c1OC(C)(C)C2 2385475 OEUPKLWTEBMVLV-UHFFFAOYSA-N 369.421 2.940 50 50 FFGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1 4292604 VPGJZVYACGOHCA-UDWIEESQSA-N 357.797 2.994 50 50 FFGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(O)cc2)[nH]n1 57532483 FBEXKTGDEJUGTQ-UDWIEESQSA-N 350.378 2.945 50 50 FFGA CCOc1ccc([C@@H]2[C@H]3CN(CC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19816577 YSWLRXSYQZAMDH-VQTJNVASSA-N 373.460 2.831 50 50 FFGA CC(C)[Si](OC/C=C/B1OC(=O)CN(C)CC(=O)O1)(C(C)C)C(C)C 169794871 ZTSAWQSAJFNMMO-CMDGGOBGSA-N 369.343 2.794 50 50 FFGA Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(Br)cc1)C(=O)N2C 17730007 SPGYHAUQERWXLX-CYVLTUHYSA-N 372.222 2.868 50 50 FFGA