smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1O 301129 MUEVNDYLPUWCBS-DEDYPNTBSA-N 304.349 3.238 50 50 DGGA O=C(N/N=C/c1cccs1)c1ccc(Br)cc1 431476 DYXAMECYSAAPGA-RIYZIHGNSA-N 309.188 3.275 50 50 DGGA O=C(Cl)CNC(=O)OCC1c2ccccc2-c2ccccc21 2559972 HFWFBOCOXPEKBV-UHFFFAOYSA-N 315.756 3.291 50 50 DGGA in-vitro COc1ccc([C@@H]2C[C@H]2C(=O)NC(C#N)=C(Cl)Cl)cc1 1857799046 LGQPCEQSNVFPEY-WDEREUQCSA-N 311.168 3.085 50 50 DGGA COc1ccc([C@H]2C[C@@H]2C(=O)NC(C#N)=C(Cl)Cl)cc1 1857799044 LGQPCEQSNVFPEY-MNOVXSKESA-N 311.168 3.085 50 50 DGGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1O 58788 VAZJVBLBYMOKTK-CAOOACKPSA-N 309.152 3.463 50 50 DGGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)cc1 434593 QLOHOPKHXITTHY-QINSGFPZSA-N 321.380 3.307 50 50 DGGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1C[C@@H]1c1ccccc1 4949303 ACZSIIISWBUGAE-DTLUWHCESA-N 303.365 3.422 50 50 DGGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccco2)n[nH]1 17146215 FNLBLUWOJBQXFJ-RQZCQDPDSA-N 314.732 3.087 50 50 DGGA C/C(=N\NC(=O)Cc1cccc2ccccc12)c1cccnc1 5381590 IJPFCKAQFOTULF-KGENOOAVSA-N 303.365 3.318 50 50 DGGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 2250348 HPFBLDVLKFCLND-MRXNPFEDSA-N 324.380 3.146 50 50 DGGA CCN(CC)C(=O)c1sc(N=C=S)c(C(=O)OC)c1C 19737287 WZCFQBZCBUCGBJ-UHFFFAOYSA-N 312.416 3.059 50 50 DGGA COc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 4578190 QWAKBPPGUAGKLN-WLWPOCPESA-N 308.381 3.339 50 50 DGGA CCOc1ccccc1C(=O)N/N=C/c1cccc2cccnc12 435236 ODTXBCYWFKJSAO-FYJGNVAPSA-N 319.364 3.397 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2)[C@@H]2CCCC=C12 19594734 DOKRJWGZSOSAQE-WBVHZDCISA-N 318.355 3.419 50 50 DGGA COc1ccccc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1 1446776 XJOBAQOZAGRSCM-RFRKOGIWSA-N 306.365 3.480 50 50 DGGA O=C(N/N=C/c1ccccc1F)c1ccc2ccccc2c1O 6237931 NVSCDYXRMHNQOM-RGVLZGJSSA-N 308.312 3.448 50 50 DGGA NNC(=O)CCN1c2ccccc2Sc2ccc(Cl)cc21 71766982 DSZPTIOXPLFHGD-UHFFFAOYSA-N 319.817 3.323 50 50 DGGA Cc1cccc(NC(=O)CCC(=O)NN=C2CCCCC2)c1 5548204 WACCCUANFZQYQP-UHFFFAOYSA-N 301.390 3.150 50 50 DGGA CC(C)CCn1nc(CNC(=O)[C@H](C)Cl)c2ccccc21 1875380449 PDNUOBDDCHKHGL-LBPRGKRZSA-N 307.825 3.326 50 50 DGGA CCCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 241005 OMQUCSOKBPQOOW-UHFFFAOYSA-N 316.788 3.367 50 50 DGGA aggregator CCC(CC)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 278420 VJQJDUZQRWXLEL-AWEZNQCLSA-N 310.353 3.399 50 50 DGGA C[C@H](Cl)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 1875363857 BSPPXYLRHRALEQ-LBPRGKRZSA-N 306.793 3.360 50 50 DGGA Cc1cc(C(=O)N/N=C/c2ccccc2O)c2ccccc2n1 254239 NSAOBWUYHCUDBA-YBFXNURJSA-N 305.337 3.013 50 50 DGGA NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12 4948259 SHBVMORRRJEXOD-UHFFFAOYSA-N 321.424 3.306 50 50 DGGA Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3ccccc3F)ccc21 12393014 JVNWNXCBLKEJCZ-LCYFTJDESA-N 307.328 3.080 50 50 DGGA O=C(CCl)N(Cc1cc(F)ccc1F)C1CC(F)(F)C1 1875382336 YIVIBKAUBUNNPR-UHFFFAOYSA-N 309.690 3.330 50 50 DGGA O=C([C@@H](F)Cl)N1CCc2nc(-c3ccccc3)sc2C1 2325898487 HBUIXKHHWCRJIC-GFCCVEGCSA-N 310.781 3.229 50 50 DGGA Cc1ccsc1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 43259 UULRSOHMSVVJLN-LICLKQGHSA-N 310.382 3.211 50 50 DGGA CC1=C(C#N)/C(=C/Nc2ccc(OC(F)(F)F)cc2)CC(=O)N1 1405794 OCZMXXMHWMIKPI-CSKARUKUSA-N 323.274 3.198 50 50 DGGA COC(=O)c1c(NC(=O)CCCl)sc2c1CCCCC2 4099625 UAOSOHAFCDHZNU-UHFFFAOYSA-N 315.822 3.371 50 50 DGGA COC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CCCCC2 35411989 IUSHBRNARLSWKO-QMMMGPOBSA-N 315.822 3.369 50 50 DGGA COc1ccc(-c2nc(Cc3noc(CCl)n3)c(C)o2)cc1 263615107 AOXKHWRVBIHNMV-UHFFFAOYSA-N 319.748 3.371 50 50 DGGA CC(C)(C)[Si](C)(C)Oc1c(Cl)cc(B(O)O)cc1Cl 169904530 WNDFXSADTRWDGK-UHFFFAOYSA-N 321.085 3.057 50 50 DGGA in-vitro CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1O 259491 WSZNAWFXXVRDPW-VCHYOVAHSA-N 318.760 3.208 50 50 DGGA C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N=C=S)cc2)C1 19737305 QICQGBDHPDLART-RYUDHWBXSA-N 310.444 3.088 50 50 DGGA OB(O)c1cccc(-c2cccc3c2sc2ccccc23)c1 169744807 NLOHUARANQHPPJ-UHFFFAOYSA-N 304.179 3.401 50 50 DGGA CC(C)(C)OC(=O)NNC1=CC(=O)C[C@H](c2ccccc2)C1 447869 CVBOQRBJUWVITA-CYBMUJFWSA-N 302.374 3.046 50 50 DGGA CC1(C)Cc2ccccc2/C(=C(\C#N)C(=O)Nc2ccccc2)N1 2271076 IHAMKSSHLSNUIB-ZCXUNETKSA-N 317.392 3.484 50 50 DGGA C[C@H]1CN(c2cc(F)cc(NC(=O)[C@@H](C)Cl)c2)C[C@@H](C)O1 1875377778 NHQYLTSUBSHZJN-OUAUKWLOSA-N 314.788 3.005 50 50 DGGA O=C(CCl)N(CCC1=CCCCC1)Cc1ccc(CO)o1 1875382040 OPCZGTHHODCOFO-UHFFFAOYSA-N 311.809 3.230 50 50 DGGA O=C(N/N=C/c1cccc2ccccc12)c1ccc(O)cc1O 482629 PJONNWFNYFTAGX-YBFXNURJSA-N 306.321 3.015 50 50 DGGA C[C@@]1(CBr)[C@H]2CC[C@@]1(CBr)C(=O)C2 100767858 VWJROIUSFOLGSX-FXBDTBDDSA-N 310.029 3.152 50 50 DGGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 311153 POAYSIIMMFFBIC-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA O=C(CCl)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 1327498717 JRFAWBAHQNYHKY-UHFFFAOYSA-N 309.690 3.231 50 50 DGGA O=C(Cc1cccs1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 56103 KSOUBGUDZIPZAS-OVCLIPMQSA-N 323.761 3.003 50 50 DGGA CC1=C(C#N)[C@H](c2ccncc2F)C2=C(CC(C)(C)CC2=O)N1 25694778 HOTZTVVNBOTFHC-INIZCTEOSA-N 311.360 3.348 50 50 DGGA O=S(=O)(Cc1cccc(C(F)(F)F)c1)C(Cl)Cl 100064325 KDGCYXWTYONMAN-UHFFFAOYSA-N 307.120 3.381 50 50 DGGA COc1ccccc1C(=O)/C(C#N)=C\c1ccc(OCC#N)cc1 171845960 MJBVBSDHISLJCP-QINSGFPZSA-N 318.332 3.387 50 50 DGGA Cc1ccc(S(=O)(=O)Nc2ccc(SC#N)cc2)cc1 311659 MMJLNEXFUYKJGI-UHFFFAOYSA-N 304.396 3.369 50 50 DGGA CCc1c(-c2csc(/C(C#N)=C(/C)N)n2)[nH]c(C)c1C(C)=O 281114491 GUZOFFQGAYNAKA-WQLSENKSSA-N 314.414 3.425 50 50 DGGA ClC[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]6[C@H]3[C@H]3[C@H]7[C@@H]6[C@@H]6[C@H]8[C@H]9[C@H]([C@H]1[C@@H]4[C@@H]9[C@H]56)[C@@H]([C@H]87)[C@@H]32 257359080 YHQOAURTASZOQU-GTEOYHCXSA-N 308.852 3.069 50 50 DGGA CC(C)(C)[Si](C)(C)OC[C@H]1C(=O)[C@H]2C=C[C@H]1C1(C2)OCCO1 257356831 KPCBFCTXUHCWCL-BFHYXJOUSA-N 324.493 3.143 50 50 DGGA CCC[C@@H](C)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 83373 OPZZXYMLNBDWDU-YGRLFVJLSA-N 310.353 3.399 50 50 DGGA NNC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 25692814 ADPYJWXQPQLFRS-UHFFFAOYSA-N 317.392 3.151 50 50 DGGA C/C(CC(C)C)=N\NC(=O)C(O)(c1ccccc1)c1ccccc1 4729937 GQYCYOINLHTDLM-LTGZKZEYSA-N 324.424 3.461 50 50 DGGA C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)C(=O)C2 100749620 VWJROIUSFOLGSX-UJNFCWOMSA-N 310.029 3.152 50 50 DGGA biogenic CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccncc2)cc1 27919 SNWIFWYTUAYOQV-RCCKNPSSSA-N 324.428 3.472 50 50 DGGA CC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2521654 QXKGXRYWOPASSQ-VCHYOVAHSA-N 316.744 3.029 50 50 DGGA COc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 3945068 SRNGRTQASASQIG-JLHYYAGUSA-N 303.321 3.408 50 50 DGGA Cc1ccc(N2C(=O)C[C@]3(C[C@@H](Cl)N=N3)C2=O)cc1Cl 4498643 DBQMSXSRTPPKHJ-GXFFZTMASA-N 312.156 3.071 50 50 DGGA Cc1[nH]nc2c1C1(CCC(c3ccccc3)CC1)C(C#N)=C(N)O2 6492114 BLMKWNXQYFCJCA-UHFFFAOYSA-N 320.396 3.400 50 50 DGGA CC1(C)OB(CCCCI)OC1(C)C 203705319 JSNVPKWJELUHJD-UHFFFAOYSA-N 309.984 3.294 50 50 DGGA in-vitro O=C(N/N=C/c1cccs1)c1ccc([N+](=O)[O-])cc1Cl 438329 BGXIIDDKYPESKW-VGOFMYFVSA-N 309.734 3.074 50 50 DGGA O=C(CCl)N(Cc1ccnn1C1CCC1)[C@@H]1CC=CCC1 1875382171 SYKXONLUVJZVRB-CYBMUJFWSA-N 307.825 3.284 50 50 DGGA O=C(N/N=C/c1ccc(F)cc1)c1cc2ccccc2cc1O 59264 MPHIRUNTBLFODQ-RGVLZGJSSA-N 308.312 3.448 50 50 DGGA C[C@@H](Br)C(=O)NCc1ccc(C(F)(F)F)cc1 235058899 QWKAGADFMUIGLH-SSDOTTSWSA-N 310.113 3.105 50 50 DGGA O=C(N/N=C/c1ccc(Br)s1)c1cccs1 232509 SCCFKSASSBYYBC-WUXMJOGZSA-N 315.217 3.336 50 50 DGGA CC1=C(C#N)[C@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 19762466 BOOBTXHQTVGBII-SFHVURJKSA-N 307.397 3.244 50 50 DGGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccc(Cl)cc1 9240081 BFVPHLKAQKXWQA-LICLKQGHSA-N 304.781 3.341 50 50 DGGA CC(C)(C)[Si](C)(C)OCCN1CCC(C2OCCO2)CC1 225676182 IHCITSKOHHOYFS-UHFFFAOYSA-N 315.530 3.093 50 50 DGGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 358533 MVMGKDHOCVLZCN-CXUHLZMHSA-N 309.753 3.279 50 50 DGGA C[C@H](NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1)c1ccccc1 5093530 KVUXKYSTSCKLSR-HNEYUBDGSA-N 320.348 3.169 50 50 DGGA C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1 4956203 APECCGBSIHKODY-HWQJWEFDSA-N 302.761 3.258 50 50 DGGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C\c1ccccc1 32625304 XKNXAHRJFJGDLE-UNOMPAQXSA-N 304.353 3.149 50 50 DGGA N#Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1 153759661 JNZWHBIISYCQQF-UHFFFAOYSA-N 305.259 3.334 50 50 DGGA O=C(Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1)[C@@H](F)Cl 2325897705 FIWXJKICKKKPKV-SNVBAGLBSA-N 323.629 3.285 50 50 DGGA Cc1nn(-c2ccccc2)c2ncc(NC(=O)[C@@H](F)Cl)cc12 2325898465 DPVQDXWMNFUUBI-CYBMUJFWSA-N 318.739 3.202 50 50 DGGA O=C(N[C@@H](NCc1ccccc1)C(Cl)Cl)c1ccccc1 4831764 KVSBJGSYFAQXKV-OAHLLOKOSA-N 323.223 3.336 50 50 DGGA C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1C[C@H]2CC[C@H]1C2 252452764 ANRXFLOWYGRAPO-HPHCMBEUSA-N 315.373 3.445 50 50 DGGA CC1(C)OB(c2cc(CBr)ccc2F)OC1(C)C 169936465 UEBRMJPFPXLIMK-UHFFFAOYSA-N 314.991 3.020 50 50 DGGA in-vitro C[C@@H]([C@H]1CCCO1)N(Cc1cccc2cc[nH]c12)C(=O)CCl 1875382456 BTZYJZSUOVFHPS-SWLSCSKDSA-N 320.820 3.303 50 50 DGGA O=C(CCl)N(Cc1nc(C2CCCCCC2)no1)C1CC1 1875378127 WCEKBLJHXPLKMO-UHFFFAOYSA-N 311.813 3.237 50 50 DGGA COC(=O)N/N=C\c1ccccc1OC/C=C/c1ccccc1 15933883 NHGORSJLZCSVBD-VAVYRGOBSA-N 310.353 3.469 50 50 DGGA COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1CCCCO1 195996132 RPLZTINCNFPQBI-STQMWFEESA-N 318.486 3.093 50 50 DGGA Brc1ccc(CCI)cc1 74938026 HPDBQVCZDFTUOI-UHFFFAOYSA-N 310.960 3.427 50 50 DGGA in-vitro O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccco2)n[nH]1 4927996 VRIHSSIYPIUWBA-RQZCQDPDSA-N 314.732 3.087 50 50 DGGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)o1 5118764 RHFYTPBFUBYXOL-CQSZACIVSA-N 318.336 3.196 50 50 DGGA O=C(Cl)c1cc(I)ccc1Cl 5756809 CRBYUOHFEZMJTE-UHFFFAOYSA-N 300.910 3.324 50 50 DGGA CC(C)c1cc(C(=O)N/N=C/c2cccc3ccccc23)n[nH]1 9331766 OPKSURXASVGONS-YBFXNURJSA-N 306.369 3.450 50 50 DGGA C[C@H](Cl)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1875366137 SMBIUQCAWOAYNF-YFKPBYRVSA-N 301.642 3.227 50 50 DGGA CCCCOc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 2902521 KNYQAFIFRZPSDD-CPNJWEJPSA-N 312.369 3.335 50 50 DGGA C/C=C1/C[N@@+]2(CC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 252441152 IPBVRFAPNWZMGD-QPDDULAPSA-O 321.444 3.392 50 50 DGGA biogenic O=C(Cc1cccs1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 1798793 LLFWKVZHOZSLQR-KJWHQMAJSA-N 315.354 3.014 50 50 DGGA COC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 1687601 XPRVBYSCJOFAFY-DTWKUNHWSA-N 321.996 3.059 50 50 DGGA CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccnc1 205406 WDOIQXLSUHZAMD-SFHVURJKSA-N 320.396 3.146 50 50 DGGA CCOC(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CC1 295926 YCJCBFKQOPHFFM-UHFFFAOYSA-N 314.321 3.096 50 50 DGGA COc1ccccc1OCC(=O)N/N=C/C(C)=C\c1ccccc1 3127337 RWOPOBBPPDWRTB-VFBGBMQPSA-N 324.380 3.280 50 50 DGGA Cc1ccc(CSCC(=O)N/N=C/c2ccccc2O)cc1 444170 DLRVAOYSCNXKOR-VCHYOVAHSA-N 314.410 3.084 50 50 DGGA COc1ccc(/C(C)=N/NC(=O)c2cccc(C)c2)c(OC)c1 256990 RJMVJTOEOQHITF-CPNJWEJPSA-N 312.369 3.166 50 50 DGGA COc1cc(C(=O)N/N=C(\C)c2ccc(Cl)s2)ccc1O 4996916 REXIXFHBROIHRD-LZYBPNLTSA-N 324.789 3.270 50 50 DGGA CCOC(=O)NN(C(=O)OCC)c1ccc(N)c2ccccc12 71767254 XJYYBCBNNKKOHD-UHFFFAOYSA-N 317.345 3.046 50 50 DGGA COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CC[C@H](C)C2 74941394 POEFOJDJXQSYKX-JGVFFNPUSA-N 315.822 3.225 50 50 DGGA Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)o1 437696 IMTCSXKPKAJJPE-DTQASYIRSA-N 306.749 3.159 50 50 DGGA NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 139510715 RDVYIDYGKLWXFL-UHFFFAOYSA-N 320.396 3.329 50 50 DGGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccncc1 5379683 ZOQZTQBHMRQSJB-VXLYETTFSA-N 310.744 3.047 50 50 DGGA Cc1ccc(NC(=S)NNC(=O)c2c[nH]c3ccccc23)cc1 6573779 XLRKQTUHIKJTBZ-UHFFFAOYSA-N 324.409 3.108 50 50 DGGA O=C(CCc1ccccc1)NNC(=O)Nc1ccc(Cl)cc1 272531 XYSMBPGOMKKWHZ-UHFFFAOYSA-N 317.776 3.126 50 50 DGGA Cc1ccsc1C(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 2101906 PWETUGWJFXFPTF-VRXKGJCKSA-N 315.354 3.394 50 50 DGGA CN(C)C(C/C=N/OCc1ccc(Cl)cc1)=C(C#N)C#N 5524774 SBAVAVSUIGIVGH-UFWORHAWSA-N 302.765 3.095 50 50 DGGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1O 259636 ZZSJOLDICPVVAV-YBFXNURJSA-N 306.321 3.015 50 50 DGGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 241268 VMJIVDKCGDCKKD-MRXNPFEDSA-N 309.394 3.209 50 50 DGGA COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1 31783752 YADZNPUZZUEAOK-BOPFTXTBSA-N 313.378 3.342 50 50 DGGA COCCC[C@H]1CCCCN1C(=O)Oc1ccc([N+](=O)[O-])cc1 205597177 XVBRVSAGMWRVCK-CYBMUJFWSA-N 322.361 3.375 50 50 DGGA in-vitro O=C(CCl)N(Cc1ccnn1C1CCC1)[C@H]1CC=CCC1 1875382172 SYKXONLUVJZVRB-ZDUSSCGKSA-N 307.825 3.284 50 50 DGGA COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2O)c1 5720949 UOWDBLUHLIBGCU-UDWIEESQSA-N 320.348 3.318 50 50 DGGA CCCCCCCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 2865034 AQYQNXZFQHFXAQ-JKSUJKDBSA-N 302.418 3.298 50 50 DGGA CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 4714416 WDLSKMIKIJGWNW-MRXNPFEDSA-N 324.384 3.115 50 50 DGGA CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)CCl)C1 2080383910 BWVQFRRTKAQWDD-CQSZACIVSA-N 317.820 3.241 50 50 DGGA C[C@@H](Cl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169818855 NYKXRPPIAOSBTK-KRWDZBQOSA-N 322.911 3.323 50 50 DGGA Cc1cccc(/C(C#N)=C\c2ccc3c(c2)n(C)c(=O)n3C)c1 4840538 ZDSLGXOPSKDGRB-YBEGLDIGSA-N 303.365 3.250 50 50 DGGA CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1 520110 OHYJLYCWDGWWRW-VBKFSLOCSA-N 323.396 3.349 50 50 DGGA CCc1nc2cc(CNC(=O)[C@@H](C)Cl)ccc2n1C1CC1 1875376123 MSYDCEARHGPPRL-SNVBAGLBSA-N 305.809 3.177 50 50 DGGA CCCCCCOc1ccc(B(O)O)c(OCCCCCC)c1 250663344 QZRQDWVWHWZAME-UHFFFAOYSA-N 322.254 3.285 50 50 DGGA COc1ccccc1Oc1ccc(CNC(=O)CCl)cc1 1116434017 IOJRSCQMJIMNIM-UHFFFAOYSA-N 305.761 3.343 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1 75903 TXMRXVTUYZRQML-OAHLLOKOSA-N 316.316 3.011 50 50 DGGA Cc1ccccc1OCC(=O)N/N=C/c1cn(C)c2ccccc12 436963 IAFJIONNSJRNOW-RGVLZGJSSA-N 321.380 3.016 50 50 DGGA COC(=O)c1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 2889516 XDUSXROUDRWPJF-GXDHUFHOSA-N 308.293 3.446 50 50 DGGA CC(C)(C)OC(=O)N/N=C(/COc1ccccc1)NC1CCC1 66323344 UODAROCIFDHUFI-UHFFFAOYSA-N 319.405 3.046 50 50 DGGA CC(=O)C1=C(C(F)(F)F)OC(N)=C(C#N)[C@@H]1c1ccccc1C 2765438 DNUVHWOIBFODIN-ZDUSSCGKSA-N 322.286 3.208 50 50 DGGA Cc1cccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)c1 584759 VLYNSVQFPAWHMU-VCHYOVAHSA-N 302.761 3.178 50 50 DGGA COc1ccc([C@@H]2CCN(C(=O)[C@H](F)Cl)[C@H]2C)cc1F 2325898028 PWMRRPHAPNLGTF-PLMOITTCSA-N 303.736 3.073 50 50 DGGA Cc1ccsc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 242073 RWEKGHITSFBQQL-OQPBUACISA-N 300.383 3.117 50 50 DGGA C[C@H](Cl)C(=O)Nc1ccc2nc(-n3ccnc3)sc2c1 1875364423 MLTFUKLISUKELD-QMMMGPOBSA-N 306.778 3.048 50 50 DGGA COc1ccccc1P(c1ccccc1)c1ccccc1OC 100083794 MVKZAEARORRRPG-UHFFFAOYSA-N 322.344 3.462 50 50 DGGA O=C(O)c1ccc(C(Br)Br)c(F)c1 201507508 VNNBKUDCKLANIV-UHFFFAOYSA-N 311.932 3.312 50 50 DGGA O=C(CCl)NCc1csc(-c2cc3ccccc3o2)n1 1875367791 NKDRFLCKOJLCDQ-UHFFFAOYSA-N 306.774 3.411 50 50 DGGA O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 290793 OJAMPDAOOKZKKW-UHFFFAOYSA-N 309.152 3.068 50 50 DGGA Cc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl 299613 BXEWGRVQCABDED-UHFFFAOYSA-N 323.179 3.377 50 50 DGGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 578660 FIICRXPXZUNCTJ-CXUHLZMHSA-N 309.753 3.279 50 50 DGGA N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1cccc([N+](=O)[O-])c1 5028070 GBMKTOFIRJRFHB-ZSOIEALJSA-N 324.292 3.122 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 292778 GDWMZWPGVLXWLW-PSLIRLAXSA-N 314.772 3.401 50 50 DGGA CC1=C(C#N)CCC(=O)N1Cc1ccc(Br)cc1 169179 NJXOAPBLRLZCQE-UHFFFAOYSA-N 305.175 3.369 50 50 DGGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OC)c1 262578 ICAHVSPBXKPRNW-GXDHUFHOSA-N 308.337 3.249 50 50 DGGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccc2ccccc12 8299777 QNRWJWSUZDLDKQ-UDWIEESQSA-N 320.396 3.263 50 50 DGGA O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1 60517 DIUGHTUTATUZLB-FYJGNVAPSA-N 303.365 3.402 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1[C@H]1CC=CCC1 83339 PZKPNPNOOPEEFP-NHYWBVRUSA-N 320.348 3.319 50 50 DGGA CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 9089096 SUAKWCHQNYJWGV-SNVBAGLBSA-N 323.215 3.151 50 50 DGGA O=C(N/N=C/c1cccc(Br)c1)C1CCCCC1 2379729 ZBAJZJHGUYTCIU-MHWRWJLKSA-N 309.207 3.480 50 50 DGGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 196637 ZGOPNVQXYVVFLX-CQSZACIVSA-N 300.745 3.155 50 50 DGGA CC1=C(C#N)C(c2ccncc2Br)C(C#N)=C(C)N1 25695307 JZFFILJYIFFAAV-UHFFFAOYSA-N 315.174 3.126 50 50 DGGA CN(C)c1ccc(/C=N\NC(=O)c2ccc3ccccc3n2)cc1 32633782 NEQJMAMMHVFYCV-MOSHPQCFSA-N 318.380 3.065 50 50 DGGA C/C(=N/NC(=O)CSCc1ccccc1)c1ccc(C)o1 220963634 LJVMBEWLFQXJAE-LGMDPLHJSA-N 302.399 3.362 50 50 DGGA C/C=C1/C[N@@+]2(CC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 257360808 IPBVRFAPNWZMGD-UFKZKGRLSA-O 321.444 3.392 50 50 DGGA biogenic CC1(C)CC(=O)C2=C(C1)SC(N)=C(C#N)[C@@H]2c1ccco1 20654126 IYJSTHUEGPTVKB-CYBMUJFWSA-N 300.383 3.447 50 50 DGGA CSc1cc(C)nc(SC)c1NC(=O)CBr 144541070 IHJXMANODQCKRS-UHFFFAOYSA-N 321.265 3.167 50 50 DGGA CC(C)(C)[Si](C)(C)O[C@@]1(CNCc2cccnc2)CCOC1 1775991751 MGUVWYDNKLETHQ-QGZVFWFLSA-N 322.525 3.352 50 50 DGGA O=C(N[C@H](N=C=S)C(Cl)(Cl)Cl)c1ccccc1 4530595 OIIOTWBSMBDBQM-VIFPVBQESA-N 309.605 3.216 50 50 DGGA COc1ccc([C@@H]2C[C@@H]2C(=O)NC(C#N)=C(Cl)Cl)cc1 1857799045 LGQPCEQSNVFPEY-QWRGUYRKSA-N 311.168 3.085 50 50 DGGA CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccncc1 100290 YLJRIGGCHSVPJU-FYJGNVAPSA-N 319.364 3.397 50 50 DGGA Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(O)cc1 450104 XUCOFOBSXOLOCH-YBEGLDIGSA-N 323.396 3.231 50 50 DGGA Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 38773 GJKJZOUBSZMRDZ-MRXNPFEDSA-N 308.381 3.446 50 50 DGGA COc1ccc(N[C@H](C)C(=O)NN=C(C)c2ccccc2)cc1 245238240 HEAZJCMOIWSLNC-CQSZACIVSA-N 311.385 3.036 50 50 DGGA COc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] 4810640 YEHPOOLGRDHPEA-ZSOIEALJSA-N 324.292 3.366 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccco1 8558620 YCYMEVMBIOIRHO-MHWRWJLKSA-N 314.370 3.194 50 50 DGGA CCOC(=O)[C@@H](Br)c1ccc(Br)cc1 25726657 PPRAWWBOUOBAON-VIFPVBQESA-N 321.996 3.448 50 50 DGGA in-vitro O=S(=O)(CCCCl)Nc1ccc(Cl)c(Cl)c1 12336654 PMCKAMPTSFMYAG-UHFFFAOYSA-N 302.610 3.364 50 50 DGGA OCCc1cn(-c2cccc(S(F)(F)(F)(F)F)c2)nn1 643919582 COFSQHQXWPEVTH-UHFFFAOYSA-N 315.267 3.460 50 50 DGGA O=C(Cc1ccccc1)N/N=C/c1ccc(OC(F)(F)F)cc1 732347 CUMUUNZCUWKTEI-RGVLZGJSSA-N 322.286 3.278 50 50 DGGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)s1 433112 LVSICTBQIRINRG-OVCLIPMQSA-N 323.761 3.003 50 50 DGGA C[C@@H](NS(=O)(=O)c1ccc(N=C=S)cc1)c1ccccc1 19737319 VJCITSBIDZHEPQ-GFCCVEGCSA-N 318.423 3.460 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1[C@H]1CC=CCC1 83344 PZKPNPNOOPEEFP-XHDPSFHLSA-N 320.348 3.319 50 50 DGGA CCOC(=O)COc1ccc2ccccc2c1C=C(C#N)C#N 8873652 HBMZEXGAVOKBFS-UHFFFAOYSA-N 306.321 3.212 50 50 DGGA COCc1nc(CNC(=O)[C@@H](C)Cl)c(-c2ccccc2)s1 1875377831 OWHWGUDQFJVKAS-SNVBAGLBSA-N 324.833 3.200 50 50 DGGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccco1 55926 NDDBMCLOJKONSH-OVCLIPMQSA-N 317.395 3.132 50 50 DGGA O=C(CCl)N1N=C(c2cccs2)C[C@H]1c1ccc(O)cc1 45067859 MEEWAZKPXVIEHZ-ZDUSSCGKSA-N 320.801 3.370 50 50 DGGA O=C(O)c1cc(NC(=O)[C@@H](Cl)c2ccccc2)ccc1O 74941558 AZRLVZKACVVADB-ZDUSSCGKSA-N 305.717 3.009 50 50 DGGA COC(=O)c1ccccc1NC(=O)[C@H](Cl)c1ccccc1 35133701 IPWFLSTZUNYNMP-CQSZACIVSA-N 303.745 3.392 50 50 DGGA C[C@H](Cl)C(=O)NC(C)(C)c1nc2cc(Cl)ccc2o1 1875366814 DZLMKFZQWKDRAF-ZETCQYMHSA-N 301.173 3.460 50 50 DGGA COc1ccccc1P(=O)(c1ccccc1)c1ccccc1 38149249 JXRWPAKVXWPGCD-UHFFFAOYSA-N 308.317 3.335 50 50 DGGA C[C@H](Cl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169818853 NYKXRPPIAOSBTK-QGZVFWFLSA-N 322.911 3.323 50 50 DGGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccnc2)c1 58704 PHQQGKMTFFYWSU-RGVLZGJSSA-N 311.385 3.043 50 50 DGGA COc1ccc(/C=C(\C#N)C(=O)O)cc1OCc1ccccc1 5676231 KVXWLCRMCLWZPU-OQLLNIDSSA-N 309.321 3.266 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1F 2257025 PTFPNDZCYDFUGO-OAHLLOKOSA-N 312.344 3.277 50 50 DGGA O=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccccc1 4964230 KBWDGOACWKWWFO-DYTRJAOYSA-N 301.349 3.264 50 50 DGGA COc1cc(Cc2ccc(N=C=O)c(OC)c2)ccc1N=C=O 101361517 LTYBRIUUEVKCBE-UHFFFAOYSA-N 310.309 3.229 50 50 DGGA Cc1ccc(/C=N/NC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1 5793924 GMEWCQHAOOZODK-JJYRJTHFSA-N 303.365 3.361 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c[nH]c2ccccc12 207681 PSHTWQGAPIQDBV-DYZYQPBXSA-N 319.364 3.229 50 50 DGGA CN(C)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 1942883 AAUVHFGZCIDXOE-SFQUDFHCSA-N 312.394 3.091 50 50 DGGA COc1ccccc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1 1446774 XJOBAQOZAGRSCM-IQGJIOQQSA-N 306.365 3.480 50 50 DGGA C/C(=N\NC(=O)Cc1cccn1C)c1ccc(Cl)c(Cl)c1 19849175 MMCZNQQEWPGXNV-VCHYOVAHSA-N 324.211 3.415 50 50 DGGA Cc1ccc(N2C(=O)C[C@@]3(C[C@H](Cl)N=N3)C2=O)cc1Cl 4498641 DBQMSXSRTPPKHJ-MFKMUULPSA-N 312.156 3.071 50 50 DGGA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(N=C=S)cc1 19737331 BBEKMHRPEGEBBA-ZDUSSCGKSA-N 310.444 3.374 50 50 DGGA CC1(C)OB(c2ccc(CBr)c(F)c2)OC1(C)C 169746282 OOTPRFIHAFABSN-UHFFFAOYSA-N 314.991 3.020 50 50 DGGA C[C@@H](Cl)C(=O)Nc1ccc2nc(-n3ccnc3)sc2c1 1875364420 MLTFUKLISUKELD-MRVPVSSYSA-N 306.778 3.048 50 50 DGGA O=C(CNC(=O)C(Cl)Cl)c1ccc(-c2ccccc2)cc1 101356767 WGASIHMUVRQZAY-UHFFFAOYSA-N 322.191 3.456 50 50 DGGA COC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CC[C@@H](C)C2 74941395 POEFOJDJXQSYKX-SFYZADRCSA-N 315.822 3.225 50 50 DGGA O=C(OCc1ccccc1)N1CCC[C@@H](CBr)C1 35633026 YXSCVZBVAAVNKV-ZDUSSCGKSA-N 312.207 3.430 50 50 DGGA CCCCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 3001487 XZCJLBMPZLSHHU-CPNJWEJPSA-N 312.369 3.335 50 50 DGGA C[C@H](Cl)C(=O)Nc1cccc2c1CN(c1nccs1)C2 1875378067 VCPGRMYKWSNDOW-VIFPVBQESA-N 307.806 3.229 50 50 DGGA CCCSC1=C(C#N)[C@H](c2cccc(OC)c2)CC(=O)N1 2904966 GBKGKEIYBREFMS-ZDUSSCGKSA-N 302.399 3.177 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 241576 DPXQPJGRELQYPM-VFZGTOFNSA-N 314.772 3.401 50 50 DGGA C[C@H](Cl)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 1875363791 AIOKMJKRSYFHCV-HZMBPMFUSA-N 324.211 3.305 50 50 DGGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(Cl)cc1 32606100 OGHIIPXCXDAFRC-GRSHGNNSSA-N 301.777 3.211 50 50 DGGA N#C/C(=C\c1ccccc1F)C(=O)Nc1ccccc1[N+](=O)[O-] 17032232 XVUYKHRBXBSGMS-FMIVXFBMSA-N 311.272 3.280 50 50 DGGA FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Cl)C[C@H]1[C@@H]2Cl 252430710 GNKANBMIUWGNED-FCAWWPLPSA-N 302.045 3.056 50 50 DGGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccco1 2521747 VLTNKSUPQWWUDS-FRKPEAEDSA-N 313.140 3.116 50 50 DGGA O=C(N[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1)[C@H](F)Cl 2325898746 YGVYWITURPBKBY-AGIUHOORSA-N 303.736 3.166 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 241847 QUTLGHUSKDHQCH-VFZGTOFNSA-N 314.772 3.401 50 50 DGGA O=C1Oc2ccccc2[C@@]1(CBr)c1ccccc1 71770618 BJRWEAGGGHZSKU-OAHLLOKOSA-N 303.155 3.287 50 50 DGGA CCOC(=O)CC(CC(=O)OCC)O[Si](C)(C)C(C)(C)C 196162751 PPZUZFQSSULNGN-UHFFFAOYSA-N 318.486 3.283 50 50 DGGA in-vitro CSc1cccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2)c1 4829127 XFBCEZKPDAIFBU-UHFFFAOYSA-N 318.358 3.465 50 50 DGGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccccc1 5024275 QYHWCXWIVAVDSM-OAHLLOKOSA-N 314.348 3.295 50 50 DGGA O=P(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccccn1 159141 URNAXILXPISJJH-GOSISDBHSA-N 309.305 3.087 50 50 DGGA COc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12 234538 SGIUPSNOFYYWMP-UDWIEESQSA-N 320.348 3.318 50 50 DGGA COc1c(C(=O)CBr)cc(Cl)c(C)c1[N+](=O)[O-] 2576064 MRJQMHKVHNQGJR-UHFFFAOYSA-N 322.542 3.143 50 50 DGGA N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)C(N)=S 100423164 KIVQWEADWULZRF-WAYWQWQTSA-N 305.712 3.464 50 50 DGGA aggregator C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1 5402497 GORXWDNEMOMILF-UDWIEESQSA-N 322.343 3.370 50 50 DGGA O=C(CCl)Nc1ccc(N2CCCCC2)c2ncccc12 1875377773 NCYYMJGISHCOKZ-UHFFFAOYSA-N 303.793 3.402 50 50 DGGA Cc1n[nH]c2c1[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 5013106 BLHYEELNFZODMQ-NSHDSACASA-N 321.167 3.243 50 50 DGGA N#CCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 443000 YSEDZTFNZFSJGO-CIAFOILYSA-N 316.364 3.053 50 50 DGGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)cc1 529420 WQDRVAVOOCYXAA-FPQGOQEYSA-N 320.396 3.131 50 50 DGGA O=[N+]([O-])c1ccccc1CC(Br)Br 3131071 JFRSZSOFPRJTNE-UHFFFAOYSA-N 308.957 3.253 50 50 DGGA CC(C)c1nn(C)cc1CN(Cc1ccccc1)C(=O)CCl 1875375489 CHLBDNDZLOLKGP-UHFFFAOYSA-N 319.836 3.311 50 50 DGGA CCOc1ccc(NCC(=O)N/N=C(\C)c2ccccc2)cc1 524610 CXLYMIINKJVLMX-XSFVSMFZSA-N 311.385 3.038 50 50 DGGA CC1(C)O[C@@H]2C(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2O1 238789981 BQTFEDRKSDLHNA-WCFLWFBJSA-N 300.471 3.117 50 50 DGGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 2576243 HLWVGHYCBAVTMN-RGVLZGJSSA-N 322.343 3.288 50 50 DGGA C[C@@H](Cl)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 1875377716 LSMMITQOHFMTMZ-YMTOWFKASA-N 324.211 3.165 50 50 DGGA CCCCCCCCCCCCNC(=S)NNC(C)=O 100815510 GQOBRPLOOMGERJ-UHFFFAOYSA-N 301.500 3.423 50 50 DGGA COCCOC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1 6180198 BILALDLYKXVJCE-POHAHGRESA-N 300.141 3.090 50 50 DGGA FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Cl)C[C@H]1[C@H]2Cl 252430711 GNKANBMIUWGNED-KLVWXMOXSA-N 302.045 3.056 50 50 DGGA Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)CCl)cc1 1875375231 VXEVFOSNZWLLAG-UHFFFAOYSA-N 317.698 3.283 50 50 DGGA CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)C(C#N)=C(N)O1 207906 CPCWYFMYCIQPTI-CYBMUJFWSA-N 318.398 3.173 50 50 DGGA CCOC(=O)/C(C#N)=C1/C(=O)N2c3c1cccc3[C@H](C)CC2(C)C 545539 RZGHHWYVYBFYLW-BFWGRDPESA-N 324.380 3.159 50 50 DGGA Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 32562734 HHYQSCGLSKGIGX-GFCCVEGCSA-N 321.167 3.243 50 50 DGGA CCN(CC)CCP(=O)(c1ccccc1)c1ccccc1 8565156 DRWZABOPWAFOBK-UHFFFAOYSA-N 301.370 3.342 50 50 DGGA COc1ccc([C@@H]2CCN(C(=O)[C@@H](F)Cl)[C@@H]2C)cc1F 2325898029 PWMRRPHAPNLGTF-ZDSQKVDBSA-N 303.736 3.073 50 50 DGGA CN(C)c1ccc(/C=N/NC(=O)Cc2cccs2)c(Cl)c1 43761359 IGYSYYJAPZSJCI-LICLKQGHSA-N 321.833 3.160 50 50 DGGA C[C@H](Br)C(=O)NCc1ccccc1C(F)(F)F 235437639 NEELVCBZGMVYLV-ZETCQYMHSA-N 310.113 3.105 50 50 DGGA O=C(Cc1cccs1)N/N=C/c1cccc(Br)c1 520503 SQHBHSHQSAFREF-OQLLNIDSSA-N 323.215 3.203 50 50 DGGA CSC1=C(C#N)[C@H](c2ccc(Br)cc2)CC(=O)N1 198441 CXZYXORXRBRQSK-JTQLQIEISA-N 323.215 3.151 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1 12343192 DFFFVRKDDPICFD-CPNJWEJPSA-N 304.353 3.231 50 50 DGGA CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 4751965 KGQNVMSKRSCMRM-LUAWRHEFSA-N 312.281 3.325 50 50 DGGA Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)CCl 1319785994 RSHGZJXFGJSHBH-NSHDSACASA-N 318.248 3.403 50 50 DGGA CC1(C)OB(c2cccc(F)c2CBr)OC1(C)C 169955992 CWIYMJFSXNPNHT-UHFFFAOYSA-N 314.991 3.020 50 50 DGGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 2063816 KZOGTIHBOUKSIN-QGZVFWFLSA-N 322.364 3.066 50 50 DGGA CCOC(=O)[C@@H](CC)P(=O)(c1ccccc1)c1ccccc1 34740 ASJXHAZWHQZURX-QGZVFWFLSA-N 316.337 3.342 50 50 DGGA Cc1ccc2occ(/C=N/NC(=O)c3ccccc3C)c(=O)c2c1 15934277 ZGRMIECOICHCSY-KEBDBYFISA-N 320.348 3.174 50 50 DGGA Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(Cl)cc1 447458 IVAQZARNFAWIEO-VXLYETTFSA-N 314.776 3.111 50 50 DGGA CCCOc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 2367234 DAPHACXGTRCJNO-UHFFFAOYSA-N 321.380 3.294 50 50 DGGA COC(=O)c1cc(Br)cc(CBr)c1 91297298 CUDWOTQCLYYWOC-UHFFFAOYSA-N 307.969 3.131 50 50 DGGA in-vitro CCOC(=O)/C=C\[C@@H](C)[C@@H](O)CO[Si](C)(C)C(C)(C)C 1501069199 DKCWQQGPALFYRB-BWFAQCLASA-N 302.487 3.125 50 50 DGGA COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H](C)Cl)CC3)c2c1 1875364542 NTFDRNJNEVXUSR-NSHDSACASA-N 318.804 3.420 50 50 DGGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 211944 HZSQCVIQVSEACA-QGZVFWFLSA-N 309.344 3.110 50 50 DGGA Cc1cc(C)c(C)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1C 484791 NKSABLUZRGQUOI-MRXNPFEDSA-N 308.385 3.170 50 50 DGGA CC[C@H](NC(=O)[C@H](F)Cl)c1nc(C(F)(F)F)cs1 2325898505 HWITYGXXDGAGFE-NJGYIYPDSA-N 304.696 3.264 50 50 DGGA COc1cc(OC)c(NC(=O)[C@@H](C)Br)cc1Cl 34926257 JWCTYFYKSHTYGX-ZCFIWIBFSA-N 322.586 3.079 50 50 DGGA CC(C)(C)OC(=O)CC[C@H](Cl)B1OC(C)(C)C(C)(C)O1 1857786262 HJSJFQPXXBJVTI-JTQLQIEISA-N 304.623 3.347 50 50 DGGA C[C@H]1CN(c2cc(F)cc(NC(=O)[C@H](C)Cl)c2)C[C@@H](C)O1 1875377777 NHQYLTSUBSHZJN-AXFHLTTASA-N 314.788 3.005 50 50 DGGA O=C(CCl)N1CCCC[C@@H]1c1nc(-c2ccccn2)cs1 1875370015 WXMVTIYOGGVXPC-CYBMUJFWSA-N 321.833 3.498 50 50 DGGA CN(C)c1ccc(/C=C(\C#N)S(=O)(=O)c2cccs2)cc1 96495 OYYBQNFWCLVIFH-GXDHUFHOSA-N 318.423 3.152 50 50 DGGA Cc1ccc(C)c(NC(=O)C(=O)NN=C2CCCCCCC2)c1 5016871 NCWHVXPNFCWINI-UHFFFAOYSA-N 315.417 3.458 50 50 DGGA CC[C@@H](Br)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 61489480 VROIWCVOJBKUTA-MRVPVSSYSA-N 301.140 3.015 50 50 DGGA O=[N+]([O-])c1cccc(CBr)c1CBr 59803740 IQGHMTSQJHRRFH-UHFFFAOYSA-N 308.957 3.385 50 50 DGGA O=C(N/N=C/c1cccc(Cl)c1Cl)[C@H](O)c1ccccc1 437088 QVVYCAGRKCDSGE-UHPUNMKFSA-N 323.179 3.177 50 50 DGGA Cc1occc1C(=O)N/N=C/c1ccc(Br)cc1 249423 XMCNWWHOODGJDL-OVCLIPMQSA-N 307.147 3.114 50 50 DGGA COc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1C 283430 GOAXVUNPVHDMPB-QGZVFWFLSA-N 324.380 3.127 50 50 DGGA COc1ccc(COCCCCI)cc1 140832362 MWVGTGOQXZXYEK-UHFFFAOYSA-N 320.170 3.427 50 50 DGGA Fc1ccc(I)c(CBr)c1 95836572 TXIPYRUYDCNASH-UHFFFAOYSA-N 314.923 3.325 50 50 DGGA in-vitro CC(C)(C)OC(=O)N1CC[C@@H](CBr)C(F)(F)C1 238099966 AAMRYYQQMYOAST-QMMMGPOBSA-N 314.170 3.274 50 50 DGGA COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1 59618 XILUTEJQRJMZHP-UDWIEESQSA-N 320.348 3.318 50 50 DGGA C[C@@H](NC(=O)CCl)c1cccc(OCc2ccccn2)c1 1336909836 GTBFSEMRTLVFLF-GFCCVEGCSA-N 304.777 3.077 50 50 DGGA C[C@@H]1CC(C(=O)NCCSSCCC(=O)O)C[C@@H](C)C1 1875388960 WPGNSSAJAFHQNL-QWRGUYRKSA-N 319.492 3.031 50 50 DGGA O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1Cl 4989587 KODRVOVCHSSWKW-VCBXAZPMSA-N 307.737 3.320 50 50 DGGA N#C/C(=C\c1cccc2c1OCO2)C(=O)c1ccc(C#N)cc1 12956584 URYPTYUSHORNMH-OVCLIPMQSA-N 302.289 3.077 50 50 DGGA CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1 202159158 NBYBUNPRAZKBJH-NSHDSACASA-N 302.491 3.132 50 50 DGGA O=C(CCC(=O)Nc1cccc(Cl)c1)NN=C1CCCCC1 5756983 XEKGOUOKHFPDGY-UHFFFAOYSA-N 321.808 3.495 50 50 DGGA ClCc1nnc(-c2ccc(I)cc2)o1 4073092 KEWFAPAJVDCMNP-UHFFFAOYSA-N 320.517 3.080 50 50 DGGA O=C(COc1cccc2ccccc12)N/N=C/c1ccccc1O 261335 VUXGUHJZBJKLFL-UDWIEESQSA-N 320.348 3.075 50 50 DGGA Cc1n[nH]c2c1[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2 5013107 BLHYEELNFZODMQ-LLVKDONJSA-N 321.167 3.243 50 50 DGGA CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@@H](O)c1ccccc1 12343066 RXKNNFMGBFFSNS-OVJCVQBUSA-N 320.392 3.482 50 50 DGGA O=C(CCl)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1875378302 ZFIQJXQFKMVKBN-SECBINFHSA-N 304.070 3.438 50 50 DGGA COc1ccc(/C=N/NC(=O)CCCNc2ccccc2)cc1 2996100 JCUAIEQSJVXNBW-XSFVSMFZSA-N 311.385 3.038 50 50 DGGA COC(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 4871389 XVPFZIBTENOCFA-CHHVJCJISA-N 323.692 3.198 50 50 DGGA O=C(NNC(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1 15934096 IZVIDBOMQKQMMV-UHFFFAOYSA-N 323.327 3.445 50 50 DGGA O=C(N/N=C/c1ccc(O)cc1)c1cc2ccccc2cc1O 294429 XEWQKFHHWHRTAX-YBFXNURJSA-N 306.321 3.015 50 50 DGGA NC(=O)c1c(NC(=O)CCCCl)sc2c1CCCCC2 4099698 VDEHJGCZEAIDDJ-UHFFFAOYSA-N 314.838 3.073 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1 292780 GDWMZWPGVLXWLW-VFZGTOFNSA-N 314.772 3.401 50 50 DGGA COC(=O)c1ccc(Br)c(CBr)c1 95635092 GRJDNFSKEWOMIM-UHFFFAOYSA-N 307.969 3.131 50 50 DGGA in-vitro O=C(NCc1cccc(Br)c1Cl)[C@@H](F)Cl 1875362083 QHHDYGBBSCMZHA-MRVPVSSYSA-N 314.969 3.253 50 50 DGGA CC(=O)C1=C(C(F)(F)F)OC(N)=C(C#N)[C@H]1c1ccccc1C 2765439 DNUVHWOIBFODIN-CYBMUJFWSA-N 322.286 3.208 50 50 DGGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1 299139 MMBXVMMURRIGLR-UHFFFAOYSA-N 314.360 3.198 50 50 DGGA C[C@H](NC(=O)c1ccccc1NC(=O)CCl)c1ccccc1 3335113 RSUKRTMPULBUSI-LBPRGKRZSA-N 316.788 3.355 50 50 DGGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 7893574 VROVSOMPFIAMSJ-LICLKQGHSA-N 317.732 3.402 50 50 DGGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1Cl 129985 PSGIPEZIXGCEKB-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA COC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 1687600 XPRVBYSCJOFAFY-BDAKNGLRSA-N 321.996 3.059 50 50 DGGA CC(C)(C)OC(=O)NNC1=CC(=O)C[C@@H](c2ccccc2)C1 447868 CVBOQRBJUWVITA-ZDUSSCGKSA-N 302.374 3.046 50 50 DGGA C[C@@]12CC[C@@H]([C@H](Br)C1=O)[C@]2(C)CBr 501965 DCDNKSJBRIJYEC-MFDQJXRNSA-N 310.029 3.150 50 50 DGGA O=C(OCCCCI)c1ccccc1 1724825 VVPUIKNICYCXJZ-UHFFFAOYSA-N 304.127 3.059 50 50 DGGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 362217 ZOSGTDKMFDZKRB-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA CC(=O)Nc1ccc(/C=N/NC(=O)CC2CCCCC2)cc1 1754385 OFLMBTVBZWBGTQ-LDADJPATSA-N 301.390 3.066 50 50 DGGA COC(=O)c1ccc(Br)cc1CBr 2599125 SGFACFBLUAWICV-UHFFFAOYSA-N 307.969 3.131 50 50 DGGA in-vitro CCOC(=O)/C(C#N)=C/c1[nH]c(C(=O)OC(C)(C)C)c(C)c1C 2124186 JAZFJERTDLUDPL-XYOKQWHBSA-N 318.373 3.057 50 50 DGGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1Cl 196747 NMQCHOZUYKHYHV-CYBMUJFWSA-N 318.735 3.294 50 50 DGGA NNC(=O)Cc1sc(-c2ccccc2)nc1-c1ccccc1 4091681 SCXOGBIFTJUYNX-UHFFFAOYSA-N 309.394 3.010 50 50 DGGA COc1ccccc1-n1c(CCl)nc2ccccc2c1=O 1441900 ABOBEYWUKDBJRT-UHFFFAOYSA-N 300.745 3.133 50 50 DGGA CC[C@@H](Br)C(=O)Nc1ccc(OC)c(Cl)c1 32919716 XAAOAWXSNWBFFP-MRVPVSSYSA-N 306.587 3.461 50 50 DGGA CO[C@@H](C(=O)N/N=C/c1c(C)cc(C)cc1C)c1ccccc1 437578 FZLWFCPDUVVNRD-BAOGCXAUSA-N 310.397 3.450 50 50 DGGA CCCc1n[nH]c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 4936711 KDGWIODSEOYQEI-CYBMUJFWSA-N 314.776 3.234 50 50 DGGA O=C(Cc1ccc(Cl)c(Cl)c1)N/N=C/c1cccnc1 15924992 NPPALXOJDPDUTL-GIJQJNRQSA-N 308.168 3.081 50 50 DGGA CC(=C/c1ccccc1)/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 433501 CJGRKARUBGHXHK-XDSYSLTGSA-N 309.325 3.414 50 50 DGGA N#CSc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 11666749 CWDAMGHTMAXLRI-OAHLLOKOSA-N 312.350 3.038 50 50 DGGA O=C(NCc1cccc(Br)c1Cl)[C@H](F)Cl 1875362084 QHHDYGBBSCMZHA-QMMMGPOBSA-N 314.969 3.253 50 50 DGGA Cc1nc2ccc(Cl)cn2c1C(=O)NN=C1CCCCC1 275677 ZHTWZXWPBPGQLZ-UHFFFAOYSA-N 304.781 3.346 50 50 DGGA COc1cc(C(=O)NN=C2CCCCCC2)cc(OC)c1OC 433109 SSWBKYHKXCWBPD-UHFFFAOYSA-N 320.389 3.152 50 50 DGGA CCc1cc(C(=O)NNC(=S)Nc2ccccc2C)cs1 8685701 HKJBHSCPZIIZOD-UHFFFAOYSA-N 319.455 3.250 50 50 DGGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)cc1 4312610 PPLJODSRITZZAD-RGVLZGJSSA-N 322.343 3.288 50 50 DGGA CCCc1[nH]nc2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 18105932 XEIOWGYJKISLKG-CYBMUJFWSA-N 314.776 3.234 50 50 DGGA O=C(N/N=C\c1cccnc1)c1cccc2c3c([nH]c12)CCCC3 32565796 ICKSXVSQQQMEPB-MTJSOVHGSA-N 318.380 3.206 50 50 DGGA C/C(=N\NC(=O)COc1ccccc1Cl)c1cccs1 4964359 HRKWRMJCZZPIPQ-MHWRWJLKSA-N 308.790 3.321 50 50 DGGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1 5033958 NRHDXIITNCIEHU-LICLKQGHSA-N 310.382 3.211 50 50 DGGA COc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 4578193 QWAKBPPGUAGKLN-XYLSPAALSA-N 308.381 3.339 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1F 241833 YLGODCCHHSQNEA-VXJOIVPMSA-N 316.307 3.026 50 50 DGGA N#CC1=C(C(=O)N2CCC[C@@H](c3cc(O)cc(F)c3)C2)CCC1 1875299263 FTUKSLQQXNSIRA-CYBMUJFWSA-N 314.360 3.241 50 50 DGGA CCOC(=O)C(C#N)=C1C(=O)N2c3c(cccc31)C(C)=CC2(C)C 2049439549 XDCMBFABIGSNDQ-UHFFFAOYSA-N 322.364 3.069 50 50 DGGA COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 445546 BGQFIYRJAMSSDT-GXDHUFHOSA-N 324.311 3.158 50 50 DGGA CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 15219791 OTLWLAJRNWUNLV-KAMYIIQDSA-N 307.353 3.004 50 50 DGGA O=C(CCl)NCCc1c(C(F)(F)F)[nH]c2ccccc12 1118920983 ZMQWHSFHMVOKDD-UHFFFAOYSA-N 304.699 3.084 50 50 DGGA CCCc1[nH]nc2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 18105935 XEIOWGYJKISLKG-ZDUSSCGKSA-N 314.776 3.234 50 50 DGGA N#Cc1ccc(CSCC(=O)NN=C2CCCCC2)cc1 233730 GWJPFDZJNNUIEP-UHFFFAOYSA-N 301.415 3.228 50 50 DGGA C/C=C1/C[N@@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 253390591 ZEMNDQUOMWGCAZ-OAJYSTOESA-O 307.417 3.002 50 50 DGGA biogenic O=C1c2ccccc2C(=O)N1c1ccccc1CBr 32257245 NRIHZIKJFGRZGX-UHFFFAOYSA-N 316.154 3.382 50 50 DGGA CCOC(=O)CP(=O)(c1ccc(C)cc1)c1ccc(C)cc1 446765 NNSZRHPAZZBFQO-UHFFFAOYSA-N 316.337 3.180 50 50 DGGA O=C(CBr)c1ncc(C(F)(F)F)cc1Cl 114584553 FCJKIKJRFCJROU-UHFFFAOYSA-N 302.477 3.331 50 50 DGGA C[C@@H](Cl)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 74941427 DWTOGMVSSJGOND-SSDOTTSWSA-N 311.750 3.284 50 50 DGGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1 59556 PTWUKNVXXAKRAZ-CPNJWEJPSA-N 311.385 3.002 50 50 DGGA COc1cc(Br)c(CBr)cc1OC 16697062 PAJNRELOTRXFAQ-UHFFFAOYSA-N 309.985 3.361 50 50 DGGA COc1ccc(OC)c(/C=N\NC(=O)c2ccc(Cl)cc2)c1 30817680 WJPWBGIOKZGMEA-ZDLGFXPLSA-N 318.760 3.121 50 50 DGGA O=C(CBr)c1ccc(F)c(OC(F)(F)F)c1F 604221683 USYMJTXWGLOYMK-UHFFFAOYSA-N 319.023 3.441 50 50 DGGA Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 445599 DRJDEYRYHZFEPE-NTEUORMPSA-N 307.309 3.449 50 50 DGGA O=C(O)c1ccc(P(c2ccccc2)c2ccccc2)cc1 43462979 GXMHDTPYKRTARV-UHFFFAOYSA-N 306.301 3.143 50 50 DGGA in-vitro O=C(N/N=C1\CCSC1)C(c1ccccc1)c1ccccc1 4507144 QLZLPOUXKDMGSZ-KNTRCKAVSA-N 310.422 3.428 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccsc1 198622 RGLBXTCKGRPLSF-ZDUSSCGKSA-N 322.345 3.073 50 50 DGGA COc1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 233615 GZLGARNJFMMYIX-KEBDBYFISA-N 322.286 3.478 50 50 DGGA CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)[C@@H](F)Cl 2325898470 FGWXLLGBDHALRK-GFCCVEGCSA-N 319.207 3.302 50 50 DGGA CC(C)(C)OC(=O)NNC(=O)Nc1ccccc1C(F)(F)F 2850787 JKDMDAAFQJQAND-UHFFFAOYSA-N 319.283 3.267 50 50 DGGA O=C(N/N=C/c1ccc(O)cc1)c1ccc2ccccc2c1O 5777202 BJDCRSXYMZLPTJ-YBFXNURJSA-N 306.321 3.015 50 50 DGGA C[C@@H]1[C@@H]2OC(=O)[C@]13c1ccccc1CC[C@@H]3C[C@@H]2Br 71785963 KSRMDUDROJJMGP-LZTXUIERSA-N 321.214 3.216 50 50 DGGA CCn1ncc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)c1C 17032520 IXAGARSRZAPZMG-ODLFYWEKSA-N 312.417 3.273 50 50 DGGA Cc1cc2c(c(=O)o1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 196817 SRUNLNLTHYECSH-MRXNPFEDSA-N 322.364 3.290 50 50 DGGA BrCc1nc2ccccc2nc1CBr 1670799 LHKFFORGJVELPC-UHFFFAOYSA-N 315.996 3.420 50 50 DGGA CCCN(CCC)c1ccc(/C=N/NC(=O)c2cccnc2)cc1 296604 MMZVVRORJGIACS-KGENOOAVSA-N 324.428 3.472 50 50 DGGA CC(C)N(Cc1ccc(N2CCC[C@@H]2C)nc1)C(=O)[C@H](C)Cl 1875377390 DHLUUDGVGBGHSN-KBPBESRZSA-N 323.868 3.435 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c[nH]c2ccccc12 207682 PSHTWQGAPIQDBV-QGHHPUGFSA-N 319.364 3.229 50 50 DGGA COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(C(=O)O)cc1 4811203 JHYSGISOKNPWCK-ZSOIEALJSA-N 324.292 3.366 50 50 DGGA O=C(CN1CCCCCCC1)N/N=C/c1ccccc1Cl 4990449 CRCKJYVWOHFCEL-LDADJPATSA-N 307.825 3.056 50 50 DGGA CCOc1ccc2nc(NC(=O)CBr)sc2c1 59642161 VSXBDCXWRIVQID-UHFFFAOYSA-N 315.192 3.028 50 50 DGGA COc1ccc(Cl)cc1C(=O)NNc1ccccc1[N+](=O)[O-] 5670770 OXRAYCSUWXUUMD-UHFFFAOYSA-N 321.720 3.014 50 50 DGGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)O 163266 JJZJZYFOCZWOEH-VMPITWQZSA-N 318.672 3.500 50 50 DGGA CC(C)c1ccc(/C=C/C(=O)NNC(=O)c2ccccc2)cc1 299055 IWIXQZAHHRGCRN-JLHYYAGUSA-N 308.381 3.284 50 50 DGGA C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccncc1 4611218 IMDFMGRIWMCSJC-KGENOOAVSA-N 303.365 3.318 50 50 DGGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 254848336 IXJQORVZLFBIAB-DEKNZBOESA-N 311.429 3.354 50 50 DGGA N#CC1=C(C2CC2)C[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C1N 4946624 KZBCDLFVAUCPJL-CQSZACIVSA-N 306.325 3.049 50 50 DGGA CC(=O)NN/C=N/c1ccc(Cl)cc1Cc1ccccc1 71770389 USQXIJFYMKSPJC-UHFFFAOYSA-N 301.777 3.231 50 50 DGGA C/C(CC(=O)Nc1ccccc1)=N\NC(=O)c1cccc(C)c1 5795905 QNDFTEIXOXBENK-XSFVSMFZSA-N 309.369 3.130 50 50 DGGA CCCc1n[nH]c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 4936709 KDGWIODSEOYQEI-ZDUSSCGKSA-N 314.776 3.234 50 50 DGGA C[C@]1(C(=O)NN=C2C3CC4CC(C3)CC2C4)CC1(Cl)Cl 17053054 FLBIUNDSPKDPTN-XFOGCTRUSA-N 315.244 3.499 50 50 DGGA Cn1cccc1CC(=O)N/N=C/c1ccc(Cl)cc1Cl 2532511 SSOPQQUNTJJPNY-RQZCQDPDSA-N 310.184 3.025 50 50 DGGA C[C@H]([C@H]1CCCO1)N(Cc1cccc2cc[nH]c12)C(=O)CCl 1875382455 BTZYJZSUOVFHPS-IUODEOHRSA-N 320.820 3.303 50 50 DGGA Cn1cccc1/C=N/NC(=O)c1ccc(OC2CCCC2)cc1 372814 ZOGCMVYBSABJNZ-CPNJWEJPSA-N 311.385 3.110 50 50 DGGA CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccoc2)cc1 2763757 LBFOUISKLDZYLA-VCHYOVAHSA-N 300.358 3.106 50 50 DGGA O=C(Nc1ccc2c(c1)OCCO2)[C@H](Cl)c1ccccc1 37009074 PUTJOVGBUWSVOE-OAHLLOKOSA-N 303.745 3.376 50 50 DGGA C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]2CC[C@H]1C2 252453015 WJZYVSLLOSZEAC-VLONTDKTSA-N 315.373 3.066 50 50 DGGA COc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1 434766 UBFQNXKUFVAOGC-UDWIEESQSA-N 305.337 3.007 50 50 DGGA O=C(N/N=C/c1cccc2ccccc12)c1[nH]nc2c1CCCC2 13571913 KGPNGADYTKOPRG-UDWIEESQSA-N 318.380 3.206 50 50 DGGA Cc1cccc(Cn2cc(/C=C(\C#N)C(N)=O)c3ccccc32)c1 17053278 FMOLOUQWPLWKEA-MHWRWJLKSA-N 315.376 3.390 50 50 DGGA CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1 4714415 WDLSKMIKIJGWNW-INIZCTEOSA-N 324.384 3.115 50 50 DGGA COc1cc2ccccc2cc1C(=O)N/N=C\c1ccccc1O 22017030 UDTGIRNLZHWXFJ-NDENLUEZSA-N 320.348 3.318 50 50 DGGA O=C(OCc1ccccc1)N1CCC[C@H](CBr)C1 35633024 YXSCVZBVAAVNKV-CYBMUJFWSA-N 312.207 3.430 50 50 DGGA CC(C)(C)c1cc(C(=O)N/N=C\c2ccc(Cl)cc2)[nH]n1 32617951 LARPKMACZZTYGZ-MFOYZWKCSA-N 304.781 3.125 50 50 DGGA CCOc1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)ccc1O 318107 GMNUXAKOMXABMP-KEBDBYFISA-N 323.352 3.036 50 50 DGGA O=C(N/N=C/c1ccc(Br)cc1)c1cccs1 228114 YCIYMWAGOSGHRA-RIYZIHGNSA-N 309.188 3.275 50 50 DGGA O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2Cl)n[nH]1 18148648 GMRSSWRYSQBPNZ-RQZCQDPDSA-N 314.732 3.087 50 50 DGGA CC1CCC2(CC1)C(C#N)=C1SCCCN1C(=O)[C@@H]2C#N 447877 BSXVRXXRUIFCFX-BGMSHATGSA-N 301.415 3.037 50 50 DGGA O=C(COc1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1 2995567 TYEAWXHCMHEDBB-UHFFFAOYSA-N 307.689 3.233 50 50 DGGA CSc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 250757 KOPPYZSOBNDAQW-MHWRWJLKSA-N 315.354 3.081 50 50 DGGA COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC 297308 IBMCFUFJRGFPKP-VCHYOVAHSA-N 318.760 3.121 50 50 DGGA Cc1cc(SC#N)ccc1NS(=O)(=O)c1ccccc1 609948 IFGHYFPZEOCQJW-UHFFFAOYSA-N 304.396 3.369 50 50 DGGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1O 273687 PQVKSGRASBSLFV-CAOOACKPSA-N 309.152 3.463 50 50 DGGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccccc2Cl)n[nH]1 8838347 WOXXEPVWBCDEBC-YBFXNURJSA-N 324.771 3.494 50 50 DGGA FC(F)(F)c1ccc(I)c(CCl)n1 263624440 QMANHNDUZBWGGY-UHFFFAOYSA-N 321.467 3.444 50 50 DGGA C[C@@]12C[C@H]3C[C@@](CC(=O)O)(C1)C[C@@]([C@H](Cl)C(=O)O)(C3)C2 100811999 KNKXDTNNKGZUSK-RDXHHOOHSA-N 300.782 3.130 50 50 DGGA Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21 4592612 BSMIPPJGDXQOCG-JTQLQIEISA-N 314.414 3.295 50 50 DGGA CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1 23549827 MPDLXUZURYECTE-YBFXNURJSA-N 312.369 3.159 50 50 DGGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 196816 SRUNLNLTHYECSH-INIZCTEOSA-N 322.364 3.290 50 50 DGGA CC[C@H](C)[C@H](CO)NC(=O)CCCC[C@@H]1CCSS1 606440356 FFSFYCIXUSGUIK-XQQFMLRXSA-N 305.509 3.224 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccs1 77710 XQLJKVUBWFWJHH-CYBMUJFWSA-N 322.345 3.073 50 50 DGGA biogenic,in-vitro CCOC(=O)c1[nH]c(C(Cl)Cl)c(C(=O)OCC)c1C 2519486 HZQCNYAEPXMMNM-UHFFFAOYSA-N 308.161 3.153 50 50 DGGA Cc1cc(NC(=O)[C@H](C)Br)ccc1Br 235447095 IFWRABRCIZOJDV-ZETCQYMHSA-N 321.012 3.479 50 50 DGGA Cc1nc(NNC(=O)c2ccccc2)cc(-c2ccccc2)n1 432707 SPFCJWLLEKIQOM-UHFFFAOYSA-N 304.353 3.209 50 50 DGGA COc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 4578191 QWAKBPPGUAGKLN-POBWEVHBSA-N 308.381 3.339 50 50 DGGA Cc1cc(NNC(=O)c2ccccc2O)c2cccc(C)c2n1 441801 CHMCZQUBYNSORB-UHFFFAOYSA-N 307.353 3.314 50 50 DGGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 260325 LPQOFQBGRVLXJA-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA CONC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C 170617404 JHXQGKKXAOTPOF-XNTDXEJSSA-N 301.390 3.195 50 50 DGGA C[C@@H](Cl)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1875364546 VJPGIIACKGSTLN-GHMZBOCLSA-N 312.866 3.355 50 50 DGGA CC1=C(C#N)C(c2ccc(Br)nc2)C(C#N)=C(C)N1 25694688 PIDKRFUMQONZNF-UHFFFAOYSA-N 315.174 3.126 50 50 DGGA CSc1ccc(/C=N/NC(=O)CN2CCCCCCC2)cc1 4990421 QNGXIJHOKIEJEQ-QGOAFFKASA-N 319.474 3.125 50 50 DGGA O=C([C@H](F)Cl)N1CCN(Cc2cccc3ccccc23)CC1 1875329013 YOWXVMJFFVQMHJ-INIZCTEOSA-N 320.795 3.018 50 50 DGGA Nc1nc(CCl)nc(Nc2cc(Cl)cc(Cl)c2)n1 85389080 FCLYSQCYDPUQCP-UHFFFAOYSA-N 304.568 3.243 50 50 DGGA O/N=C\c1ccccc1P(c1ccccc1)c1ccccc1 97943395 XHIVESUSSLEMGJ-HKWRFOASSA-N 305.317 3.253 50 50 DGGA O=C(CCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1 5494804 XZOILSHAMZKYCE-UHFFFAOYSA-N 320.437 3.029 50 50 DGGA Cc1ccsc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](C)C2 242075 RWEKGHITSFBQQL-AMIZOPFISA-N 300.383 3.117 50 50 DGGA COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc2c1OCO2 4725887 GVVLTJVFIJCXJZ-WUXMJOGZSA-N 319.320 3.364 50 50 DGGA N#Cc1cccc([C@H]2CN(C(=O)CCl)Cc3ccccc32)c1 1875387031 KKJBJMPUNLISGA-QGZVFWFLSA-N 310.784 3.271 50 50 DGGA O=C(NNC(=O)c1cc2c(ccc3ccccc32)o1)c1ccco1 5777318 LRRKZAJBMAYMBR-UHFFFAOYSA-N 320.304 3.254 50 50 DGGA O=CNNc1cc(Oc2ccccc2)nc(-c2ccccc2)n1 2029030 YEQLRVSVGJCFCA-UHFFFAOYSA-N 306.325 3.009 50 50 DGGA COC(=O)c1ccc(CBr)c(CBr)c1 2559210 PZOQMRZOUBBQFO-UHFFFAOYSA-N 321.996 3.263 50 50 DGGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)c1 5059206 MQUZEFHEOKHZSR-GDNBJRDFSA-N 306.321 3.239 50 50 DGGA Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 584631 ULSXZAALYFEHNF-VCHYOVAHSA-N 302.761 3.178 50 50 DGGA Cc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1 16956952 PALMEQJMUDBRRH-UDWIEESQSA-N 318.380 3.457 50 50 DGGA CC(C)(C)OC(=O)NNc1nc(Cl)ccc1Br 261508539 UIECNVYLSHRXFT-UHFFFAOYSA-N 322.590 3.349 50 50 DGGA C[C@H](Cl)C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 1875367125 LLJNZNBNXSSAIQ-ZETCQYMHSA-N 301.173 3.254 50 50 DGGA O=C(CCl)NCc1cc(Oc2ccc(F)c(F)c2)ccn1 1875364275 MWVJPHCNXQQHOA-UHFFFAOYSA-N 312.703 3.007 50 50 DGGA C[C@H](Br)C(=O)Nc1ccc(Br)cc1 152393 FJXNJUQSLIKVOC-LURJTMIESA-N 306.985 3.171 50 50 DGGA COc1ccc(C(=O)N/N=C2/Nc3cccc4cccc2c34)cc1 246052 SUJZRBLEVQDTRX-UHFFFAOYSA-N 317.348 3.366 50 50 DGGA CCN(CC)c1ccc(/C=N/NC(=O)c2cccs2)cc1 228138 IUMACPQCCWMGQN-SFQUDFHCSA-N 301.415 3.358 50 50 DGGA CCOC(=O)C(C#N)=Cc1ccc(OCc2ccccn2)cc1 1857777801 NSNVRQJRLCMYKS-UHFFFAOYSA-N 308.337 3.131 50 50 DGGA CCCc1n[nH]c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 18116994 GLXMRYVZKKTCPP-OAHLLOKOSA-N 319.368 3.062 50 50 DGGA CC1(C)OB(c2cc(F)cc(CBr)c2)OC1(C)C 238791302 DUJDOQARZQGHDL-UHFFFAOYSA-N 314.991 3.020 50 50 DGGA C[C@@H](CC(=O)NNc1cnccn1)c1ccccc1C(F)(F)F 170644246 LJFSXHRAQPEVIF-JTQLQIEISA-N 324.306 3.132 50 50 DGGA CC/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(O)cc1 4991834 BDTXTQUDHVCGOB-VDNWDLKOSA-N 308.381 3.426 50 50 DGGA O=C(Cl)c1ccc(Cl)c(I)c1 76914545 UHANTBMVFVOTLR-UHFFFAOYSA-N 300.910 3.324 50 50 DGGA CCc1ccc(OCC(=O)N/N=C/C=C/c2ccccc2)cc1 2929370 ITMSBBQERPRPBT-KEAYEENMSA-N 308.381 3.443 50 50 DGGA Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 38772 GJKJZOUBSZMRDZ-INIZCTEOSA-N 308.381 3.446 50 50 DGGA O=C(CCCC[C@H]1CCSS1)N1CCc2nc[nH]c2C1 816650869 HBLCTHIVSLGISC-NSHDSACASA-N 311.476 3.009 50 50 DGGA COc1cccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c1OC 25539636 FALDCMVHMBKAQY-QGZVFWFLSA-N 324.380 3.195 50 50 DGGA C[C@@H]1C[C@@]2(C)C[C@@H](C(=O)O2)[C@H]1C(=O)OCCCCCCCl 825426661 YHTZQESDEKCPIF-FOCJUVANSA-N 316.825 3.307 50 50 DGGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1 93685 POTCWKXLEUUCSD-MBNTZHJCSA-N 302.761 3.258 50 50 DGGA Cc1ccccc1OCC(=O)N/N=C/c1c[nH]c2ccccc12 260068 FDKHIUNZUJZDOP-RGVLZGJSSA-N 307.353 3.005 50 50 DGGA COC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CC[C@H](C)C2 74941397 POEFOJDJXQSYKX-YUMQZZPRSA-N 315.822 3.225 50 50 DGGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 298780 SHPFUQGQBSWGOC-CAOOACKPSA-N 321.695 3.151 50 50 DGGA C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)c1ccco1 100089934 DHOMKWDFODKAKV-VCHYOVAHSA-N 319.748 3.068 50 50 DGGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 282387 RMASAYAPJKIVAB-VCHYOVAHSA-N 322.324 3.148 50 50 DGGA CCn1cc([C@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cn1 4745413 IQOHPJKANCPTQH-KRWDZBQOSA-N 316.364 3.274 50 50 DGGA O=C(CCC(=O)Nc1ccccc1)N/N=C/C=C/c1ccccc1 1960374 LPLJVVMKXBFBHN-BFTAXVNQSA-N 321.380 3.221 50 50 DGGA CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 242863 WGXXBEBMZAVWKW-WOJGMQOQSA-N 301.777 3.170 50 50 DGGA CCCc1n[nH]c2c1[C@@H](/C(C)=C/c1ccco1)C(C#N)=C(N)O2 608766 KWKAUFKSGBZZJB-PLWJUESGSA-N 310.357 3.229 50 50 DGGA C[C@@H](Cl)C(=O)NCc1cc(Oc2cccc(F)c2)ccn1 1875364909 XYQNNLQXFAMZIS-SNVBAGLBSA-N 308.740 3.257 50 50 DGGA N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@H]1c1cccnc1 63154 FAIGEWPEIQXEAW-KRWDZBQOSA-N 315.332 3.159 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(F)c1 242161 IMAUWRVOYVMXJI-AYVTZFPOSA-N 316.307 3.026 50 50 DGGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1 9110008 FJIKIOJNNPNLQR-VCHYOVAHSA-N 308.341 3.050 50 50 DGGA COc1ccc(C(=O)N/N=C(\C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 105213773 ZEQULRLHFNCTKT-WCOIEBFWSA-N 316.401 3.246 50 50 DGGA COc1ccc([C@H]2CC(=O)OC(=O)N2C(=O)OC(C)(C)C)cc1 32098814 UNDXQUCUIVJJFK-GFCCVEGCSA-N 321.329 3.040 50 50 DGGA in-vitro N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 62979 XIZYZMPWLYNELN-AWEZNQCLSA-N 300.745 3.155 50 50 DGGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(F)cccc1Cl 196750 NMQCHOZUYKHYHV-ZDUSSCGKSA-N 318.735 3.294 50 50 DGGA CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CBr 105638743 UXTHOEXKBYNHLE-ZETCQYMHSA-N 300.143 3.026 50 50 DGGA in-vitro C=CCSC1=C(C#N)[C@H](c2ccc(OCC)cc2)CC(=O)N1 8995360 FTQSOXVRBMCMEO-AWEZNQCLSA-N 314.410 3.343 50 50 DGGA Cc1ccc2nc(C)cc(C(=O)N/N=C/c3ccncc3)c2c1 15933644 MKGYWRTYMQHFSY-RGVLZGJSSA-N 304.353 3.011 50 50 DGGA NNC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1392601 LRNRTYACYBGOBZ-UHFFFAOYSA-N 311.168 3.176 50 50 DGGA Cc1cc(Cl)ccc1/C=N/NC(=O)CNc1ccccc1F 1875261153 DUSGVJCWUMEVKG-AWQFTUOYSA-N 319.767 3.350 50 50 DGGA CCCCc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1 2832250 PQMZNZYNMOEHOR-UHFFFAOYSA-N 310.397 3.412 50 50 DGGA O=C(Cc1cccs1)N/N=C\c1ccc(Br)cc1 32576901 UTMAJYWUFKFXHN-DHDCSXOGSA-N 323.215 3.203 50 50 DGGA O=C(N/N=C(\N=C\c1ccco1)c1ccccc1)c1ccccc1 5515525 HSMQVJWAYLKYIH-JEIBLIDASA-N 317.348 3.490 50 50 DGGA O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 299681 WVTDMJCXQQKXMB-UHFFFAOYSA-N 309.152 3.068 50 50 DGGA CC(/C=N/NC(=O)c1n[nH]c2c1CCCC2)=C\c1ccccc1 19799953 ANQVLWRSQDMWLU-SZFRVYISSA-N 308.385 3.108 50 50 DGGA CN(C)c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 2141466 VEBALFKTNNDFFI-WOJGMQOQSA-N 301.777 3.170 50 50 DGGA N#C/C(=C/c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 5028071 GGJYPTIEWHOVEQ-ZSOIEALJSA-N 308.293 3.430 50 50 DGGA Cc1cc2ncn(C[C@@H](NC(=O)[C@H](C)Cl)C3CC3)c2cc1C 1875364052 AWZJXYJMAJILGG-SWLSCSKDSA-N 319.836 3.175 50 50 DGGA C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1 4956206 APECCGBSIHKODY-MBNTZHJCSA-N 302.761 3.258 50 50 DGGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(Cl)cc2)o1 234430 ZWQXXXCLEORJTM-LBFZPMSMSA-N 305.765 3.192 50 50 DGGA O=C(N/N=C/CCc1ccccc1)c1ccc(Cl)cc1O 17030872 LPSKTZAAWLYMTP-VCHYOVAHSA-N 302.761 3.394 50 50 DGGA O=C1[C@@H](Br)C(c2ccccc2)=NN1c1ccccc1 4100703 OKPHJVYRPRHVPW-ZDUSSCGKSA-N 315.170 3.201 50 50 DGGA O=C(CSc1ccccn1)N/N=C/c1cccc2ccccc12 59285 JVGZJQMIINCCIN-UDWIEESQSA-N 321.405 3.477 50 50 DGGA O=C(N[C@H](N=C=S)C(Cl)Cl)c1ccc(Cl)cc1 3109725 BITLAUXPWQBQTO-VIFPVBQESA-N 309.605 3.302 50 50 DGGA N#C/C(=C/c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 5014160 PYNBWNVKDBTKJH-ZROIWOOFSA-N 308.293 3.430 50 50 DGGA Cc1cc(C)cc(NC(=S)NNC(=O)c2csc(C)c2)c1 6571458 YDZOINUQXPMQRH-UHFFFAOYSA-N 319.455 3.305 50 50 DGGA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N=C=S)cc2)C1 19737304 QICQGBDHPDLART-TXEJJXNPSA-N 310.444 3.088 50 50 DGGA O=C(Nc1ccc2c(c1)OCCO2)[C@@H](Cl)c1ccccc1 37009073 PUTJOVGBUWSVOE-HNNXBMFYSA-N 303.745 3.376 50 50 DGGA CN(C)c1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 301219 OYZZCWPTOMESCN-POBWEVHBSA-N 307.397 3.006 50 50 DGGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 356680 WLKOCYWYAWBGKY-CPNJWEJPSA-N 311.385 3.002 50 50 DGGA in-vitro C[C@@H](Cl)C(=O)NCc1ccc(COCC(F)(F)F)cc1 1875364814 UVAAYGRAOMTPDA-SECBINFHSA-N 309.715 3.009 50 50 DGGA N#C/C(=C\c1ccccc1OCC(=O)O)c1nc2ccccc2[nH]1 3906191 GCFUPKXQYKBDFB-UKTHLTGXSA-N 319.320 3.090 50 50 DGGA O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 5295354 SHYXPVCFHAJFHT-YBFXNURJSA-N 324.771 3.494 50 50 DGGA CC(C)(C)OC(=O)N/N=C(\N)Cc1c(Cl)cccc1Cl 43769304 CRHXILHGLNMGHN-UHFFFAOYSA-N 318.204 3.333 50 50 DGGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1 435461 TXKFIPPNSHFBRO-XDHOZWIPSA-N 304.353 3.149 50 50 DGGA Cc1ccc(CN(C(=O)CCl)[C@H](C)c2cnn(C)c2)c(C)c1 1875382059 PGLLMIHWKVFKMM-CQSZACIVSA-N 319.836 3.366 50 50 DGGA C[C@@H](Cl)C(=O)Nc1cccc(-n2nccc2C(F)(F)F)c1 1875380470 QAFYOEKSZRWODR-MRVPVSSYSA-N 317.698 3.457 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccsc1 291612 BIJRCIXNGOXHDC-ZDUSSCGKSA-N 300.383 3.199 50 50 DGGA COC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccc(Cl)c1 20029021 LRQQGACDGYXSEE-CYBMUJFWSA-N 320.801 3.139 50 50 DGGA COc1ccc(N(Cc2ccccc2O)C(=O)CCl)cc1 215746464 DMCDPEPRASIVJF-UHFFFAOYSA-N 305.761 3.173 50 50 DGGA Cc1ccccc1C(=O)NNC1=NC(C)(C)Cc2ccccc21 343675 PAAMPXBXUKRLKQ-UHFFFAOYSA-N 307.397 3.011 50 50 DGGA Cc1cc(NC(=O)CBr)cc(C)c1Br 40451244 YKGCEUQWENLMMD-UHFFFAOYSA-N 321.012 3.399 50 50 DGGA O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccco1 565787 IYVHENDWEQLOIE-DEDYPNTBSA-N 320.348 3.476 50 50 DGGA CC(C)c1ccc(OCC(=O)N/N=C/c2ccccc2O)cc1 4956196 XUVFOJUOWYXCAG-YBFXNURJSA-N 312.369 3.045 50 50 DGGA O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(O)cc1 19227812 BBWITAIHTBXEMO-ODLFYWEKSA-N 306.321 3.015 50 50 DGGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1 4372741 HSTODEZSGYYFIE-CPNJWEJPSA-N 310.353 3.024 50 50 DGGA COc1ccccc1NS(=O)(=O)c1ccc(N=C=S)cc1 1604552 UHVSRNDEYIWVSA-UHFFFAOYSA-N 320.395 3.230 50 50 DGGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 5296957 NGTYEBBKKXBTSX-DEDYPNTBSA-N 318.380 3.403 50 50 DGGA COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 66795 DKIRZUDRSLZVFW-INIZCTEOSA-N 324.380 3.146 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 241849 QUTLGHUSKDHQCH-RFAUZJTJSA-N 314.772 3.401 50 50 DGGA C[C@@H](Cl)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1875364550 VJPGIIACKGSTLN-MNOVXSKESA-N 312.866 3.355 50 50 DGGA CCc1cccc(NC(=O)NNC(=O)c2ccc(Cl)cc2)c1 2143212 XHZLSLFXBYZYHK-UHFFFAOYSA-N 317.776 3.369 50 50 DGGA COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=C(C#N)C#N 64864463 OEQYAOOKOSHGTE-SNVBAGLBSA-N 307.353 3.128 50 50 DGGA in-vitro O=C([C@H](F)Cl)N1CCc2nc(-c3ccccc3)sc2C1 2325898488 HBUIXKHHWCRJIC-LBPRGKRZSA-N 310.781 3.229 50 50 DGGA CCc1cc(C(=O)NNC(=S)Nc2cccc(C)c2)cs1 8685703 IIJCCQAJPPTHMR-UHFFFAOYSA-N 319.455 3.250 50 50 DGGA CN1CCC(=NNC(=O)c2sc3ccccc3c2Cl)CC1 55007582 GSRIZFYNHALERF-UHFFFAOYSA-N 321.833 3.366 50 50 DGGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 249466 LYCZJUUQAMWBGZ-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA Cc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)s1 232614 IGRFRRYFBHMSKW-OVCLIPMQSA-N 316.411 3.272 50 50 DGGA C[C@H](Br)C(=O)NCc1ccc(C(F)(F)F)cc1 235437104 QWKAGADFMUIGLH-ZETCQYMHSA-N 310.113 3.105 50 50 DGGA C[Si](C)(CCCC(=O)O)O[Si](C)(C)CCCC(=O)O 195764353 DNNFJTRYBMVMPE-UHFFFAOYSA-N 306.507 3.143 50 50 DGGA in-vitro O=P(CO)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 295592 WVYQNMPANRTHAN-UHFFFAOYSA-N 301.109 3.257 50 50 DGGA CC(C)OC(=O)c1c(NC(=O)CCl)sc2c1CCCC2 3252716 CQZKBYVOSQIULB-UHFFFAOYSA-N 315.822 3.369 50 50 DGGA CC(C)N(Cc1ccc(N2CCC[C@H]2C)nc1)C(=O)[C@H](C)Cl 1875377394 DHLUUDGVGBGHSN-KGLIPLIRSA-N 323.868 3.435 50 50 DGGA CC1CCC2(CC1)C(C#N)=C1SCCCN1C(=O)[C@H]2C#N 447878 BSXVRXXRUIFCFX-BWBHSNQOSA-N 301.415 3.037 50 50 DGGA CN(C)c1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1 244831 NEQJMAMMHVFYCV-DEDYPNTBSA-N 318.380 3.065 50 50 DGGA CC[C@H](NC(=O)[C@@H](F)Cl)c1nc(C(F)(F)F)cs1 2325898506 HWITYGXXDGAGFE-UJURSFKZSA-N 304.696 3.264 50 50 DGGA C=CCOc1ccccc1/C=N/NC(=O)c1ccccc1OCC 2901208 NGMBJEOODXPLGI-XSFVSMFZSA-N 324.380 3.414 50 50 DGGA C/C(=N\NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccnc1 15934378 BUOBYVPWLHSRIZ-VXLYETTFSA-N 322.195 3.471 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccccc1 5353766 KAVUNIRUILTGOI-LDADJPATSA-N 308.341 3.132 50 50 DGGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(C2CC2)n[nH]1 8921898 HFIDBJVCQWUOKX-REZTVBANSA-N 323.183 3.358 50 50 DGGA CC1(C)O[C@@H]2C(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 252514266 BQTFEDRKSDLHNA-RAIGVLPGSA-N 300.471 3.117 50 50 DGGA Cc1cccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)c1 56107 JDWISLQLRUDLEZ-LICLKQGHSA-N 310.382 3.211 50 50 DGGA Cc1ccc(C)c(OCC(=O)N/N=C/C=C/c2ccccc2)c1 2566845 QRQZOLWVUFPNCQ-XCHVBMRISA-N 308.381 3.498 50 50 DGGA O=C(CCCl)NCC(=O)c1ccc(-c2ccccc2)cc1 45068608 QDUQIQRGIOMTKA-UHFFFAOYSA-N 301.773 3.281 50 50 DGGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(Cl)cc1Cl 260387 FGXIQDYCVVAAOE-CAOOACKPSA-N 309.152 3.463 50 50 DGGA C/C(=N\NC(=O)c1cc(O)ccc1O)c1ccc2ccccc2c1 17055177 OQASROHYYPPBPV-UDWIEESQSA-N 320.348 3.405 50 50 DGGA NNC(=O)c1sccc1OCc1ccc(Cl)cc1Cl 1395868 PKSTWWPZBLDSBW-UHFFFAOYSA-N 317.197 3.237 50 50 DGGA Cc1cc(NC(=N)C(C#N)=C(C#N)C#N)ccc1Br 1775938110 HELMKYUBLGDOHD-UHFFFAOYSA-N 314.146 3.014 50 50 DGGA O=C(NN=C1CCCCC1)C(O)(c1ccccc1)c1ccccc1 273062 QOVIMRBMRASYHP-UHFFFAOYSA-N 322.408 3.359 50 50 DGGA CC1(C)CC(=NNC(=O)c2cc(Cl)ccc2O)CC(C)(C)N1 4442269 GVGYBVXMPLNOQS-UHFFFAOYSA-N 323.824 3.072 50 50 DGGA N#Cc1ccc(NNC(=O)c2cccc(F)c2)c(C(F)(F)F)c1 799749366 FEHRTIAYCFMWFX-UHFFFAOYSA-N 323.249 3.473 50 50 DGGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 229139 IFBZELUQMCMMGR-UDWIEESQSA-N 318.380 3.457 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(F)cc1 12343191 GARWOZBZFVZJHP-UDWIEESQSA-N 322.343 3.370 50 50 DGGA CCOc1cc(/C=N/NC(=O)c2cccc3cc[nH]c23)ccc1O 434768 VOMJRKITUPBVRQ-RGVLZGJSSA-N 323.352 3.036 50 50 DGGA N#C/C(=C\c1ccc(OCC(=O)O)cc1)c1nc2ccccc2[nH]1 3902667 VKCPAXOWUFCKTN-UKTHLTGXSA-N 319.320 3.090 50 50 DGGA CN(C(=O)NNc1c(F)cccc1F)c1c(F)cccc1F 225504253 IANSDMKVQFCJLF-UHFFFAOYSA-N 313.254 3.416 50 50 DGGA CC(C)(C)OC(=O)N1C(=O)OC(=O)C[C@H]1c1ccc(F)cc1 32098812 LCWQGJQRFTXUSX-NSHDSACASA-N 309.293 3.171 50 50 DGGA in-vitro CC1(C)O[C@@H]2C(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2O1 238789982 BQTFEDRKSDLHNA-KGYLQXTDSA-N 300.471 3.117 50 50 DGGA O=C(N/N=C/c1ccccc1)c1cccc(Br)c1 65112 WFBYSGWVDCMWBE-MHWRWJLKSA-N 303.159 3.213 50 50 DGGA OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101016150 XRRKQZBQEWXVNV-UHFFFAOYSA-N 321.380 3.363 50 50 DGGA O=C(NNC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 113178 SHOGETHEQFLESV-UHFFFAOYSA-N 309.152 3.068 50 50 DGGA biogenic Cc1ccc(CNC(=O)[C@@H](C)Cl)c(OCc2ccco2)c1 1875364537 UTSKDSHQDNNMJJ-GFCCVEGCSA-N 307.777 3.411 50 50 DGGA CN(C)c1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1 31729769 WGXXBEBMZAVWKW-WQRHYEAKSA-N 301.777 3.170 50 50 DGGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C1[C@@H]2CCCC[C@@H]12 100003545 HQRKGHHCRAFOST-HVWABSDWSA-N 321.764 3.135 50 50 DGGA N#Cc1ccc(NNC(=O)c2ccccc2)c(C(F)(F)F)c1 799752322 FLAGLJLJQZSNAP-UHFFFAOYSA-N 305.259 3.334 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)c(F)c1 242164 IMAUWRVOYVMXJI-VXJOIVPMSA-N 316.307 3.026 50 50 DGGA CC(C)(C)c1[nH]nc2c1[C@@H](Cc1ccccc1)C(C#N)=C(N)O2 548171 QFUYHUFCMFAHEG-LBPRGKRZSA-N 308.385 3.120 50 50 DGGA COc1cc(C(=O)CBr)ccc1Br 238331849 QXBJKGKRUIGIKM-UHFFFAOYSA-N 307.969 3.035 50 50 DGGA CCn1nccc1CN(C(=O)CCl)c1cccc(F)c1C 1875375563 DVNVTNNKERCQIF-UHFFFAOYSA-N 309.772 3.123 50 50 DGGA C[C@@H](NC(=O)c1ccccc1NC(=O)CCl)c1ccccc1 3335114 RSUKRTMPULBUSI-GFCCVEGCSA-N 316.788 3.355 50 50 DGGA N#C/C(=C\c1c[nH]c2ccccc12)C(=O)c1ccc(O)c(O)c1 3927328 TTZDOBVWBQXGDC-KPKJPENVSA-N 304.305 3.369 50 50 DGGA O=C1c2ccccc2C(=O)c2cc(CBr)ccc21 3844879 FCETXLHFBYOVCV-UHFFFAOYSA-N 301.139 3.357 50 50 DGGA biogenic C/C=C1/C[N@+]2(CC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 252679158 IPBVRFAPNWZMGD-SAJCEMADSA-O 321.444 3.392 50 50 DGGA biogenic CC[C@@H](C(=O)NNc1cnccn1)c1cccc(C(F)(F)F)c1 170656833 ZIHRMBTXTXQUBZ-GFCCVEGCSA-N 324.306 3.132 50 50 DGGA O=C(Cc1ccccc1)N/N=C/c1ccc(Br)cc1 60238 IZUFXRONUWTQDE-GZTJUZNOSA-N 317.186 3.142 50 50 DGGA Cc1[nH]nc2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 8845697 ZCLQCDNEWGXHBY-GFCCVEGCSA-N 321.167 3.243 50 50 DGGA N#CC1=C(C(=O)N2CCC[C@H](c3cc(O)cc(F)c3)C2)CCC1 1875299264 FTUKSLQQXNSIRA-ZDUSSCGKSA-N 314.360 3.241 50 50 DGGA O=C(CCl)NC(Cc1ccccc1F)Cc1ccccc1F 1875374792 FGISSNOXJTXEIB-UHFFFAOYSA-N 323.770 3.474 50 50 DGGA CCCCCCC[C@H](O)CCC(=O)N/N=C/c1ccccc1O 100290617 QRANIEIMUAKBLM-TWQQJCIXSA-N 320.433 3.344 50 50 DGGA C[C@@H](O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 59833273 GWIVKYPOQRMFCN-GOSISDBHSA-N 321.380 3.361 50 50 DGGA CC1CCC(=NNC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)CC1 4372923 LJOABUOPVDTAFA-PIJUOVFKSA-N 319.361 3.044 50 50 DGGA O=C(CCl)N[C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F 1875378303 ZFIQJXQFKMVKBN-VIFPVBQESA-N 304.070 3.438 50 50 DGGA CCC[C@H](C)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 83370 OPZZXYMLNBDWDU-IINYFYTJSA-N 310.353 3.399 50 50 DGGA COC(=O)c1c(-c2ccccc2)csc1NC(=O)CCl 1465612 QVZIDNLJEOTBPT-UHFFFAOYSA-N 309.774 3.379 50 50 DGGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@@H]1c1cccs1 22781780 AWITZYXKWDRGQO-ZDUSSCGKSA-N 304.758 3.325 50 50 DGGA CC[C@H](Nc1ccc(F)cc1)C(=O)N/N=C/c1cccs1 2763110 OUDYTWBJKCGGJF-FBJMNJBLSA-N 305.378 3.228 50 50 DGGA CC1(N(Cc2ccc3c(c2)OCO3)C(=O)CCl)CCCC1 1875374963 LYWMTLWNBVBGTQ-UHFFFAOYSA-N 309.793 3.315 50 50 DGGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 1875367569 OXCLJHYETARGPL-LLVKDONJSA-N 320.820 3.332 50 50 DGGA O=C(NN=Cc1ccc(Cl)cc1Cl)c1cccc(O)c1 254402241 LSWLDYSUKXBBPT-UHFFFAOYSA-N 309.152 3.463 50 50 DGGA N#C/C(=C(/O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 100607792 ZSKIIWOPYRAXAM-QINSGFPZSA-N 306.281 3.421 50 50 DGGA O=C(Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F 2555793 PDHQPPLHVFKVOQ-UHFFFAOYSA-N 319.626 3.178 50 50 DGGA Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1 1569536 MZJUACPKDPRXTP-UHFFFAOYSA-N 304.349 3.223 50 50 DGGA O=C(N/N=C/c1ccccc1F)c1ccc(Br)cc1 263159 KJBJLEBUNKLRCC-RQZCQDPDSA-N 321.149 3.352 50 50 DGGA C/C(NCCCCl)=C1/N=C(c2ccc(Cl)cc2)OC1=O 6157502 ORICQSZKDPKHBE-XFXZXTDPSA-N 313.184 3.093 50 50 DGGA CC1=C(C#N)[C@@H](c2ccncc2F)C2=C(CC(C)(C)CC2=O)N1 25694775 HOTZTVVNBOTFHC-MRXNPFEDSA-N 311.360 3.348 50 50 DGGA Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3ccc(F)cc3)ccc21 12364123 XEZWFOIJBOAYSC-ZROIWOOFSA-N 307.328 3.080 50 50 DGGA C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccccc1 13940433 ZZBPTUDLYINQJR-UDWIEESQSA-N 324.409 3.195 50 50 DGGA COC(=O)c1c(NC(=O)CCCl)sc2c1CC[C@@H](C)C2 5528147 SJTDJWLUUDDMQK-MRVPVSSYSA-N 315.822 3.227 50 50 DGGA Cc1nn(-c2ccccc2)c2c1C(=O)[C@H](Br)CC2 1422544 IWDMORQGHIJGDZ-LLVKDONJSA-N 305.175 3.073 50 50 DGGA Cc1n[nH]c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 32562695 LWGHDZDVLKSUSC-NSHDSACASA-N 321.167 3.243 50 50 DGGA CC(/C=N/NC(=O)CCc1c(C)n[nH]c1C)=C\c1ccccc1 5203857 UJKCCEQKCQVOML-SZFRVYISSA-N 310.401 3.165 50 50 DGGA C[C@H](Cl)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 1875377713 LSMMITQOHFMTMZ-LKFCYVNXSA-N 324.211 3.165 50 50 DGGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@H]1c1ccc(F)cc1 296342 IXYRGORMADVQNG-OAHLLOKOSA-N 316.719 3.403 50 50 DGGA CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C#N)=C2Cl 208850 OKWJSFNTSUEPAP-UHFFFAOYSA-N 324.789 3.303 50 50 DGGA Cc1cccc2nc(C3CCN(C(=O)[C@@H](C)Cl)CC3)oc12 1875377312 BSOYUDRJBSPQMO-LLVKDONJSA-N 306.793 3.470 50 50 DGGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(Cl)cc1 12343187 RPHRWMBQFDUPSU-RQZCQDPDSA-N 302.765 3.095 50 50 DGGA O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 50055 IPWKDRARRODXMU-UHFFFAOYSA-N 316.360 3.428 50 50 DGGA aggregator O=C(N/N=C/[C@H]1CC=CCC1)c1cc(Br)ccc1O 4989661 HVDMYXJBUPVNFP-JSJZUPIVSA-N 323.190 3.227 50 50 DGGA Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1 95719255 SBGUYEPUJPATFD-UHFFFAOYSA-N 321.223 3.346 50 50 DGGA in-vitro N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@H]2CCCC=C12 19595105 WZTQQKVOIGWANE-RDJZCZTQSA-N 318.355 3.419 50 50 DGGA Cc1ccc(C)c(Oc2ccc(CNC(=O)CCl)cn2)c1 1319674127 FPTBQJCKZWVWBK-UHFFFAOYSA-N 304.777 3.346 50 50 DGGA Cc1ccc(O[C@@H](C)C(=O)N/N=C2\CCOc3ccccc32)cc1 34403848 BVSHXAXGZHYPOE-SHUBJWRZSA-N 324.380 3.065 50 50 DGGA O=C(N/N=C/c1ccccc1F)c1cc2ccccc2cc1O 37393 TUXFHBCLORKRHK-RGVLZGJSSA-N 308.312 3.448 50 50 DGGA O=C(N/N=C/c1ccccn1)c1ccc(OC2CCCC2)cc1 1005713 RCLLUEYANFPMSM-DEDYPNTBSA-N 309.369 3.167 50 50 DGGA COC(=O)c1ccc(-n2c(C)cc(C(=O)CCl)c2C)cc1 137188 LDMHYAVGVRJERG-UHFFFAOYSA-N 305.761 3.302 50 50 DGGA O=C(Cc1ccccc1)N/N=C/c1cccc(Br)c1 298548 ZZRVAZBPUBFYPN-GZTJUZNOSA-N 317.186 3.142 50 50 DGGA CCc1cccc(CC)c1NC(=O)CI 6125522 UBLXSCCLLZTJIM-UHFFFAOYSA-N 317.170 3.185 50 50 DGGA C/C(=N\NC(N)=O)c1ccc(OCc2ccc(Cl)cc2)cc1 253470644 UHLANEFISKFGQA-YBFXNURJSA-N 317.776 3.311 50 50 DGGA CCC[C@@H](C)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 83366 OPZZXYMLNBDWDU-QMTHXVAHSA-N 310.353 3.399 50 50 DGGA C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 4946852 HLWKLVLMAMXFRF-LICLKQGHSA-N 317.732 3.402 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 292783 GDWMZWPGVLXWLW-BJOHPYRUSA-N 314.772 3.401 50 50 DGGA CC1=C(C#N)C(c2ccc(Br)o2)C(C#N)=C(C)N1 25756936 CSDVEYVEEDIGMI-UHFFFAOYSA-N 304.147 3.324 50 50 DGGA COc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1OC 249415 FDDGHRDKTUMYLW-VCHYOVAHSA-N 318.760 3.121 50 50 DGGA Cc1cccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1C 3136581 BTDLXEVWGCDCGC-SRZZPIQSSA-N 321.380 3.314 50 50 DGGA O=C(NNC(=O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1 143038 NJJOIVIWEMECDV-UHFFFAOYSA-N 324.167 3.460 50 50 DGGA O=P(CNc1ccccn1)(c1ccccc1)c1ccccc1 295149 FVNFGBJUPPSHBH-UHFFFAOYSA-N 308.321 3.465 50 50 DGGA CCOC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CCCC2 3269830 OVWGQECBFPPPKW-QMMMGPOBSA-N 315.822 3.369 50 50 DGGA C[C@@H](Cl)C(=O)N(C)Cc1nc2ccccc2n1C(F)F 1875363650 PGSBHRAAYLBDDD-MRVPVSSYSA-N 301.724 3.017 50 50 DGGA C[C@@]12CC[C@@H]([C@@H](Br)C1=O)[C@@]2(C)CBr 1095542 DCDNKSJBRIJYEC-MVHNUAHISA-N 310.029 3.150 50 50 DGGA CC(C)c1ccc(/C=N/NC(=O)c2cn3c(n2)CCCC3)cc1 43761233 JSQJFRXQDFJZAH-YBFXNURJSA-N 310.401 3.107 50 50 DGGA O=C(COc1cccc2ccccc12)N/N=C/c1ccccc1 257819 SYWAYBZKZNWIEQ-DEDYPNTBSA-N 304.349 3.369 50 50 DGGA Cc1cc(C)cc(O[C@H](C)C(=O)NN=Cc2cccs2)c1 238900769 JUUCJQFTSNXGKF-CYBMUJFWSA-N 302.399 3.283 50 50 DGGA Cc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc(Cl)cc2)o1 234433 ZWQXXXCLEORJTM-DTQASYIRSA-N 305.765 3.192 50 50 DGGA O=C(N/N=C/c1cccc(Cl)c1Cl)[C@@H](O)c1ccccc1 437086 QVVYCAGRKCDSGE-RMNBPEERSA-N 323.179 3.177 50 50 DGGA CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccco2)cc1 211595558 VEYKYHXMQASYRW-RAXLEYEMSA-N 310.309 3.002 50 50 DGGA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCl 1465304 AFBVMBQTWCUUHF-UHFFFAOYSA-N 309.774 3.379 50 50 DGGA Cn1c(/C(C#N)=C(\O)c2ccc([N+](=O)[O-])cc2)nc2ccccc21 100505662 MHDQZKUKVVDWNB-SSZFMOIBSA-N 320.308 3.431 50 50 DGGA O=C(O)CCCCP(=O)(c1ccccc1)c1ccccc1 64859378 KIGXMYYGQYMICF-UHFFFAOYSA-N 302.310 3.255 50 50 DGGA in-vitro CCOC(=O)/C(C#N)=C/Nc1cccc(C(=O)c2ccccc2)c1 1907502 ZFOHVLAVTGRCDI-DTQAZKPQSA-N 320.348 3.300 50 50 DGGA CC(C)N(Cc1ccc(N2CCC[C@H]2C)nc1)C(=O)[C@@H](C)Cl 1875377399 DHLUUDGVGBGHSN-ZIAGYGMSSA-N 323.868 3.435 50 50 DGGA C[C@H](Cl)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 1875377944 RWSFCYPKQILHCH-UWVGGRQHSA-N 320.742 3.028 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1[C@@H]1CC=CCC1 83337 PZKPNPNOOPEEFP-IAQYHMDHSA-N 320.348 3.319 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)[C@H]2CCCC=C12 19595103 WZTQQKVOIGWANE-DOTOQJQBSA-N 318.355 3.419 50 50 DGGA CCN(CC)c1ccc(/C=N/NC(=O)c2cccs2)c(O)c1 43257 XACAHTXEQUTLIK-GZTJUZNOSA-N 317.414 3.064 50 50 DGGA O=C(N/N=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 433525 MGEYTMUYPIRQFE-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA COC(=O)c1cc(CBr)cc(CBr)c1 113867474 VKDYWLKLAIJZPL-UHFFFAOYSA-N 321.996 3.263 50 50 DGGA COc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC)cc1C#N 132577009 WNMODYQIBNVLHK-GDNBJRDFSA-N 318.332 3.365 50 50 DGGA C=CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1 3148146 MMCARCGRRQSVMS-CPNJWEJPSA-N 310.353 3.024 50 50 DGGA CCC[C@H](C)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 83374 OPZZXYMLNBDWDU-HZMBPMFUSA-N 310.353 3.399 50 50 DGGA Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)cc1[N+](=O)[O-] 2890404 WUHPJRXRJUXGBH-IZZDOVSWSA-N 313.338 3.356 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1F 47855 PTFPNDZCYDFUGO-HNNXBMFYSA-N 312.344 3.277 50 50 DGGA O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cn2)nc1 1734461 ROUFCTKIILEETD-UHFFFAOYSA-N 310.316 3.092 50 50 DGGA O=C(CCCl)Nc1ccccc1C(=O)NC1CCCCC1 6863713 BTGJOALQZUGHLD-UHFFFAOYSA-N 308.809 3.317 50 50 DGGA CC1(C)OB(c2ccc(F)cc2CBr)OC1(C)C 169747241 SFRDMJLPJZYEJB-UHFFFAOYSA-N 314.991 3.020 50 50 DGGA in-vitro CCCc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 5051881 AJDSJKSISRGLDX-CYBMUJFWSA-N 314.776 3.234 50 50 DGGA O=[N+]([O-])c1cc(CBr)c(F)cc1Br 238568648 XRVLPLOHBUOFQA-UHFFFAOYSA-N 312.920 3.391 50 50 DGGA C[C@H]1CN(c2cccc(Cl)c2)CCN1C(=O)[C@@H](C)Cl 1875380009 BXZXMWTYJKUGKH-WDEREUQCSA-N 301.217 3.004 50 50 DGGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@@H]1c1ccccc1F 292298 OXUFIHYOBGMXJW-HNNXBMFYSA-N 316.719 3.403 50 50 DGGA O=C(CCl)OCCN(Cc1ccccc1)Cc1ccccc1 307704580 WZBWXVXNQLQEPK-UHFFFAOYSA-N 317.816 3.471 50 50 DGGA CC(C)(C)OC(=O)N(N)Cc1ccccc1Br 1857781947 VEYXPCZKKWBCMI-UHFFFAOYSA-N 301.184 3.060 50 50 DGGA COc1cc(CBr)cc(OC)c1Br 22008395 CFSLZFORZMVWTE-UHFFFAOYSA-N 309.985 3.361 50 50 DGGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1 283412 UEODAGMPPMCDNO-CXUHLZMHSA-N 318.720 3.404 50 50 DGGA CCc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 11582373 LYTKBKKQPXWFQR-OAHLLOKOSA-N 310.397 3.475 50 50 DGGA O=C1[C@H](Br)CCN1c1cccc(C(F)(F)F)c1 160251 FBWCCKYAGCRWTI-SECBINFHSA-N 308.097 3.206 50 50 DGGA Cc1ccccc1NCC(=O)N/N=C\c1cccc(Cl)c1 32593046 FPAIRSFCRVPRBF-GRSHGNNSSA-N 301.777 3.211 50 50 DGGA C[C@@H]([C@@H]1CCCO1)N(Cc1cccc2cc[nH]c12)C(=O)CCl 1875382457 BTZYJZSUOVFHPS-WFASDCNBSA-N 320.820 3.303 50 50 DGGA O=C(N/N=C/[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1Cl 4989586 KODRVOVCHSSWKW-JSJZUPIVSA-N 307.737 3.320 50 50 DGGA N#CSCCCOc1ccc(I)cc1 2885551 WPMWMUPOEDWLKT-UHFFFAOYSA-N 319.167 3.274 50 50 DGGA C[C@H]1C/C(=N/NC(=O)c2cccc(F)c2)c2ccc(O)cc2C1 32116745 TVXQVGZPVORKHE-PLYKVXEXSA-N 312.344 3.248 50 50 DGGA O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(F)cc1 30802375 QSFBMOZIJNWETJ-NVMNQCDNSA-N 306.724 3.008 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(F)c2)[C@H]2CCCC=C12 19594729 DOKRJWGZSOSAQE-DOTOQJQBSA-N 318.355 3.419 50 50 DGGA C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1cccc(O)c1 13321858 LDZSMBBTXVYZLS-WOJGMQOQSA-N 314.410 3.487 50 50 DGGA O=C(COc1ccccc1Cl)N/N=C/c1ccc(F)cc1 566417 XYFWMJNYYTYESR-GIJQJNRQSA-N 306.724 3.008 50 50 DGGA CN(C)Cc1ccc(-c2ccccc2CNC(=O)CCl)cc1 1319797712 MTIAWCNNSZWRTD-UHFFFAOYSA-N 316.832 3.270 50 50 DGGA C/C(=N\NC(=O)COc1ccc(C)cc1C)c1cccs1 289049 NMCSEWMYNCWUJF-GHRIWEEISA-N 302.399 3.284 50 50 DGGA CC[C@@H](C)[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1 253400932 FFSFYCIXUSGUIK-JHJVBQTASA-N 305.509 3.224 50 50 DGGA biogenic O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1O 65427 VFLYSWYQQROVEY-CAOOACKPSA-N 309.152 3.463 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccs1 36184 DWRDVOZZROOHRX-CYBMUJFWSA-N 300.383 3.199 50 50 DGGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1c(F)cccc1Cl 7516633 DLAMATKMXQJGDK-AWEZNQCLSA-N 316.719 3.403 50 50 DGGA O=C(N/N=C\C=C\c1ccco1)c1ccc(Br)cc1 14010334 UCRIWYPMZDZCQJ-JWWOBIEHSA-N 319.158 3.471 50 50 DGGA CC1(C)O[C@H]2C(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 169808158 BQTFEDRKSDLHNA-RTXFEEFZSA-N 300.471 3.117 50 50 DGGA CC[C@H](NC(=O)/C(C#N)=C\c1cc2n(n1)CCC2)c1ccccc1 849249416 IBATUMHPIWXXIW-RXBGNRNISA-N 320.396 3.004 50 50 DGGA C/C(=N\NC(=O)c1ccco1)c1ccc(Br)cc1 4996204 MBVVAQWLMFGGBU-OQLLNIDSSA-N 307.147 3.196 50 50 DGGA CCOc1cccc(/C=N/NC(=O)c2c[nH]c3ccccc23)c1 6488557 PULKIFQNVZUMAV-RGVLZGJSSA-N 307.353 3.331 50 50 DGGA O=C(N/N=C/c1cccc(Cl)c1)c1cc(-c2ccccc2)n[nH]1 5317556 HCUMEZJPKIMRFC-YBFXNURJSA-N 324.771 3.494 50 50 DGGA C[C@H](Cl)C(=O)N1CC(OCc2cccc3ccccc23)C1 1875363662 QATYOLFUOGOBHH-LBPRGKRZSA-N 303.789 3.195 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(F)c2)[C@@H]2CCCC=C12 19594731 DOKRJWGZSOSAQE-NVXWUHKLSA-N 318.355 3.419 50 50 DGGA O=C(N/N=C/c1ccc(F)cc1)c1ccc(Br)cc1 273655 VWLZIFMOIBEMBS-RQZCQDPDSA-N 321.149 3.352 50 50 DGGA CSc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1 8568486 BJTKUZNWLUPYAY-DJKKODMXSA-N 310.382 3.049 50 50 DGGA N#Cc1ccc(CBr)c(I)c1 71789950 WTPXWARAYTYZIY-UHFFFAOYSA-N 321.943 3.058 50 50 DGGA Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 293065 KGNLUZZVRQVPBU-INIZCTEOSA-N 308.381 3.446 50 50 DGGA CCOC(=O)/C(C#N)=C/c1cc2c(OC)cccc2cc1OC 148995512 XZUGPDODABUOHK-RIYZIHGNSA-N 311.337 3.327 50 50 DGGA Cc1cc(C)cc(NC(=O)NNC(=S)NC2CCCCC2)c1 5060705 VYGQLSSHGVFLFM-UHFFFAOYSA-N 320.462 3.137 50 50 DGGA C[C@H](Cl)C(=O)NCc1ccc(COCC(F)(F)F)cc1 1875364815 UVAAYGRAOMTPDA-VIFPVBQESA-N 309.715 3.009 50 50 DGGA O=C(CCl)NCc1ccc(-c2nc3ccccc3s2)o1 1319676464 VXJXTEXIFFDVKR-UHFFFAOYSA-N 306.774 3.411 50 50 DGGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C)sc1C 619369 BGGHVJOXANICQO-CQSZACIVSA-N 318.398 3.010 50 50 DGGA CC[C@H](C)[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1 606440353 FFSFYCIXUSGUIK-RWMBFGLXSA-N 305.509 3.224 50 50 DGGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 112573 FDZYRRRIVZQFNM-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA CN(Cc1ccccc1CNC(=O)CCl)C1CCCCC1 1253963602 XDRDBIBNDDVSLB-UHFFFAOYSA-N 308.853 3.306 50 50 DGGA C[C@@H](Cl)C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 1875380187 HQZOWZHYLBBUFG-WBMJQRKESA-N 303.789 3.131 50 50 DGGA Cn1cccc1CC(=O)N/N=C/c1cccc(Cl)c1Cl 230803 VMAJLFRHDWIUMK-RQZCQDPDSA-N 310.184 3.025 50 50 DGGA Cc1ccsc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 242078 RWEKGHITSFBQQL-SDBXPKJASA-N 300.383 3.117 50 50 DGGA C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(N=C=S)cc1 19737297 XDYJHECGSLGEFR-TXEJJXNPSA-N 310.444 3.373 50 50 DGGA O=C(CCl)N[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 1875378100 VRVCDROBMRWGDL-ISVAXAHUSA-N 322.619 3.426 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)c(F)c1 242163 IMAUWRVOYVMXJI-ANRSDYALSA-N 316.307 3.026 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccsc1 291613 BIJRCIXNGOXHDC-CYBMUJFWSA-N 300.383 3.199 50 50 DGGA Cc1c(O)ccc2c1CCC/C2=N\NC(=O)c1cccc(F)c1 13382268 JZGGDPOJSQPUCR-CAPFRKAQSA-N 312.344 3.310 50 50 DGGA CCC/C(=N\NC(=O)C1CC1)c1ccc(Br)cc1 4956022 MSTCNRCQQAYWNG-DTQAZKPQSA-N 309.207 3.480 50 50 DGGA CO[C@H](C(=O)N/N=C/c1c(C)cc(C)cc1C)c1ccccc1 437580 FZLWFCPDUVVNRD-TYJAPOHBSA-N 310.397 3.450 50 50 DGGA COCc1ccccc1P(=O)(c1ccccc1)c1ccccc1 105604622 RXUJVTHYYAMYEA-UHFFFAOYSA-N 322.344 3.472 50 50 DGGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc2ncccc2c1 1390467 WEJPEBFFNMLZQL-WSDLNYQXSA-N 314.348 3.480 50 50 DGGA NNC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21 242444 JMPSXEYKMMRZKX-UHFFFAOYSA-N 322.195 3.481 50 50 DGGA COc1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC 5687036 NFYBCVMYJQCXDM-UHFFFAOYSA-N 321.336 3.159 50 50 DGGA COc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 15357244 LQTSPHXSWQDRHM-LCYFTJDESA-N 323.308 3.149 50 50 DGGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccc(Cl)cc1 5350044 UVFJCAIIFBEINQ-VCHYOVAHSA-N 316.792 3.096 50 50 DGGA CCCCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 3276440 DBXBHPUUZQXQNG-CPNJWEJPSA-N 312.369 3.335 50 50 DGGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc(Cl)cc1Cl 5317592 KEHLKEDQLDXMPM-CAOOACKPSA-N 311.172 3.179 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@@H]2CCCC=C12 19594955 ILUYWILPSKYJNL-IUODEOHRSA-N 306.394 3.342 50 50 DGGA O=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)cc2)n[nH]1 6813609 PMGBUGDKHFONEX-RQZCQDPDSA-N 314.732 3.087 50 50 DGGA CO[C@H](C(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1 438203 JMKZRUSTJNLCSU-LZNAANCOSA-N 302.761 3.178 50 50 DGGA C/[N+](=C1\O[C@@H](CCl)CS1)C12CC3CC(CC(C3)C1)C2 23115297 HQMXEDLXXBHMEF-KWIVCNAUSA-N 300.875 3.324 50 50 DGGA Cn1c(Cl)cnc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 491052548 VVKQEOWBEYKBAI-RMKNXTFCSA-N 321.167 3.273 50 50 DGGA C[C@@H]1CCCC/C1=N\NC(=O)CCC(=O)Nc1ccccc1 16666987 MGHPFBZCJUTCGY-PETKRDDUSA-N 301.390 3.088 50 50 DGGA CN(C(=O)CCl)[C@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 1875376774 HXRBLOBUTRCVHA-VIFPVBQESA-N 312.747 3.001 50 50 DGGA ClC[C@]12[C@@H]3[C@H]4[C@@H]5[C@H]6[C@H]3[C@H]3[C@H]7[C@@H]6[C@H]6[C@@H]5[C@H]5[C@@H]4[C@@H]1[C@H]1[C@@H]5[C@H]6[C@H]7[C@H]1[C@@H]32 257359081 YHQOAURTASZOQU-HPZSYWOISA-N 308.852 3.069 50 50 DGGA COc1ccc([C@@H]2CC(=O)OC(=O)N2C(=O)OC(C)(C)C)cc1 32098813 UNDXQUCUIVJJFK-LBPRGKRZSA-N 321.329 3.040 50 50 DGGA in-vitro C[C@H](Cl)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 1875377945 RWSFCYPKQILHCH-VHSXEESVSA-N 320.742 3.028 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2Cc1ccccc1 290552 SCSHQLZKMACATD-ZDUSSCGKSA-N 308.381 3.213 50 50 DGGA CN(C)C(C/C=N/OCc1ccccc1Cl)=C(C#N)C#N 5524793 XCHGJBMVUUEZFX-UFWORHAWSA-N 302.765 3.095 50 50 DGGA N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCCc2occc2C1 366510903 FSEWKFLPJBPCOR-XNTDXEJSSA-N 310.328 3.301 50 50 DGGA FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@@H](Cl)[C@@H]1C[C@H]2Cl 252430712 GNKANBMIUWGNED-QTBDOELSSA-N 302.045 3.056 50 50 DGGA Cc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 293453 CNOMBKLMKWZKIW-RQZCQDPDSA-N 317.732 3.321 50 50 DGGA O=C(NNc1ccncc1)c1ccc(OC(F)(F)Cl)cc1 194846088 CDRXTTVTQJVCOT-UHFFFAOYSA-N 313.691 3.006 50 50 DGGA C[C@H](Cl)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1875363657 PPTFMMJWGZJFEV-SWLSCSKDSA-N 317.820 3.052 50 50 DGGA CCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)s1 43744 CLKCZZKCUGUGMO-AWEZNQCLSA-N 300.383 3.125 50 50 DGGA CNc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12 1741156 ZQALNKIFVKHAQU-CIAFOILYSA-N 319.364 3.351 50 50 DGGA CCOc1ccc(-c2cc(C(=O)NN)c3cc(C)ccc3n2)cc1 2754984 SMRLKFBNZAEEFG-UHFFFAOYSA-N 321.380 3.212 50 50 DGGA C/C=C1\C[N@@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)N(C)c1ccccc14 252461281 LUFYNCYNXSSUJL-GVAUZBLMSA-N 321.444 3.026 50 50 DGGA biogenic Fc1cc(I)ccc1CBr 116796725 VDARUWWMXLYABC-UHFFFAOYSA-N 314.923 3.325 50 50 DGGA COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1Cl 298752 DBRKCAGZADQHQD-GIJQJNRQSA-N 306.724 3.252 50 50 DGGA O=C(CBr)c1cccc(OC(=O)c2ccccc2)c1 1698822 NBQCBERBYQMIFD-UHFFFAOYSA-N 319.154 3.483 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1 2485610 GDWMZWPGVLXWLW-RFAUZJTJSA-N 314.772 3.401 50 50 DGGA CSc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1 280651 CCGARJOSMQZYPN-WOJGMQOQSA-N 314.410 3.246 50 50 DGGA COc1ccc(/C(C)=N\NC(=O)Nc2ccccc2)c(OC)c1 12342877 JSFADCTVXHQUKW-UNOMPAQXSA-N 313.357 3.250 50 50 DGGA O=C(N/N=C\c1ccccc1O)c1cc2ccccc2cc1O 12360493 XTQAGBABCDSRSN-ODLFYWEKSA-N 306.321 3.015 50 50 DGGA O=C(NNC(=O)[C@H]1[C@H]2CCCC[C@H]21)Nc1cccc2ccccc12 245324867 BEHBQKGBIHFATN-SCAQPMJSSA-N 323.396 3.429 50 50 DGGA C[C@H]([C@@H]1CCCO1)N(Cc1cccc2cc[nH]c12)C(=O)CCl 1875382454 BTZYJZSUOVFHPS-DOMZBBRYSA-N 320.820 3.303 50 50 DGGA CCOc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 29764201 JHEUXRRJTCZMNZ-ATVHPVEESA-N 313.378 3.424 50 50 DGGA CN(CCO)c1ccc(/C=C(/C#N)c2ccc(C#N)cc2)cc1 1857791355 DIAVZHWDYXQAFC-PDGQHHTCSA-N 303.365 3.051 50 50 DGGA O=C(N/N=C/c1cccc2ccccc12)c1ccc2nc[nH]c2c1 546379 UUIMGOUZTXYFLI-SSDVNMTOSA-N 314.348 3.480 50 50 DGGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1cccc(C)c1 4230160 GUNHRCSURLOIOK-ZIKJKZHMSA-N 321.380 3.139 50 50 DGGA Cc1nn(C)c(C)c1CN(C(=O)CCl)[C@@H]1CCCC[C@@H]1C 1875382401 ZPGNUOUXEZFLTN-XHDPSFHLSA-N 311.857 3.183 50 50 DGGA O=C1Nc2ccc(Br)cc2CC[C@@H]1Br 203051596 RUCQBVMURFKTHQ-QMMMGPOBSA-N 318.996 3.097 50 50 DGGA COc1cc(C=NNC(=O)Nc2cccc(Cl)c2)ccc1O 238900027 HTOQJJVFFVDJGD-UHFFFAOYSA-N 319.748 3.210 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](Cc2ccccc2)[C@H]2CCCC=C12 34954484 HRQWKVGNQJFVMP-FUHWJXTLSA-N 314.392 3.355 50 50 DGGA N#C/C(=C\c1cccc2ccccc12)C(=O)NCc1cccnc1 16699593 DUWPNRFHKFLKLY-WOJGMQOQSA-N 313.360 3.458 50 50 DGGA CCOc1ccc(/C=N/NC(=O)c2cn(C)c3ccccc23)cc1 524295 HQIQONJXEHZXOK-UDWIEESQSA-N 321.380 3.341 50 50 DGGA C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc2c(c1)CCCC2 12343072 RZUDXJWGJIEOBW-ORTNRGLGSA-N 322.408 3.139 50 50 DGGA O=C(CCn1cnc2ccccc21)N/N=C/C=C/c1ccccc1 2196412 ZIUGHJHEALPELP-YTJXIWKKSA-N 318.380 3.242 50 50 DGGA COC(=O)c1ccc(CBr)c(Br)c1 115095958 CFJQBNFFHMBNKQ-UHFFFAOYSA-N 307.969 3.131 50 50 DGGA Cc1cc(OCc2ccc(C(=O)NN)cc2)cc(C)c1Cl 2568624 QCDWPORENMKGAV-UHFFFAOYSA-N 304.777 3.139 50 50 DGGA O=C(N/N=C/c1cccc(F)c1)c1ccc2ccccc2c1O 6244026 XMWKWJJNAXWXPI-RGVLZGJSSA-N 308.312 3.448 50 50 DGGA CCCC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 6397441 VTFVARHCQNXHOJ-UHFFFAOYSA-N 306.218 3.111 50 50 DGGA O=C(CSc1ccc2ccccc2n1)N/N=C/c1ccccc1 58579 GPUCZHYOUGBVGK-XDHOZWIPSA-N 321.405 3.477 50 50 DGGA Cc1cc(C)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 288655 JHFIFCYRJUKHNJ-VCHYOVAHSA-N 311.341 3.284 50 50 DGGA C[C@H](Cl)C(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 1875363792 AIOKMJKRSYFHCV-IINYFYTJSA-N 324.211 3.305 50 50 DGGA CC(=O)[C@H](Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 238853582 KGLJRCICJGJYES-VIFPVBQESA-N 314.090 3.494 50 50 DGGA O=C(CCl)N[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 1875378101 VRVCDROBMRWGDL-OQPBUACISA-N 322.619 3.426 50 50 DGGA Cc1cc(CN(C(=O)CCl)c2ccc(C)nc2C)cc(C)n1 1875382472 CJZMIRZZBXKTQB-UHFFFAOYSA-N 317.820 3.482 50 50 DGGA N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)c1ccc(F)cc1 5049962 IIVPWKDDEYKGAG-ZROIWOOFSA-N 319.339 3.330 50 50 DGGA COc1ccc(CN(CC2CC2)C(=O)[C@@H](C)Cl)c(OC)c1 1875377691 KYGNIAYRYKYBGA-LLVKDONJSA-N 311.809 3.070 50 50 DGGA CSc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 58719 ODUWWRMAWVFCNY-OAHLLOKOSA-N 312.394 3.223 50 50 DGGA C[C@@H](Br)C(=O)Nc1ccc(Br)cc1 152394 FJXNJUQSLIKVOC-ZCFIWIBFSA-N 306.985 3.171 50 50 DGGA COc1cccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c1OC 25539642 FALDCMVHMBKAQY-KRWDZBQOSA-N 324.380 3.195 50 50 DGGA FC(F)(F)C(F)(F)[C@@H](Br)CBr 95682161 LRKIMNKTUXHNLV-REOHCLBHSA-N 305.866 3.342 50 50 DGGA in-vitro COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1 297202 CWJREUYVTDVNCD-UDWIEESQSA-N 320.348 3.318 50 50 DGGA C[C@H]1CC(C(=O)NCCSSCCC(=O)O)C[C@H](C)C1 1875388959 WPGNSSAJAFHQNL-GHMZBOCLSA-N 319.492 3.031 50 50 DGGA CC(=O)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 332757 VDMKRHCZIIYLGT-UHFFFAOYSA-N 312.760 3.413 50 50 DGGA CCC[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1 446625 RLSTUYJJGIQXEZ-INIZCTEOSA-N 302.310 3.254 50 50 DGGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1ccc(C)cc1 25758177 XRGLQTOGFMSDEX-VFBGBMQPSA-N 321.380 3.139 50 50 DGGA COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 1446770 RKAJRNRVQUSERL-IQGJIOQQSA-N 306.365 3.480 50 50 DGGA COC(=O)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 4149405 UOAOVQWGUYMVLC-GXDHUFHOSA-N 303.321 3.414 50 50 DGGA C[C@H](Cl)C(=O)N1CCN(c2cccc(Cl)c2)C[C@@H]1C 1875380008 BXZXMWTYJKUGKH-QWRGUYRKSA-N 301.217 3.004 50 50 DGGA CCCCCCCC(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1 2865033 AQYQNXZFQHFXAQ-HOTGVXAUSA-N 302.418 3.298 50 50 DGGA CO[Si](CCCCCCCCCCCON)(OC)OC 169744972 SDAAYIFGIWPAIZ-UHFFFAOYSA-N 307.507 3.266 50 50 DGGA C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 4992253 NQCKHAPSABOVAL-YVLHZVERSA-N 317.732 3.402 50 50 DGGA Cc1nc2ccccc2n1CC(=O)N/N=C/C=C/c1ccccc1 13124218 OBRIRPAPWWRYPO-ADCWSOHQSA-N 318.380 3.160 50 50 DGGA Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)o1 15986534 QTLOIYGRYWJXDZ-CEGJKDKLSA-N 320.352 3.407 50 50 DGGA COC(=O)c1c(NC(=O)CCCl)sc2c1CC[C@H](C)C2 5529415 SJTDJWLUUDDMQK-QMMMGPOBSA-N 315.822 3.227 50 50 DGGA CCCc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)cc1 4372698 JOAZBWAPVLUPRX-DEDYPNTBSA-N 310.397 3.477 50 50 DGGA CCOc1ccc(C(=O)NN=Cc2ccc3c(c2)CCC3)cc1 4582452 ZDZIFDVENUJOAP-UHFFFAOYSA-N 308.381 3.338 50 50 DGGA Cc1cccc(C(=O)NNC(=O)/C=C/c2ccccc2Cl)c1 146534 WUYYJMJJVSZHDY-MDZDMXLPSA-N 314.772 3.123 50 50 DGGA O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1ccccc1 292847 NEVUBFOALFKYOJ-UHFFFAOYSA-N 319.408 3.237 50 50 DGGA CC1(C)OC[C@H]2OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1 169744743 PYHWHKQRALSXOY-UPJWGTAASA-N 300.471 3.441 50 50 DGGA C[C@H](Cl)C(=O)NC[C@H](O)c1ccc(-c2ccccc2)cc1 1875380185 HQZOWZHYLBBUFG-LRDDRELGSA-N 303.789 3.131 50 50 DGGA CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)[C@H](F)Cl 2325898471 FGWXLLGBDHALRK-LBPRGKRZSA-N 319.207 3.302 50 50 DGGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 241266 VMJIVDKCGDCKKD-INIZCTEOSA-N 309.394 3.209 50 50 DGGA CCc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)s1 372821 RDLINROCYLGQMP-LZYBPNLTSA-N 308.790 3.433 50 50 DGGA CC[C@H](C)[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1 606440357 FFSFYCIXUSGUIK-YNEHKIRRSA-N 305.509 3.224 50 50 DGGA CCOC(=O)CP(=O)(c1ccccc1C)c1ccccc1C 100638629 IURIAEKRWISAFV-UHFFFAOYSA-N 316.337 3.180 50 50 DGGA CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](Br)C1 307026018 IRFLABNYJWMBIT-SSDOTTSWSA-N 300.143 3.026 50 50 DGGA Cc1ccccc1Oc1ncccc1C(=O)/C(C#N)=C/N(C)C 4105350 UUNNQPFANKIKTH-WYMLVPIESA-N 307.353 3.334 50 50 DGGA O=C(N/N=C/c1cccc(Br)c1)c1cccc(F)c1 298638 YLFQEUMJGFWBKD-RQZCQDPDSA-N 321.149 3.352 50 50 DGGA Cc1nn(-c2ccccc2)c2c1C(=O)[C@@H](Br)CC2 1422545 IWDMORQGHIJGDZ-NSHDSACASA-N 305.175 3.073 50 50 DGGA CC(C)(C)c1n[nH]c2c1[C@@H](C1CCCCC1)C(C#N)=C(N)O2 5901609 VCIIUIJOLVCZQU-LBPRGKRZSA-N 300.406 3.457 50 50 DGGA Cc1occc1C(=O)N/N=C/c1ccc(Br)s1 71712 PNJPDQJPCKRZDO-AWNIVKPZSA-N 313.176 3.176 50 50 DGGA Cn1cccc1CC(=O)N/N=C/c1c(Cl)cccc1Cl 230824 ISNCNLVIYUWVBI-RQZCQDPDSA-N 310.184 3.025 50 50 DGGA COc1ccc(C)cc1NC(=O)NNc1ccc([N+](=O)[O-])cc1 4828740 ZSHLBRXWFOQDGQ-UHFFFAOYSA-N 316.317 3.060 50 50 DGGA ClC[C@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@H]([C@H]1[C@@H]([C@@H]63)[C@H]7%10)[C@H]1[C@H]9[C@H]([C@@H]58)[C@H]4[C@H]12 257359078 YHQOAURTASZOQU-ASGAOGOTSA-N 308.852 3.069 50 50 DGGA C[C@@H](Cl)C(=O)NCc1cc(F)c(C(F)(F)F)cc1F 1875366136 SMBIUQCAWOAYNF-RXMQYKEDSA-N 301.642 3.227 50 50 DGGA O=C(COc1ccc(Cl)cc1)N/N=C/CCc1ccccc1 5006700 NGZCIDRBJHNKPC-XDHOZWIPSA-N 316.788 3.454 50 50 DGGA Cc1cc(Br)c(NC(=O)CCl)c([N+](=O)[O-])c1C 1857526124 NTCSBEWRBARTCR-UHFFFAOYSA-N 321.558 3.151 50 50 DGGA Cc1cc(NNC(=O)c2ccc(N)cc2)c2cccc(C)c2n1 273609 ICDHMWYJPOCHOM-UHFFFAOYSA-N 306.369 3.191 50 50 DGGA CCCSC1=C(C#N)[C@@H](c2cccc(OC)c2)CC(=O)N1 2904965 GBKGKEIYBREFMS-CYBMUJFWSA-N 302.399 3.177 50 50 DGGA CC(C)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 288670 YMWQTALHZMGXGE-WOJGMQOQSA-N 311.341 3.482 50 50 DGGA CCCCCOc1cccc(/C=N/NC(=O)c2ccncc2)c1 6264186 QOWQZKPZPYLWPI-XSFVSMFZSA-N 311.385 3.415 50 50 DGGA CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 19760544 IGCQPCVKAVMDBL-INIZCTEOSA-N 309.325 3.086 50 50 DGGA CCc1ccc(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)cc1 2553412 FVWHNQACDKCZOQ-KEAYEENMSA-N 321.380 3.003 50 50 DGGA CC(F)(F)c1ccc(C(=O)NNc2ccc(C#N)cc2)cc1 815852503 XRODDOIBJRGWGA-UHFFFAOYSA-N 301.296 3.427 50 50 DGGA COC(=O)c1ccccc1NC(=O)[C@@H](Cl)c1ccccc1 35133702 IPWFLSTZUNYNMP-AWEZNQCLSA-N 303.745 3.392 50 50 DGGA CN(C)c1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 1020614 OYZZCWPTOMESCN-WLWPOCPESA-N 307.397 3.006 50 50 DGGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(O)cc1 3025225 GYBQBVWPIFVKJW-UDWIEESQSA-N 320.348 3.075 50 50 DGGA Fc1cccc(CBr)c1I 95917625 LQOWWTYOLGCJNG-UHFFFAOYSA-N 314.923 3.325 50 50 DGGA in-vitro O=C(NNC(=O)c1ccco1)Nc1ccc(Cl)cc1Cl 5060619 GWTILVGSLWFXIP-UHFFFAOYSA-N 314.128 3.053 50 50 DGGA O=C1Nc2ccc(Br)cc2CC[C@H]1Br 203051607 RUCQBVMURFKTHQ-MRVPVSSYSA-N 318.996 3.097 50 50 DGGA CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccnc1 205407 WDOIQXLSUHZAMD-GOSISDBHSA-N 320.396 3.146 50 50 DGGA Cc1ccc(P(=O)(CSC(=N)N)c2ccc(C)cc2)cc1 8576260 WFTNLTBSNBUOPC-UHFFFAOYSA-N 318.382 3.202 50 50 DGGA C/C(=N\NC(=O)c1ccccc1O)c1ccc2ccccc2c1O 14920183 LJGDTCIGYKNKQN-UDWIEESQSA-N 320.348 3.405 50 50 DGGA CCOC(=O)c1c(NC(=O)CCl)sc2c1CC[C@@H](C)C2 1940203 WZZDTSHULCEHQQ-MRVPVSSYSA-N 315.822 3.227 50 50 DGGA COC(=O)[C@H](CSSC(C)(C)C)NC(=O)OC(C)(C)C 675050716 QEYOJTFOVGAWTL-VIFPVBQESA-N 323.480 3.233 50 50 DGGA Cc1nn(C)c(C)c1CN(C(=O)CCl)[C@H]1CCCC[C@H]1C 1875382398 ZPGNUOUXEZFLTN-ABAIWWIYSA-N 311.857 3.183 50 50 DGGA O=C(N/N=C\c1ccc(Oc2ccccc2)cc1)c1csnn1 29763483 KNVSHXMZFIMSRT-YVLHZVERSA-N 324.365 3.094 50 50 DGGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)Nc1cccc2ccccc12 217443431 BEHBQKGBIHFATN-QLPKVWCKSA-N 323.396 3.429 50 50 DGGA CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1O 12374240 CUMBMROLBJOWPC-YBEGLDIGSA-N 322.364 3.014 50 50 DGGA C[C@@H](Cl)C(=O)N1CC(OCc2cccc3ccccc23)C1 1875363661 QATYOLFUOGOBHH-GFCCVEGCSA-N 303.789 3.195 50 50 DGGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1 580525 SMRQNMIWCMSHPQ-VCHYOVAHSA-N 302.761 3.178 50 50 DGGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1c(F)cccc1Cl 7516632 DLAMATKMXQJGDK-CQSZACIVSA-N 316.719 3.403 50 50 DGGA c1ccc(P(CCNCc2ccccn2)c2ccccc2)cc1 103688426 DVQHYVUCLLZGSW-UHFFFAOYSA-N 320.376 3.304 50 50 DGGA Cc1c(Br)ccc(NC(=O)CBr)c1C 40451245 NWUCMRKGFNXJQK-UHFFFAOYSA-N 321.012 3.399 50 50 DGGA O=C(Cl)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12 2506124 RDVIVYUKRJAERC-UHFFFAOYSA-N 319.769 3.257 50 50 DGGA CSc1ccc(/C=C(\C#N)C(=O)NCc2ccccn2)cc1 17031994 AKLIIUCACPRABR-GXDHUFHOSA-N 309.394 3.027 50 50 DGGA COc1ccccc1OCC(=O)N/N=C(C)/C=C/c1ccccc1 12483594 GRXZJETXMLNNIO-PAIIRMBHSA-N 324.380 3.280 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1 75906 TXMRXVTUYZRQML-HNNXBMFYSA-N 316.316 3.011 50 50 DGGA Oc1cc(CCl)nc(-c2cccc(OC(F)(F)F)c2)n1 526055873 MEDFSDUXHHJQBU-UHFFFAOYSA-N 304.655 3.487 50 50 DGGA Cc1n[nH]c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 32562693 LWGHDZDVLKSUSC-LLVKDONJSA-N 321.167 3.243 50 50 DGGA COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(OC)c1O 16675711 ZDDQZHYZCTUTIU-GHXNOFRVSA-N 321.336 3.350 50 50 DGGA O=C(CCl)NCCc1cccc2c1Oc1ccccc1O2 1875374534 VMLNOQURCVKZSX-UHFFFAOYSA-N 303.745 3.482 50 50 DGGA CC(C)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 9186650 WJCCHJLBVFUVHP-YBFXNURJSA-N 310.401 3.176 50 50 DGGA O=C(Cc1c(Cl)cccc1Cl)N/N=C/c1cccnc1 15934191 XMZOLOBFOWPGAU-GIJQJNRQSA-N 308.168 3.081 50 50 DGGA Cc1ccsc1/C=N/NC(=O)c1c[nH]nc1-c1cccs1 6420921 YWMSJNGOIOEBJT-LZYBPNLTSA-N 316.411 3.272 50 50 DGGA COc1ccc(-c2csc(CCNC(=O)[C@H](C)Cl)n2)cc1 1875363747 XHCPSDJEBVDSHT-JTQLQIEISA-N 324.833 3.105 50 50 DGGA C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1 4366476 WDKWTZNJLYRSTF-DEDYPNTBSA-N 324.380 3.089 50 50 DGGA COc1ccc(/C(C#N)=C/c2ccc3c(c2)OCO3)cc1OC 194876 RQHQPTASOUIIDK-VGOFMYFVSA-N 309.321 3.497 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c[nH]c2ccccc12 207684 PSHTWQGAPIQDBV-BTDLBPIBSA-N 319.364 3.229 50 50 DGGA Nc1nc(CCl)nc(Nc2cccc(Cl)c2Cl)n1 85389071 DKYLKZIHJYEOHC-UHFFFAOYSA-N 304.568 3.243 50 50 DGGA C[C@@H]1[C@@H]2OC(=O)[C@]13c1ccccc1CC[C@H]3C[C@@H]2Br 71785964 KSRMDUDROJJMGP-NYCQCHHYSA-N 321.214 3.216 50 50 DGGA COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 1446772 RKAJRNRVQUSERL-RFRKOGIWSA-N 306.365 3.480 50 50 DGGA CCOC(OCC)P(=O)(c1ccccc1)c1ccccc1 295854 LKSRYMVZGUQOFC-UHFFFAOYSA-N 304.326 3.357 50 50 DGGA C/C(=N\NC(=O)CCC(=O)Nc1cccc(C)c1)c1ccccc1 5548191 KLPPGYLEQLXVAV-RCCKNPSSSA-N 323.396 3.254 50 50 DGGA C[C@@H](NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1)c1ccccc1 5093533 KVUXKYSTSCKLSR-VVBXCHJUSA-N 320.348 3.169 50 50 DGGA COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])cc1 445529 INYFRCXXNJBKLZ-JLHYYAGUSA-N 323.308 3.149 50 50 DGGA CO[Si](CCCCCCCCCCN=C=O)(OC)OC 169744985 GUOFKJBNQHCAKJ-UHFFFAOYSA-N 303.475 3.321 50 50 DGGA Cc1ccc(N2C(=O)C[C@@]3(C[C@@H](Cl)N=N3)C2=O)cc1Cl 4498644 DBQMSXSRTPPKHJ-GWCFXTLKSA-N 312.156 3.071 50 50 DGGA COc1ccccc1/C=C/C=N/NC(=O)Cc1cccs1 1745962 SDXSOQIFFNIAGF-CUQLSPFUSA-N 300.383 3.115 50 50 DGGA CCCN(CCBr)C(=O)OCc1ccccc1 601014269 CPMGKSRJRJQDME-UHFFFAOYSA-N 300.196 3.430 50 50 DGGA CC(C)(C)OC(=O)NCC(=O)CO[Si](C)(C)C(C)(C)C 195991918 GPCWVDDNSMMEGI-UHFFFAOYSA-N 303.475 3.102 50 50 DGGA O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1 54061422 JEFNDTXEEJIKII-UHFFFAOYSA-N 307.397 3.068 50 50 DGGA C[C@@H](Cl)C(=O)Nc1cccc2c1CN(c1nccs1)C2 1875378066 VCPGRMYKWSNDOW-SECBINFHSA-N 307.806 3.229 50 50 DGGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1C 207942 SDHMTPPYMAWYPY-QGZVFWFLSA-N 324.380 3.127 50 50 DGGA CC(C)(C)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 72689 PSGUKZCDZIIOJC-UDWIEESQSA-N 324.428 3.350 50 50 DGGA C[C@@H](Cl)C(=O)Nc1ccc(Cc2nc(C3CC3)no2)cc1 1875375984 LCWAQYUYWLODEY-SECBINFHSA-N 305.765 3.104 50 50 DGGA CC(C)c1cc(C(=O)N/N=C/c2c(F)cccc2Cl)n[nH]1 4962940 IXISXHNSJQZUKJ-REZTVBANSA-N 308.744 3.090 50 50 DGGA CC(C)(C)c1ccc(OCc2nc(CCl)cc(=O)[nH]2)cc1 5177864 FQWDHQHWYLWETO-UHFFFAOYSA-N 306.793 3.385 50 50 DGGA COc1cc(CBr)c(CBr)cc1OC 97972242 ARGOTHVUUGQGPD-UHFFFAOYSA-N 324.012 3.494 50 50 DGGA in-vitro Cc1nc2ccc(NC(=O)[C@H](F)Cl)c(Cl)c2nc1C 2325897752 HCRXDBGZWMUKPG-NSHDSACASA-N 302.136 3.373 50 50 DGGA C[C@@]1(C(=O)NN=C2C3CC4CC(C3)CC2C4)CC1(Cl)Cl 17053051 FLBIUNDSPKDPTN-QENMRVDCSA-N 315.244 3.499 50 50 DGGA COc1cc(C=C(C#N)C(=O)C(C)(C)C)c([N+](=O)[O-])cc1OC 2053515132 DXJQEUHRJMIGTQ-UHFFFAOYSA-N 318.329 3.134 50 50 DGGA O=C(NNc1nccnc1Cl)[C@H]1C[C@H]1c1ccccc1Cl 114897071 KHMQFAGROLTOLA-UWVGGRQHSA-N 323.183 3.030 50 50 DGGA O=C(Oc1ccc([N+](=O)[O-])cc1)C(C(F)(F)F)C(F)(F)F 2975511 NLZCGWGAAPMOOJ-UHFFFAOYSA-N 317.141 3.241 50 50 DGGA biogenic O=C(COc1ccccc1)N/N=C/c1cccc2ccccc12 286657 MIVNWRADYAJNCE-DEDYPNTBSA-N 304.349 3.369 50 50 DGGA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 6888955 CANXXSOCHLOIOM-XCVCLJGOSA-N 314.253 3.122 50 50 DGGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1O 267647 LMXQYJUMOFOCAJ-CAOOACKPSA-N 309.152 3.463 50 50 DGGA Cc1ccc(N2C(S)=C(C#N)C(=O)NC23CCCCC3)cc1 4116938 SEKVKQCZTWXZKR-UHFFFAOYSA-N 313.426 3.257 50 50 DGGA CC(C)(C)[Si](C)(C)O[C@]1(CNCc2cccnc2)CCOC1 1775991742 MGUVWYDNKLETHQ-KRWDZBQOSA-N 322.525 3.352 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](Cc2ccccc2)[C@@H]2CCCC=C12 34954483 HRQWKVGNQJFVMP-AEFFLSMTSA-N 314.392 3.355 50 50 DGGA O=C(CN1CCCCCC1)N/N=C/c1ccc2ccccc2c1 283191 BCEUJAXXCVCCKX-XSFVSMFZSA-N 309.413 3.166 50 50 DGGA COc1ccc(Cl)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1 25558183 JNNQZMLCDZENLG-UHFFFAOYSA-N 321.720 3.014 50 50 DGGA C[C@@H]1CCC[C@@H](C)N1C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 229677939 UGUDHZAZJHVLTJ-VPHXBNOSSA-N 312.369 3.112 50 50 DGGA CC1(C)c2ccccc2-c2ccc(-c3cccc(B(O)O)c3)cc21 202389596 UZCSDKIJFMZZDM-UHFFFAOYSA-N 314.193 3.340 50 50 DGGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2F)cc1 3189785 GJSREGURKQGSOV-XYOKQWHBSA-N 312.300 3.086 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1 241843 QUTLGHUSKDHQCH-PSLIRLAXSA-N 314.772 3.401 50 50 DGGA CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 8214360 NLYNIRQVMRLPIQ-XQLAAWPRSA-N 312.406 3.231 50 50 DGGA biogenic,world CC1(C)CC(=O)C2=C(C1)SC(N)=C(C#N)[C@H]2c1ccco1 20654129 IYJSTHUEGPTVKB-ZDUSSCGKSA-N 300.383 3.447 50 50 DGGA O=C(N/N=C/c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 260308 VMTXYXNPTORZFF-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA CCCc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 5051879 AJDSJKSISRGLDX-ZDUSSCGKSA-N 314.776 3.234 50 50 DGGA C[C@@]12CC[C@@H]([C@H](Br)C1=O)[C@@]2(C)CBr 3913879 DCDNKSJBRIJYEC-AKEJEFCPSA-N 310.029 3.150 50 50 DGGA C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc(O)cc1 4946934 OZIAJPHHGJIXKB-NDENLUEZSA-N 320.348 3.405 50 50 DGGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(O)c2ccccc2n1 3899756 QXMNLNCDGQSJMA-FMIVXFBMSA-N 318.292 3.308 50 50 DGGA Cc1nc(/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)sc1C 125455250 CELNQNCEZDDELC-WZUFQYTHSA-N 301.327 3.438 50 50 DGGA C/C(=N\NC(=O)c1ccc(Br)o1)c1cccs1 5006113 YMFXOGHEUXAZOF-NTUHNPAUSA-N 313.176 3.258 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@H]2CCCC=C12 19287783 GLTPZAGLCSGAKP-DOTOQJQBSA-N 300.365 3.280 50 50 DGGA CC(C)(C)OC(=O)CC[C@@H](Cl)B1OC(C)(C)C(C)(C)O1 1857786263 HJSJFQPXXBJVTI-SNVBAGLBSA-N 304.623 3.347 50 50 DGGA COc1ccccc1-c1noc([C@@]2(C)C[C@H]2Br)n1 952876909 HTGMSNQBVANARA-MFKMUULPSA-N 309.163 3.170 50 50 DGGA Cc1cc2ncn(C[C@H](NC(=O)[C@H](C)Cl)C3CC3)c2cc1C 1875364054 AWZJXYJMAJILGG-WFASDCNBSA-N 319.836 3.175 50 50 DGGA O=C(Cc1cccs1)N/N=C/c1ccccc1C(F)(F)F 553417 WLMOEKBPJGSADT-GIJQJNRQSA-N 312.316 3.460 50 50 DGGA CC[C@@H](NC(=O)[C@H](F)Cl)c1nc(C(F)(F)F)cs1 2325898507 HWITYGXXDGAGFE-XINAWCOVSA-N 304.696 3.264 50 50 DGGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@H]1c1ccccc1F 292300 OXUFIHYOBGMXJW-OAHLLOKOSA-N 316.719 3.403 50 50 DGGA [C-]#[N+][C@@H](c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 95686575 BTXVFJYPHAIAST-MRXNPFEDSA-N 301.367 3.395 50 50 DGGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1 5686473 KUEHQYDGOILTTH-LDADJPATSA-N 314.389 3.086 50 50 DGGA COc1ccc(C(=O)N/N=C/C=C/c2ccccc2)c(OC)c1 2893323 CJAYVQJEHIKOGM-YKIVCEQRSA-N 310.353 3.133 50 50 DGGA O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccccc2)n[nH]1 8922977 QWKXSNFUFKHYKQ-YBFXNURJSA-N 324.771 3.494 50 50 DGGA Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c1 4499359 HXUAUPUKCXOWNM-ZSOIEALJSA-N 306.321 3.269 50 50 DGGA O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1O 60461 ZPYWKMBUZHZNOG-CIAFOILYSA-N 319.364 3.108 50 50 DGGA ICCCCCI 6827735 IAEOYUUPFYJXHN-UHFFFAOYSA-N 323.943 3.027 50 50 DGGA O=C(CBr)c1cccc(OC(F)(F)F)c1F 91252011 ZPCAZEUWQWAEGU-UHFFFAOYSA-N 301.033 3.302 50 50 DGGA in-vitro CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 284868 ZXUJOMJFAHRYQC-FMIVXFBMSA-N 312.281 3.325 50 50 DGGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccccc1 6812742 XKNXAHRJFJGDLE-XDHOZWIPSA-N 304.353 3.149 50 50 DGGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2cccs2)n[nH]1 229643 SPORZXSTVLUVLL-RQZCQDPDSA-N 314.345 3.041 50 50 DGGA CCc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1 18148782 CLTRIKZBKSKPDR-WOJGMQOQSA-N 324.409 3.465 50 50 DGGA C/C(=C\C(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1 13124245 BYAVRLNSLWIZLL-VAWYXSNFSA-N 314.772 3.361 50 50 DGGA c1ccc(P(c2ccccc2)c2ccc3c(c2)OCO3)cc1 143474227 ZZGBVIZFVUGNJX-UHFFFAOYSA-N 306.301 3.174 50 50 DGGA CCOC(=O)NN(C(=O)OCC)c1ccc2c(c1)CCCC2 71769578 JHEXITWJUBANEC-UHFFFAOYSA-N 306.362 3.189 50 50 DGGA COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1O 445356 VEGDLAPHMIPUKI-XYOKQWHBSA-N 312.300 3.086 50 50 DGGA C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)c1ccccc1 6218244 KSGPVCASHRWJGM-XSFVSMFZSA-N 309.369 3.130 50 50 DGGA O=C(CBr)Nc1ccccc1C(=O)c1ccccc1 160352 HZQDHBGMMKYQDP-UHFFFAOYSA-N 318.170 3.251 50 50 DGGA Cc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cccs2)cc1 5594151 KGWOFBDSSWHDLK-ZDLGFXPLSA-N 310.382 3.211 50 50 DGGA N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(N)=O 101300 NESIEHUXIJACEI-JXMROGBWSA-N 317.142 3.101 50 50 DGGA Cc1occc1C(=O)N/N=C/c1ccccc1Br 228192 XHFBFAJAEFTLSW-OVCLIPMQSA-N 307.147 3.114 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl 241574 DPXQPJGRELQYPM-PSLIRLAXSA-N 314.772 3.401 50 50 DGGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 62980 XIZYZMPWLYNELN-CQSZACIVSA-N 300.745 3.155 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1 241855 QUTLGHUSKDHQCH-BJOHPYRUSA-N 314.772 3.401 50 50 DGGA CC(C)(C)OC(=O)N[C@@H](CSSC(C)(C)C)C(=O)O 2575135 PPQRALRLGBAWHD-QMMMGPOBSA-N 309.453 3.144 50 50 DGGA in-vitro N#CC1=C(N)C(C#N)(C#N)[C@@H](Cc2ccccc2)[C@H]2CCCC=C12 34954485 HRQWKVGNQJFVMP-WMZOPIPTSA-N 314.392 3.355 50 50 DGGA CC(C)(C)c1cc(C(=O)N/N=C/c2c(F)cccc2Cl)[nH]n1 8566487 LWZHSZSYQLUMLR-QGMBQPNBSA-N 322.771 3.264 50 50 DGGA CCc1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)s1 372646 MPFRMKGYKYPJJJ-GZTJUZNOSA-N 301.415 3.140 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1cccs1 5318910 JOIYCAKNPPNAFI-MHWRWJLKSA-N 314.370 3.194 50 50 DGGA O=C(N/N=C/c1ccc(Br)s1)[C@@H]1CC12CCC2 50660 VPQLJEGZSVLUIV-DUJAKZANSA-N 313.220 3.151 50 50 DGGA CCc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 94400 SLKYFILBJJHXCU-YBFXNURJSA-N 316.788 3.432 50 50 DGGA CCCC1=C(C(=O)OCC)[C@H](c2ccsc2)C(C#N)=C(N)O1 207295 XKJREXQGLOWQEH-CYBMUJFWSA-N 318.398 3.173 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@@H]2CCCC=C12 19595032 NYNRIBXMORSIQA-DYVFJYSZSA-N 318.355 3.419 50 50 DGGA C[C@@H](Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169993810 XOUOUAVGBAZRIS-SNVBAGLBSA-N 311.028 3.442 50 50 DGGA in-vitro O=C(Cc1cc2ccccc2[nH]1)N/N=C/c1c[nH]c2ccccc12 23549914 RGZWIDJLUHQAOP-CIAFOILYSA-N 316.364 3.342 50 50 DGGA CC(C)(C)OC(=O)N/N=C(\Cc1ccccc1)NC1CCC1 66323345 SNDUAWWSXOLLBB-UHFFFAOYSA-N 303.406 3.209 50 50 DGGA COC(=O)C1(CCCCl)CCN(C(=O)OC(C)(C)C)CC1 252489296 JNTYLSIYEBAEEL-UHFFFAOYSA-N 319.829 3.196 50 50 DGGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 20158957 NQCKHAPSABOVAL-LICLKQGHSA-N 317.732 3.402 50 50 DGGA O=C(CCl)N(CCCF)Cc1cccc(OC2CC2)c1F 1875374392 NSTJIGJZUCWURF-UHFFFAOYSA-N 317.763 3.294 50 50 DGGA Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@@H](C)Cl)n1 1875389749 AGBFXRUVUWNHJA-CQSZACIVSA-N 317.820 3.250 50 50 DGGA Cc1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c(C)c1 142454 IOOTWNVADQMPLI-SRZZPIQSSA-N 321.380 3.314 50 50 DGGA COc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccccc1 349860 KUOQCQZGZHRPSY-OQLLNIDSSA-N 324.405 3.467 50 50 DGGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)s1 4962487 WFKLAOMBWOUNCU-OVCLIPMQSA-N 316.411 3.272 50 50 DGGA C[C@H](Cl)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C 1875380007 BXZXMWTYJKUGKH-MNOVXSKESA-N 301.217 3.004 50 50 DGGA Cc1ccc(C(=O)NNC2=NC(C)(C)Cc3ccccc32)cc1 4765145 VYPQMDOGLVLHTC-UHFFFAOYSA-N 307.397 3.011 50 50 DGGA N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)cc1 445550 PUWADSLJBBTGKW-KPKJPENVSA-N 310.284 3.100 50 50 DGGA CCCCCC(=O)NNC(=O)c1[nH]c2ccccc2c1Cl 8855246 PWHHIJBJLZQHAJ-UHFFFAOYSA-N 307.781 3.163 50 50 DGGA [C-]#[N+][C@H](c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 95686572 INJOLCGALKIREA-INIZCTEOSA-N 301.367 3.395 50 50 DGGA C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]2CC[C@H]1C2 252453016 WJZYVSLLOSZEAC-VSYDFDCXSA-N 315.373 3.066 50 50 DGGA CO[Si](CCC(F)(F)C(F)(F)C(F)(F)F)(OC)OC 169806529 SIUOAIYCRNJMLQ-UHFFFAOYSA-N 318.261 3.088 50 50 DGGA C=C[C@@]1(O)COC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C 169835278 AHIUXIZHDUBILC-CZUORRHYSA-N 316.514 3.467 50 50 DGGA Cc1ccccc1C(=O)NNC(=O)c1cccc2ccccc12 299914 AHQMKZONOSYJCI-UHFFFAOYSA-N 304.349 3.223 50 50 DGGA CC(C)N(Cc1ccc(N2CCC[C@@H]2C)nc1)C(=O)[C@@H](C)Cl 1875377396 DHLUUDGVGBGHSN-UONOGXRCSA-N 323.868 3.435 50 50 DGGA Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 381228 MHXIDJHECQNMPU-VCHYOVAHSA-N 302.761 3.178 50 50 DGGA COC(=O)[C@]12C(=O)CCC(C)(C)[C@H]1CC=C[C@H]2O[Si](C)(C)C 169836730 ZAVMTPKEZSVJSP-MRRJBJDNSA-N 324.493 3.331 50 50 DGGA Cc1ccccc1C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 146463 PFQXPZLWMDNJKO-UHFFFAOYSA-N 310.397 3.367 50 50 DGGA C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccc(N)c1 4498026 ZBUNDMLMUOLECO-CIAFOILYSA-N 319.364 3.282 50 50 DGGA C[C@H](N)c1ccccc1P(c1ccccc1)c1ccccc1 100005714 KPFJIPHGQGHIMM-INIZCTEOSA-N 305.361 3.465 50 50 DGGA N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)C(N)=S 101152395 IJOBVYAIOGMLRA-AATRIKPKSA-N 305.712 3.464 50 50 DGGA COC(=O)[C@H](Br)[C@H](Br)c1ccccc1 1687599 XPRVBYSCJOFAFY-RKDXNWHRSA-N 321.996 3.059 50 50 DGGA Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NCc1ccco1 37379 DFAUUTSGBOBKEJ-UKTHLTGXSA-N 305.337 3.293 50 50 DGGA Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1C 1209598 YEAFPHSGIZFQGG-RGVLZGJSSA-N 309.344 3.390 50 50 DGGA COC(=O)c1cccc(Br)c1CBr 35287567 WMILMIDBWBQPAB-UHFFFAOYSA-N 307.969 3.131 50 50 DGGA COCCC[C@@H](CNC(=O)CCl)c1ccc(Cl)cc1 1875377267 BFDONNMJBWDVSV-LBPRGKRZSA-N 304.217 3.205 50 50 DGGA O=C(N/N=C/c1ccc(Br)cc1)c1cccc(F)c1 298641 QCZLRHAAMSHZPM-RQZCQDPDSA-N 321.149 3.352 50 50 DGGA C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccc2ccccc2c1 5296519 GBDHTWDXTCXTAZ-UDWIEESQSA-N 318.380 3.206 50 50 DGGA ClCc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn12 409444213 FVYZHWUKCNIONJ-UHFFFAOYSA-N 311.732 3.185 50 50 DGGA [C-]#[N+][C@@H](c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 95686571 QIJRGVGFTZWYNF-MRXNPFEDSA-N 301.367 3.395 50 50 DGGA CC(C)(C)c1n[nH]cc1/C=N/NC(=O)Nc1cc(F)cc(F)c1 1875252946 NPGKQMCHVDFGJO-UFWORHAWSA-N 321.331 3.141 50 50 DGGA O=C(CCl)N[C@H](COc1ccccc1F)c1ccccc1 1341509571 ILXQGCFGRKTOPO-CQSZACIVSA-N 307.752 3.301 50 50 DGGA CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)OC 6935711 YAJYNQNXGOBFSB-XFFZJAGNSA-N 324.174 3.318 50 50 DGGA CC(C)(C)c1cc(NC(=O)[C@@H](F)Cl)n(-c2ccccn2)n1 1875361912 HTFIOTPYCLRMAS-GFCCVEGCSA-N 310.760 3.038 50 50 DGGA O=C(CCl)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 1875374774 DUZDVRPICBWGSW-LBPRGKRZSA-N 320.845 3.271 50 50 DGGA C[C@@H](Cl)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 1875363656 PPTFMMJWGZJFEV-IUODEOHRSA-N 317.820 3.052 50 50 DGGA Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccccc1 441270 VQICGERPHCCBAE-FYJGNVAPSA-N 318.380 3.253 50 50 DGGA COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1O 445373 TUOCTBHWFLAPRF-RKPNYOAGSA-N 322.364 3.185 50 50 DGGA Cc1occc1C(=O)N/N=C/c1cccc(Br)c1 3011454 IAJKQPOGRBIQME-OVCLIPMQSA-N 307.147 3.114 50 50 DGGA Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CCCl)CC3 27653862 RMKWDBUEXHJPRZ-CQSZACIVSA-N 315.800 3.459 50 50 DGGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 256857 ZZNLXPQRIWTXJT-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1O 433457 SDRVOUQILVWGEY-VCHYOVAHSA-N 318.760 3.208 50 50 DGGA C/[N+](=C1\O[C@H](CCl)CS1)C12CC3CC(CC(C3)C1)C2 23115299 HQMXEDLXXBHMEF-PVSMYOMGSA-N 300.875 3.324 50 50 DGGA Cc1nc2ccc(NC(=O)[C@@H](F)Cl)c(Cl)c2nc1C 2325897751 HCRXDBGZWMUKPG-LLVKDONJSA-N 302.136 3.373 50 50 DGGA O=C(CBr)c1ccc(OC(F)(F)F)c(F)c1 169795965 FMZFAEYQJAWXNW-UHFFFAOYSA-N 301.033 3.302 50 50 DGGA C[C@H](Cl)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 1875377715 LSMMITQOHFMTMZ-XPTSAGLGSA-N 324.211 3.165 50 50 DGGA CCOc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1 434935 AYZSUTXQDSXZBC-FYJGNVAPSA-N 319.364 3.397 50 50 DGGA COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2cccs2)c1 6736057 UHDLLPBVFDBBPM-DHZHZOJOSA-N 314.366 3.311 50 50 DGGA Cc1nc([C@@H](C)NC(=O)CCl)[nH]c1-c1ccc(Cl)cc1 1875375723 NBFJTTXFXVLUKN-SECBINFHSA-N 312.200 3.455 50 50 DGGA COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1O 445375 TUOCTBHWFLAPRF-BVTUPMQUSA-N 322.364 3.185 50 50 DGGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1C[C@H]1c1ccccc1 4949295 ACZSIIISWBUGAE-UQKXMBGOSA-N 303.365 3.422 50 50 DGGA NNC(=O)c1cccc(COc2cccc(Cl)c2Cl)c1 2568641 HEPJUQZLGVNDBL-UHFFFAOYSA-N 311.168 3.176 50 50 DGGA N#C/C(=C\c1c(F)cccc1Cl)C(=O)NCc1cccnc1 12600101 VNIAFGFTRNEATE-KPKJPENVSA-N 315.735 3.097 50 50 DGGA O=C(N/N=C/c1cccnc1)c1ccc(OC2CCCC2)cc1 373046 UJLLOTJLZVZJHT-DEDYPNTBSA-N 309.369 3.167 50 50 DGGA O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1O 4948478 VAZJVBLBYMOKTK-IUXPMGMMSA-N 309.152 3.463 50 50 DGGA Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1 17031285 HXKHEGVFDUPQGT-RIYZIHGNSA-N 306.321 3.269 50 50 DGGA COc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1OC 3576441 JMGONKNPSBOJEX-VCHYOVAHSA-N 318.760 3.121 50 50 DGGA C[C@@H](Cl)C(=O)Nc1ccc(Cl)c(NC(=O)C2CC2)c1 1875367124 LLJNZNBNXSSAIQ-SSDOTTSWSA-N 301.173 3.254 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1 2256981 CAESVTWLMWEQFT-OAHLLOKOSA-N 312.344 3.277 50 50 DGGA COc1ccc(/C(C)=N/NC(=O)[C@]2(C)CC2(Cl)Cl)cc1 17053042 IYWXRXKDGCAOFK-YRUBURHZSA-N 315.200 3.119 50 50 DGGA C[C@H]1C[C@@]2(C)C[C@@H](C(=O)O2)[C@@H]1C(=O)OCCCCCCCl 825426671 YHTZQESDEKCPIF-VLXAULBPSA-N 316.825 3.307 50 50 DGGA O=C(Cl)c1ccc(Cl)cc1I 67794605 JGGMGECIFCNVFV-UHFFFAOYSA-N 300.910 3.324 50 50 DGGA C[C@H](Cl)C(=O)NCCCC1(C2OCCO2)CCCCCC1 1875364118 ISAVBTWZHLOWQS-ZDUSSCGKSA-N 317.857 3.224 50 50 DGGA O=C(CCl)O/N=C/c1c(-c2ccccc2)nc2sccn12 1384882 HCKWNYRQXIQVCO-CXUHLZMHSA-N 319.773 3.179 50 50 DGGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1 93679 POTCWKXLEUUCSD-HWQJWEFDSA-N 302.761 3.258 50 50 DGGA C[C@@H](Cl)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1875363655 PPTFMMJWGZJFEV-DOMZBBRYSA-N 317.820 3.052 50 50 DGGA Cc1cccc(CN(Cc2cccc(C)n2)C(=O)[C@H](C)Cl)n1 1875389748 AGBFXRUVUWNHJA-AWEZNQCLSA-N 317.820 3.250 50 50 DGGA C/C(=N\NC(=O)Cc1cccn1C)c1ccc(Cl)cc1Cl 4937378 JGXCBOXCQSDNHM-VCHYOVAHSA-N 324.211 3.415 50 50 DGGA CCc1nc2cc(CNC(=O)[C@H](C)Cl)ccc2n1C1CC1 1875376122 MSYDCEARHGPPRL-JTQLQIEISA-N 305.809 3.177 50 50 DGGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccco2)cc1 4229880 NEVLBULXEAIVOO-XDHOZWIPSA-N 307.353 3.451 50 50 DGGA COc1ccc(NS(=O)(=O)c2ccc(N=C=S)cc2)cc1 19737290 PHUBRPIFYJHVKW-UHFFFAOYSA-N 320.395 3.230 50 50 DGGA CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)c1 5059078 MUYJXUFGFLMBAC-ZROIWOOFSA-N 308.337 3.337 50 50 DGGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1 2902697 DHZNJKVWICVMKO-UDWIEESQSA-N 323.396 3.207 50 50 DGGA CCOC(=O)c1c(NC(=O)CCl)sc2c1CCCCC2 4174274 BPXRKUOHWSBUQS-UHFFFAOYSA-N 315.822 3.371 50 50 DGGA O=C(COc1ccccc1-c1ccccc1)NNc1ccccn1 181172420 MDGYDJLDZHAFQU-UHFFFAOYSA-N 319.364 3.271 50 50 DGGA FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@H](Cl)C[C@H]1[C@H]2Cl 252430713 GNKANBMIUWGNED-RSJOWCBRSA-N 302.045 3.056 50 50 DGGA Cc1ccc(CNC(=O)[C@H](C)Cl)c(OCc2ccco2)c1 1875364539 UTSKDSHQDNNMJJ-LBPRGKRZSA-N 307.777 3.411 50 50 DGGA CCc1sc(/C=C(/C#N)C(N)=S)cc1Br 43802 OSLHZOCDBRMVQQ-UTCJRWHESA-N 301.234 3.266 50 50 DGGA CC/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(O)cc1 4991832 BDTXTQUDHVCGOB-HNQLTLBLSA-N 308.381 3.426 50 50 DGGA Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1 29764212 JKASRMLOTZKYMA-YVLHZVERSA-N 308.362 3.205 50 50 DGGA O=C(NNc1cccc(F)n1)c1ccc(Cl)cc1Cl 3041611 YEJKNCFKFQEDJV-UHFFFAOYSA-N 300.120 3.284 50 50 DGGA COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1Cl 5049441 CHCXZTRFQSQTFV-UHFFFAOYSA-N 307.689 3.476 50 50 DGGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1Cl 5354160 BYZMOSKYSXKQOY-VCHYOVAHSA-N 316.792 3.096 50 50 DGGA Cc1ccc(NCCCC(=O)N/N=C/c2cccs2)cc1 2996124 GYCNFDJQGXTAHV-LDADJPATSA-N 301.415 3.399 50 50 DGGA O=C(CBr)NC(c1ccccc1)c1ccccc1 41675131 HCYGPROWCVVTHE-UHFFFAOYSA-N 304.187 3.287 50 50 DGGA O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1ccc(O)cc1 45067862 MEEWAZKPXVIEHZ-CYBMUJFWSA-N 320.801 3.370 50 50 DGGA COc1ccc(NCCCC(=O)N/N=C/c2cccs2)cc1 2996157 CHXAFMBQVKSTRL-LDADJPATSA-N 317.414 3.099 50 50 DGGA C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(N)cc1 4567934 OQHUPDDYTKRLQF-CIAFOILYSA-N 319.364 3.282 50 50 DGGA O=C(N[C@H](NCc1ccccc1)C(Cl)Cl)c1ccccc1 4831765 KVSBJGSYFAQXKV-HNNXBMFYSA-N 323.223 3.336 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@@H]2CCCC=C12 19594951 ILUYWILPSKYJNL-DOMZBBRYSA-N 306.394 3.342 50 50 DGGA C[C@@H](Cl)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 1875377714 LSMMITQOHFMTMZ-OTYXRUKQSA-N 324.211 3.165 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1F 241831 YLGODCCHHSQNEA-ANRSDYALSA-N 316.307 3.026 50 50 DGGA CCC(CC)=NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 4703138 XTVBVLULMVBOCM-UHFFFAOYSA-N 316.188 3.224 50 50 DGGA COc1ccc(NC(=O)/C(C#N)=C/c2cccs2)c(OC)c1 6736152 VOWKIWZDAJENCI-DHZHZOJOSA-N 314.366 3.311 50 50 DGGA COC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccc(Cl)c1 20029019 LRQQGACDGYXSEE-ZDUSSCGKSA-N 320.801 3.139 50 50 DGGA O=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100004461 FUCSWGRAIIZMAB-UHFFFAOYSA-N 305.337 3.179 50 50 DGGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccnc2)cc1 4210114 DISYGXOAWKSWLL-FYJGNVAPSA-N 318.380 3.253 50 50 DGGA CC(C)(C)c1n[nH]c2c1[C@H](C1CCCCC1)C(C#N)=C(N)O2 5901610 VCIIUIJOLVCZQU-GFCCVEGCSA-N 300.406 3.457 50 50 DGGA Cc1ccc(N(c2ccc(C)cc2)c2cccc(B(O)O)c2)cc1 1775953837 CISBNIQSSKGQSN-UHFFFAOYSA-N 317.197 3.453 50 50 DGGA C/C(=N\NC(=O)c1oc2ccccc2c1C)c1cc(O)ccc1O 17066383 ATYHZLYJFSPZHZ-YBFXNURJSA-N 324.336 3.306 50 50 DGGA CC(C)[C@H](Cl)OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 263625259 YDHNVKBBEBVOQJ-GFCCVEGCSA-N 319.829 3.398 50 50 DGGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 28161 QMZFBTVDFDKCRV-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA CCC(CC)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 278419 VJQJDUZQRWXLEL-CQSZACIVSA-N 310.353 3.399 50 50 DGGA CC(/C=N/NC(=O)c1cc(-c2ccco2)n[nH]1)=C\c1ccccc1 12362147 GWLHTMXGQVFWON-STHKOIKCSA-N 320.352 3.489 50 50 DGGA CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CN1 202159136 NBYBUNPRAZKBJH-LLVKDONJSA-N 302.491 3.132 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)[C@@H]2CCCC=C12 43629 WZTQQKVOIGWANE-WBVHZDCISA-N 318.355 3.419 50 50 DGGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccccc1[N+](=O)[O-] 4459654 VVQKYEYVSXPZJF-RZMWGWOTSA-N 309.325 3.414 50 50 DGGA CC(C)c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1 8567048 CZNFFIKFAMTAGP-VXLYETTFSA-N 322.368 3.156 50 50 DGGA CCCCCCC[C@@H](O)CCC(=O)N/N=C/c1ccccc1O 100290621 QRANIEIMUAKBLM-NISQSXRWSA-N 320.433 3.344 50 50 DGGA C=CCc1cccc2cc(C(=O)NC3=C(C#N)CCC3)c(=O)oc12 275773 LCGCHLZGCALEQF-UHFFFAOYSA-N 320.348 3.213 50 50 DGGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1 4723675 GUUUYNAWKRRMGI-UVTDQMKNSA-N 308.337 3.337 50 50 DGGA C=CCN1CCC(N(Cc2ccc(CC)o2)C(=O)CCl)CC1 1875381877 KCSNBJBVYAGVNQ-UHFFFAOYSA-N 324.852 3.060 50 50 DGGA Cc1ccccc1C(=O)NNC(=O)c1ccc2ccccc2c1 298924 PLZLECZNFLCRPC-UHFFFAOYSA-N 304.349 3.223 50 50 DGGA CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1CCC2 473893 RJEKQKROUSEQQO-UHFFFAOYSA-N 322.213 3.156 50 50 DGGA O=C(NNC(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 2582179 LOCHUWJMIWIGCV-UHFFFAOYSA-N 323.274 3.172 50 50 DGGA CC(C)c1cc(C(=O)N/N=C/c2ccc(N(C)C)o2)cs1 2743793 SDPJIGJJVGYBGF-LZYBPNLTSA-N 305.403 3.294 50 50 DGGA O=C(CCl)NC1(c2ncc(-c3ccccc3)[nH]2)CCCC1 1875367853 SWEOBQAUBWALAA-UHFFFAOYSA-N 303.793 3.201 50 50 DGGA C[C@H](Cl)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 1875363658 PPTFMMJWGZJFEV-WFASDCNBSA-N 317.820 3.052 50 50 DGGA Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)c([N+](=O)[O-])c1 13496983 WNFFLNGHQAIDAE-JXMROGBWSA-N 313.338 3.356 50 50 DGGA CCOC(=O)/C=C/[C@@H](C)[C@@H](O)CO[Si](C)(C)C(C)(C)C 169835364 DKCWQQGPALFYRB-GBYBRZQVSA-N 302.487 3.125 50 50 DGGA CC(C)(C)OC(=O)n1nc(CBr)c2cccnc21 72188065 QUMSFBCHTYVIHB-UHFFFAOYSA-N 312.167 3.109 50 50 DGGA OCCc1cn(-c2ccc(S(F)(F)(F)(F)F)cc2)nn1 643919581 AUZMAJQAVUGEGS-UHFFFAOYSA-N 315.267 3.460 50 50 DGGA N#Cc1ccc(/C=N\NC(=O)Cc2cccc3c2CCCC3)cc1 43761191 GVFQUMVQAYIATP-HMAPJEAMSA-N 317.392 3.130 50 50 DGGA CO[C@@]12C=C[C@@](CI)(C1)c1ccccc12 45071758 KJOBJOHMFUVCGG-STQMWFEESA-N 312.150 3.175 50 50 DGGA C/C(=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1C[C@H]2CC[C@H]1C2 252452765 ANRXFLOWYGRAPO-WAZWYGCTSA-N 315.373 3.445 50 50 DGGA CCCCc1ccc(OCC(=O)N/N=C/c2ccco2)cc1 3174681 RSHIMEGPIUHILW-LDADJPATSA-N 300.358 3.151 50 50 DGGA COCc1nc(CNC(=O)[C@H](C)Cl)c(-c2ccccc2)s1 1875377830 OWHWGUDQFJVKAS-JTQLQIEISA-N 324.833 3.200 50 50 DGGA O=C(CCl)N(Cc1ccc(F)cc1)C[C@@H]1CCSC1 1875374731 ZJDTYQBBXLKMRU-LBPRGKRZSA-N 301.814 3.146 50 50 DGGA C[C@H]1C[C@@H](N(Cc2cccc(Cl)c2)C(=O)CCl)CCO1 1875382118 RJHKJEJUEAOLFX-FZMZJTMJSA-N 316.228 3.475 50 50 DGGA COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CCCCO1 195996126 RPLZTINCNFPQBI-QWHCGFSZSA-N 318.486 3.093 50 50 DGGA CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2519920 KMEFZAUMOZJDNM-VCHYOVAHSA-N 316.744 3.029 50 50 DGGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@H]1c1cccs1 22781786 AWITZYXKWDRGQO-CYBMUJFWSA-N 304.758 3.325 50 50 DGGA Cc1ccc(NCC(=O)N/N=C\c2cccc(Cl)c2)cc1 32593021 FHWKZCQVYVAASZ-GRSHGNNSSA-N 301.777 3.211 50 50 DGGA CC[C@H](Br)C(=O)Nc1ccc(OC)c(Cl)c1 32919718 XAAOAWXSNWBFFP-QMMMGPOBSA-N 306.587 3.461 50 50 DGGA FC(F)(F)c1cc(Cl)c2nnc(CBr)n2c1 169620380 ZYJONKJSIZOVCA-UHFFFAOYSA-N 314.492 3.296 50 50 DGGA C/C=C1/C[N@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 253390590 ZEMNDQUOMWGCAZ-MZFNONIYSA-O 307.417 3.002 50 50 DGGA biogenic O=C(N/N=C/c1cccc(F)c1)c1cc(-c2cccs2)n[nH]1 5318760 DLHBIJBRXQYICN-RQZCQDPDSA-N 314.345 3.041 50 50 DGGA CCCCCOc1cccc(/C=N/NC(=O)c2cccnc2)c1 6264185 XACPRRBVSOFBHO-DEDYPNTBSA-N 311.385 3.415 50 50 DGGA C=CCSC1=C(C#N)[C@@H](c2ccc(OCC)cc2)CC(=O)N1 8995361 FTQSOXVRBMCMEO-CQSZACIVSA-N 314.410 3.343 50 50 DGGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(F)c2)cc1 299441 LQDRPLNGGPADQR-UHFFFAOYSA-N 314.360 3.198 50 50 DGGA O=C(N/N=C/c1ccccc1F)c1c[nH]nc1-c1cccs1 5297654 TUTZFVOSLRDCBF-CAOOACKPSA-N 314.345 3.041 50 50 DGGA O=C1Oc2ccccc2[C@]1(CBr)c1ccccc1 71770619 BJRWEAGGGHZSKU-HNNXBMFYSA-N 303.155 3.287 50 50 DGGA CC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 19761090 LZIHRECZONMLAK-MRXNPFEDSA-N 309.325 3.086 50 50 DGGA N#C/C(=C\Nc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1 144291 BHBPSXUGXQEBDV-ZRDIBKRKSA-N 304.309 3.238 50 50 DGGA Cc1cccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1 146524 YEDNATXISHFEMG-UHFFFAOYSA-N 310.397 3.367 50 50 DGGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)c(O)c1 282438 DYYSVLVFUSWENK-CPNJWEJPSA-N 311.385 3.002 50 50 DGGA CC(/C=N/NC(=O)c1ccc2[nH]cnc2c1)=C\c1ccccc1 28351835 BEJNDDXCDCGQOG-WKOSEXDDSA-N 304.353 3.382 50 50 DGGA N#CS[C@@H](CS(=O)(=O)c1ccccc1)c1ccccc1 63294 BTGVARUPWYPPJA-HNNXBMFYSA-N 303.408 3.416 50 50 DGGA C/C(=N/NC(=O)c1cccc(Br)c1)c1ccco1 12342904 JRQMCDLBYLUDFN-DHDCSXOGSA-N 307.147 3.196 50 50 DGGA O=C(Cc1cccs1)N/N=C/c1ccc(Br)cc1 13662084 UTMAJYWUFKFXHN-OQLLNIDSSA-N 323.215 3.203 50 50 DGGA C[C@@H](Cl)C(=O)N[C@H](C)c1nnc(-c2cccc(F)c2)s1 1875377631 JFCQRPMSSLRVJG-HTQZYQBOSA-N 313.785 3.149 50 50 DGGA CC(=O)[C@H](Br)[C@H](Br)c1ccccc1 1672798 DQQMRIMUYWACAY-VHSXEESVSA-N 305.997 3.475 50 50 DGGA CCCCc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)s1 2870898 PQDLABHSQUSELB-UHFFFAOYSA-N 316.455 3.309 50 50 DGGA COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)CCl 1875367863 UFEGAWCUBLQCKO-LLVKDONJSA-N 302.201 3.423 50 50 DGGA COc1ccc(Br)cc1C(=O)CBr 2576061 IZFSYSCBZMJEQS-UHFFFAOYSA-N 307.969 3.035 50 50 DGGA C[C@H]1CCCC/C1=N\NC(=O)CCC(=O)Nc1ccccc1 4989882 MGHPFBZCJUTCGY-FDXCNZBMSA-N 301.390 3.088 50 50 DGGA Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccc(F)cc1 229683 ZWXXOYWWQJGRET-RGVLZGJSSA-N 322.343 3.288 50 50 DGGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 4989733 MGUYMZILPFAFRA-YBFXNURJSA-N 322.324 3.230 50 50 DGGA CCOC(=O)/C(C#N)=C1/C(=O)N2c3c(cccc31)C(C)=CC2(C)C 543138 XDCMBFABIGSNDQ-CCEZHUSRSA-N 322.364 3.069 50 50 DGGA CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 3998279 VGYZXMOGHPQOHS-GFCCVEGCSA-N 312.348 3.064 50 50 DGGA C[C@@H](Cl)C(=O)NCCCC1(C2OCCO2)CCCCCC1 1875364115 ISAVBTWZHLOWQS-CYBMUJFWSA-N 317.857 3.224 50 50 DGGA COCCC[C@H](CNC(=O)CCl)c1ccc(Cl)cc1 1875377265 BFDONNMJBWDVSV-GFCCVEGCSA-N 304.217 3.205 50 50 DGGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1 18122526 WENZUGWHODCYQW-DEDYPNTBSA-N 318.380 3.403 50 50 DGGA Cc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1 437395 OSLHHVRVXTYPKG-VCHYOVAHSA-N 302.761 3.178 50 50 DGGA COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSC#N 9939184 JWRZYJXIMYEARL-UHFFFAOYSA-N 302.399 3.438 50 50 DGGA C[C@@H](Br)C(=O)NCc1ccccc1C(F)(F)F 235060170 NEELVCBZGMVYLV-SSDOTTSWSA-N 310.113 3.105 50 50 DGGA COc1ccc2[nH]c(/C(C#N)=C\c3ccc(C(=O)O)cc3)nc2c1 5028257 HVBLHVQUHWPHIO-JYRVWZFOSA-N 319.320 3.334 50 50 DGGA COC(=O)Nc1ccc(S(=O)(=O)Sc2ccccc2)cc1 391059 JSIKOTSTEPQQTK-UHFFFAOYSA-N 323.395 3.346 50 50 DGGA COc1cccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)c1 4170191 OFOSDUNFHCMZRD-UKTHLTGXSA-N 303.321 3.408 50 50 DGGA C[C@H](Cl)C(=O)N[C@H](C)c1nnc(-c2cccc(F)c2)s1 1875377632 JFCQRPMSSLRVJG-JGVFFNPUSA-N 313.785 3.149 50 50 DGGA CC(/C=N/NC(=O)c1cccc([N+](=O)[O-])c1)=C\c1ccccc1 12342811 CJGRKARUBGHXHK-NMQAQMFOSA-N 309.325 3.414 50 50 DGGA CCn1cc([C@@H]2C(C#N)=C(N)Oc3ccc4ccccc4c32)cn1 4745415 IQOHPJKANCPTQH-QGZVFWFLSA-N 316.364 3.274 50 50 DGGA CC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 1672801 DQQMRIMUYWACAY-ZJUUUORDSA-N 305.997 3.475 50 50 DGGA Cc1cc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)[nH]n1 263839 PVJOMOBQDBRTQZ-XDHOZWIPSA-N 320.352 3.274 50 50 DGGA Cc1cccc(OCC(=O)N/N=C\c2cn(C)c3ccccc23)c1 4475456 VNLISOBZAGDFHG-JAIQZWGSSA-N 321.380 3.016 50 50 DGGA Cc1ccsc1/C=N/NC(=O)COc1ccc(Cl)cc1 5005271 VGGBYVGYQFTNNG-LZYBPNLTSA-N 308.790 3.239 50 50 DGGA COc1ccccc1/C=N/NC(=O)c1cc2ccccc2cc1O 338646 CGKWNQONZWPJGY-UDWIEESQSA-N 320.348 3.318 50 50 DGGA O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cccs1 1798613 APNMOOQPFHLKOS-AYRRQIOMSA-N 301.327 3.085 50 50 DGGA O=C(N[C@@H](N=C=S)C(Cl)Cl)c1ccc(Cl)cc1 3109726 BITLAUXPWQBQTO-SECBINFHSA-N 309.605 3.302 50 50 DGGA Cc1cc(C)c(C)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1C 18007164 NKSABLUZRGQUOI-INIZCTEOSA-N 308.385 3.170 50 50 DGGA COC(=O)c1ccccc1P(c1ccccc1)c1ccccc1 116122042 VWTREAQKLNMBGC-UHFFFAOYSA-N 320.328 3.231 50 50 DGGA CC(C)OCCCNC(=O)/C(C#N)=C/c1ccnc2ccccc12 864086670 HUPHUWLJTIMPFY-FOWTUZBSSA-N 323.396 3.073 50 50 DGGA O=C(c1ccccc1)c1c[nH]c(C(=O)NNc2ccccc2)c1 1384777 UGKGHWIBBPZTBN-UHFFFAOYSA-N 305.337 3.003 50 50 DGGA CCc1cc2c(C)cc(=O)oc2cc1OCCBr 19923604 KOAPGKFDEADQML-UHFFFAOYSA-N 311.175 3.438 50 50 DGGA CC[C@H](C(=O)NNc1cnccn1)c1cccc(C(F)(F)F)c1 170656831 ZIHRMBTXTXQUBZ-LBPRGKRZSA-N 324.306 3.132 50 50 DGGA Cc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 2450364 MHUGFDJHJKNQCK-LICLKQGHSA-N 310.382 3.211 50 50 DGGA CN(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1574429 XKOYHHVVJGYROX-UHFFFAOYSA-N 314.341 3.096 50 50 DGGA CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](Br)C1 307026019 IRFLABNYJWMBIT-ZETCQYMHSA-N 300.143 3.026 50 50 DGGA CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccn1 219286 ITLIZALRLPPMES-FYJGNVAPSA-N 319.364 3.397 50 50 DGGA O=C(N/N=C/c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 437111 DNKXFDUGAZYSQS-CAOOACKPSA-N 321.695 3.151 50 50 DGGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@@H]1c1ccc(F)cc1 296341 IXYRGORMADVQNG-HNNXBMFYSA-N 316.719 3.403 50 50 DGGA O=C(CCBr)Nc1ccc(Br)cc1 1638415 ZFUGLAQIZREBFH-UHFFFAOYSA-N 306.985 3.173 50 50 DGGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccco2)c1 510698 XARCVNREHYHFGU-VCHYOVAHSA-N 300.358 3.241 50 50 DGGA CC(/C=N/NC(=O)[C@H]1COc2ccccc2O1)=C\c1ccccc1 4674568 DOCFOYGITMTOMR-PPVRKLBRSA-N 322.364 3.032 50 50 DGGA CCCCCCCC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 2865035 AQYQNXZFQHFXAQ-CVEARBPZSA-N 302.418 3.298 50 50 DGGA O=C(NNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 138914 GUDOMPHVRYYNAB-UHFFFAOYSA-N 322.389 3.490 50 50 DGGA CC(C)(C)c1cc(NC(=O)[C@H](F)Cl)n(-c2ccccn2)n1 1875361913 HTFIOTPYCLRMAS-LBPRGKRZSA-N 310.760 3.038 50 50 DGGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 211941 HZSQCVIQVSEACA-KRWDZBQOSA-N 309.344 3.110 50 50 DGGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2F)cc1 299498 HXNBJDKCWDMAMU-UHFFFAOYSA-N 314.360 3.198 50 50 DGGA Cc1cc(C(=O)N/N=C/c2ccc(F)cc2)c2ccccc2n1 263093 ZXMUPEPEHOVMEM-RGVLZGJSSA-N 307.328 3.446 50 50 DGGA C[C@H](Cl)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 1875377647 JRNMGEMHFGGEEU-NSHDSACASA-N 303.793 3.452 50 50 DGGA COc1ccc(CN(Cc2ccoc2)C(=O)CCl)cc1OC 1875376453 XLBFPQRIHKBOGO-UHFFFAOYSA-N 323.776 3.064 50 50 DGGA CN(C)c1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1 433006 NFVNUCFBIGYJJO-VXLYETTFSA-N 319.767 3.309 50 50 DGGA CCc1cccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)c1 6024736 CDDMQVBGEXMMHE-WOJGMQOQSA-N 324.409 3.465 50 50 DGGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])o1 221261 VMWLVFSXLIBHCC-WOJGMQOQSA-N 323.308 3.034 50 50 DGGA O=C(NN=C1CCCCC1)c1cc(Br)ccc1O 1105180 FHXAZTSYQIZAAG-UHFFFAOYSA-N 311.179 3.205 50 50 DGGA N#C/C(=C\c1cccc(OCC(=O)O)c1)c1nc2ccccc2[nH]1 4725888 BYLRSOGVKFRNSA-MDWZMJQESA-N 319.320 3.090 50 50 DGGA N#Cc1ccc(NNC(=O)c2ccc(F)cc2)c(C(F)(F)F)c1 799747734 HMNKVMWEZFHKCA-UHFFFAOYSA-N 323.249 3.473 50 50 DGGA [C-]#[N+][C@H](c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 95686570 QIJRGVGFTZWYNF-INIZCTEOSA-N 301.367 3.395 50 50 DGGA C/C=C1\C[N@+]2(CC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 252679156 IPBVRFAPNWZMGD-BCWYXBKISA-O 321.444 3.392 50 50 DGGA C[C@H](Cl)C(=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 1875364556 VJPGIIACKGSTLN-WDEREUQCSA-N 312.866 3.355 50 50 DGGA CN(C)c1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 4421428 OYZZCWPTOMESCN-QDRDOIMASA-N 307.397 3.006 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)[C@@H]2CCCC=C12 43630 WZTQQKVOIGWANE-NVXWUHKLSA-N 318.355 3.419 50 50 DGGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 256951 LNLAJAWUBOKSKT-VGOFMYFVSA-N 309.734 3.074 50 50 DGGA C/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(O)cc1 5829574 IPZYMXVYYKPWTQ-XSFVSMFZSA-N 319.364 3.337 50 50 DGGA COc1ccc(CN(CC2CC2)C(=O)[C@H](C)Cl)c(OC)c1 1875377692 KYGNIAYRYKYBGA-NSHDSACASA-N 311.809 3.070 50 50 DGGA O=C(Oc1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 2156334 ZGAFJXTYMUOVHV-UHFFFAOYSA-N 322.660 3.376 50 50 DGGA C[C@H](NC(=O)CCl)c1cccc(OCc2ccccn2)c1 1336909838 GTBFSEMRTLVFLF-LBPRGKRZSA-N 304.777 3.077 50 50 DGGA C[C@@]12CC[C@@H]([C@@H](Br)C1=O)[C@]2(C)CBr 40154 DCDNKSJBRIJYEC-WDQPUEAGSA-N 310.029 3.150 50 50 DGGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccco3)[nH]n2)cc1 181391 UYCBSHYTXQGODF-XDHOZWIPSA-N 322.368 3.386 50 50 DGGA CN(C)C(C/C=N/OCc1ccc(F)cc1Cl)=C(C#N)C#N 5524781 SEOGMYSZECLDNH-CGOBSMCZSA-N 320.755 3.234 50 50 DGGA N#C/C(=C\c1ccc(Cl)s1)C(=O)NCc1cccnc1 6633439 UOYLJSGMLIVPHD-IZZDOVSWSA-N 303.774 3.020 50 50 DGGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1 9184819 LARPKMACZZTYGZ-RQZCQDPDSA-N 304.781 3.125 50 50 DGGA C[C@@H]1C[C@H](N(Cc2cccc(Cl)c2)C(=O)CCl)CCO1 1875382117 RJHKJEJUEAOLFX-BXUZGUMPSA-N 316.228 3.475 50 50 DGGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccs1 232506 LAWJCRBAEJWNMT-VGOFMYFVSA-N 309.734 3.074 50 50 DGGA CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccco2)N1 526075 ZSODHQBFQAGQMY-UHFFFAOYSA-N 323.196 3.290 50 50 DGGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccoc1C 1476805 HMMHMCIALXPRBA-YBFXNURJSA-N 322.368 3.154 50 50 DGGA CC(C)c1cccc(C(C)C)c1OCc1ccccc1B(O)O 169903642 HPQFMTHWDXHLCU-UHFFFAOYSA-N 312.218 3.192 50 50 DGGA in-vitro Cc1cc(Br)cc2cc(CNC(=O)CCl)[nH]c12 1875368097 PJDRWLXETWNGQB-UHFFFAOYSA-N 315.598 3.094 50 50 DGGA C[C@H](Cl)C(=O)NCc1cc(Oc2cccc(F)c2)ccn1 1875364908 XYQNNLQXFAMZIS-JTQLQIEISA-N 308.740 3.257 50 50 DGGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(Cl)c(Cl)c1 58310 MFLLAOQJDYVHGO-UHFFFAOYSA-N 323.208 3.212 50 50 DGGA Cc1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1C 58695 CXLCCNFZROUTCZ-SRZZPIQSSA-N 321.380 3.314 50 50 DGGA O=C(CCl)NCc1ccc(-c2ccc3c(c2)CCO3)cc1 1116437621 KJKYVSMNILQPKJ-UHFFFAOYSA-N 301.773 3.144 50 50 DGGA N#CSc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 4539402 QEHLHNXRJPSAJY-UHFFFAOYSA-N 312.350 3.283 50 50 DGGA CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4859557 HPPCHEBOSLGNRL-XFXZXTDPSA-N 312.281 3.325 50 50 DGGA O=C(NNC(=O)c1ccc2ccccc2c1)NC1CCCCC1 20534097 MSUURXGCTMFAKA-UHFFFAOYSA-N 311.385 3.117 50 50 DGGA CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccc(C)cc2)cc1 218486 IAJQZXPXIHJYJT-DEDYPNTBSA-N 309.369 3.107 50 50 DGGA Cc1ccccc1NC(=O)NNC(=O)Nc1c(C)cccc1C 2167453 NXAFFHMYEDFICV-UHFFFAOYSA-N 312.373 3.470 50 50 DGGA O=C([C@@H](F)Cl)N1CCN(Cc2cccc3ccccc23)CC1 1875329014 YOWXVMJFFVQMHJ-MRXNPFEDSA-N 320.795 3.018 50 50 DGGA Nc1ccccc1C(=O)N/N=C/c1c(Cl)cccc1Cl 45735 OYZSXJIMBMLZON-QGMBQPNBSA-N 308.168 3.340 50 50 DGGA C=CCOc1ccccc1/C=N/NC(=O)COc1cccc(C)c1 4372708 PZYVLDUDXGGFPB-DEDYPNTBSA-N 324.380 3.089 50 50 DGGA Cc1ccc(Cn2cc(/C=C(\C#N)C(N)=O)c3ccccc32)cc1 17053285 OFNXNDIWIZQTKS-MHWRWJLKSA-N 315.376 3.390 50 50 DGGA O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)[C@H](F)Cl 2325898166 VTIZSQSABASBEA-NSHDSACASA-N 304.774 3.053 50 50 DGGA O=C(CCBr)NC(=O)Oc1cccc2ccccc12 1638420 JGXUSBQBRKEIHG-UHFFFAOYSA-N 322.158 3.240 50 50 DGGA N#Cc1ccc(NNC(=O)c2ccc(C(F)(F)F)cc2)cc1 155328093 NORFBRDVCMJMLU-UHFFFAOYSA-N 305.259 3.334 50 50 DGGA Cc1ccccc1C(=O)NNC(=O)Cc1cccc2ccccc12 299119 JHJJQTIDFKNBAI-UHFFFAOYSA-N 318.376 3.152 50 50 DGGA COc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1O 32609432 SJJZEXPPNDEEHF-NDENLUEZSA-N 320.348 3.318 50 50 DGGA COc1ccccc1-c1noc([C@@]2(C)C[C@@H]2Br)n1 952876907 HTGMSNQBVANARA-GWCFXTLKSA-N 309.163 3.170 50 50 DGGA O=C(CCl)Nc1ccc(N2CCCCC2)c2cccnc12 1875375190 ULOLTKLGWYTWEK-UHFFFAOYSA-N 303.793 3.402 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1F 241825 YLGODCCHHSQNEA-GLEZIHRCSA-N 316.307 3.026 50 50 DGGA C[C@@H](C=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 170162016 RRMPJLZPEZKPND-INIZCTEOSA-N 312.485 3.150 50 50 DGGA C[C@H](Cl)C(=O)N[C@@H](C)c1nnc(-c2cccc(F)c2)s1 1875377634 JFCQRPMSSLRVJG-YUMQZZPRSA-N 313.785 3.149 50 50 DGGA C[C@H](Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169993813 XOUOUAVGBAZRIS-JTQLQIEISA-N 311.028 3.442 50 50 DGGA in-vitro CC(C)(C)C(I)I 100137060 WETJKCOBPFKLBI-UHFFFAOYSA-N 323.943 3.229 50 50 DGGA O=C(NNC(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1 283340 FKGDCMGICYNYEM-UHFFFAOYSA-N 324.167 3.460 50 50 DGGA N#C/C(=C\c1cc(Cl)ccc1O)C(=O)NC1CCCCC1 442096 XWDNFRBQQGDYRE-XYOKQWHBSA-N 304.777 3.401 50 50 DGGA Cc1cc(C)cc(NC(=S)NNC(=O)c2ccsc2C)c1 6571462 JWBAHUWRFYPMCV-UHFFFAOYSA-N 319.455 3.305 50 50 DGGA Cc1nn(C)c(C)c1CN(C(=O)CCl)[C@@H]1CCCC[C@H]1C 1875382399 ZPGNUOUXEZFLTN-IAQYHMDHSA-N 311.857 3.183 50 50 DGGA C[C@H]1C[C@@H](C)C[C@H](C(=O)NCCSSCCC(=O)O)C1 1875388958 WPGNSSAJAFHQNL-GDNZZTSVSA-N 319.492 3.031 50 50 DGGA C[C@H]1C/C(=N\NC(=O)Cc2ccncc2)c2ccsc2S1 1875262078 ATZYJQLRDPCDAY-DLPJZNJTSA-N 317.439 3.090 50 50 DGGA C=CCNC(=S)P(=O)(c1ccccc1)c1ccccc1 1874248 ZKVSXNBFUVMSNQ-UHFFFAOYSA-N 301.351 3.061 50 50 DGGA COc1ccc(CC(=O)C(C#N)=C2Nc3ccccc3N2)cc1 5687023 XLHGSWBOHWQWOA-UHFFFAOYSA-N 305.337 3.080 50 50 DGGA N#Cc1ccc(NNC(=O)c2ccccc2F)c(C(F)(F)F)c1 799751249 LKRSFCKABDZGGP-UHFFFAOYSA-N 323.249 3.473 50 50 DGGA O=C(N/N=C/c1ccccc1F)c1cccc(Br)c1 255033 VMTSXWQAMMCPFF-RQZCQDPDSA-N 321.149 3.352 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccs1 77712 XQLJKVUBWFWJHH-ZDUSSCGKSA-N 322.345 3.073 50 50 DGGA biogenic,in-vitro C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 241583 DPXQPJGRELQYPM-BJOHPYRUSA-N 314.772 3.401 50 50 DGGA Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)o1 437694 IMTCSXKPKAJJPE-LBFZPMSMSA-N 306.749 3.159 50 50 DGGA O=C(N/N=C\c1c[nH]nc1-c1ccccc1)Nc1ccccc1 107278973 DTXPSQXGKSITCA-UNOMPAQXSA-N 305.341 3.232 50 50 DGGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(C(C)C)n[nH]1 54066 VVEICXNDNACDJQ-GIJQJNRQSA-N 309.373 3.087 50 50 DGGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C1[C@H]2CCCC[C@H]12 100003543 HQRKGHHCRAFOST-MXFINWHRSA-N 321.764 3.135 50 50 DGGA BrCC(CBr)OCc1ccccc1 114743246 HVELAOQZAFXLRD-UHFFFAOYSA-N 308.013 3.362 50 50 DGGA Cc1nn(C)c(C)c1CN(C(=O)CCl)[C@H]1CCCC[C@@H]1C 1875382400 ZPGNUOUXEZFLTN-NHYWBVRUSA-N 311.857 3.183 50 50 DGGA CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(C)cc1 438403 NOYAXVAWVFPTCQ-XDHOZWIPSA-N 312.369 3.166 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1 5296971 KLLJFSMDAWYCLK-GZTJUZNOSA-N 310.382 3.292 50 50 DGGA C=CCOc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1 4372919 PMQXLYFZXVUVTE-DEDYPNTBSA-N 324.380 3.089 50 50 DGGA COc1ccc(S(=O)(=O)C[C@@H](Cl)c2ccccc2)cc1 246293 VPZCQBGYVSIRAB-OAHLLOKOSA-N 310.802 3.449 50 50 DGGA CC1(C)OB(c2cc(F)ccc2CBr)OC1(C)C 169746272 YAYDJVPPMDALER-UHFFFAOYSA-N 314.991 3.020 50 50 DGGA O=S(=O)(c1ccc(N=C=S)cc1)N1CCc2ccccc21 17053903 QDJAXTIEEMHTMF-UHFFFAOYSA-N 316.407 3.172 50 50 DGGA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(N=C=S)cc1 19737330 BBEKMHRPEGEBBA-CYBMUJFWSA-N 310.444 3.374 50 50 DGGA COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 66796 DKIRZUDRSLZVFW-MRXNPFEDSA-N 324.380 3.146 50 50 DGGA C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCl 1875303374 RAUUCRMDIZVZBN-SECBINFHSA-N 304.699 3.185 50 50 DGGA O=C(N/N=C/C=C/c1ccco1)c1cc(-c2cccs2)n[nH]1 2454399 DWQGXBJMAFFYLZ-VXSKJCINSA-N 312.354 3.160 50 50 DGGA CN(C)c1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1 100698548 IRWRWTCTSDPRSA-UHFFFAOYSA-N 321.360 3.392 50 50 DGGA COc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1OC 2379701 POSOTBPYTGBLMJ-YKIVCEQRSA-N 310.353 3.133 50 50 DGGA CC1(C)CCC2=C(C1=O)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 408246 LMPZPIZHBIEQBK-CQSZACIVSA-N 312.344 3.277 50 50 DGGA O=c1cc(CCl)nc(Cc2c(Cl)cccc2Cl)[nH]1 5177860 SGBJDXQVWTUNJO-UHFFFAOYSA-N 303.576 3.406 50 50 DGGA CCOc1cccc(/C=N/NC(=O)c2c[nH]c3ccccc23)c1O 436910 UUESRLNWPAJMLQ-KEBDBYFISA-N 323.352 3.036 50 50 DGGA C[C@@H](Cl)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 1875363794 AIOKMJKRSYFHCV-YGRLFVJLSA-N 324.211 3.305 50 50 DGGA CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)s1 43743 CLKCZZKCUGUGMO-CQSZACIVSA-N 300.383 3.125 50 50 DGGA O=C(Cc1ccccc1)N/N=C/c1c(O)ccc2ccccc12 9355 RYDNMKPRFMVSEJ-DEDYPNTBSA-N 304.349 3.238 50 50 DGGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(O)cc1 59152 VYYBSUGUMVAKQY-DEDYPNTBSA-N 304.349 3.238 50 50 DGGA O=C(c1ccccc1)N(CCBr)C1=NCCCCC1 25328866 WKWQTTUJTQRGMN-UHFFFAOYSA-N 323.234 3.496 50 50 DGGA CCN(CCNC(=O)CCl)Cc1cc(Cl)cc(Cl)c1 1875384466 QCASOPIHQHGQTN-UHFFFAOYSA-N 323.651 3.170 50 50 DGGA CC(C)(C)OC(=O)NNC(=S)Nc1ccc(F)c(Cl)c1 2858613 DQQPTWLFBMBHDS-UHFFFAOYSA-N 319.789 3.205 50 50 DGGA O=C(NNc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 4583057 PBRPMIPHIBVDEE-UHFFFAOYSA-N 306.709 3.397 50 50 DGGA C[C@H](Cl)C(=O)NCCc1nc(C2CCCCC2)cs1 1875363526 HKDBUKPYDWQBEU-JTQLQIEISA-N 300.855 3.477 50 50 DGGA CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 445436 RTYONPLJMJBKGA-SDNWHVSQSA-N 309.344 3.437 50 50 DGGA Cc1cc(Br)ccc1NC(=O)CBr 5750034 SDGIGHAMXMUCHR-UHFFFAOYSA-N 306.985 3.091 50 50 DGGA C[C@H](CC(=O)NNc1cnccn1)c1ccccc1C(F)(F)F 170644247 LJFSXHRAQPEVIF-SNVBAGLBSA-N 324.306 3.132 50 50 DGGA O=C(CCl)N(Cc1ccc(F)cc1)C[C@H]1CCSC1 1875374730 ZJDTYQBBXLKMRU-GFCCVEGCSA-N 301.814 3.146 50 50 DGGA CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O)c2C)cc1 3305436 GHLHRFMRFPOJLT-XNTDXEJSSA-N 310.353 3.484 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](Cc2ccccc2)[C@@H]2CCCC=C12 34954482 HRQWKVGNQJFVMP-SJLPKXTDSA-N 314.392 3.355 50 50 DGGA Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C(=O)O)cs2)cc1 222323428 XIJJMQHDHYWNAJ-WDZFZDKYSA-N 312.350 3.300 50 50 DGGA COc1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1 254152 ZQNUMMUFHGNMNO-UDWIEESQSA-N 319.364 3.316 50 50 DGGA COc1ccccc1/C=N/NC(=O)c1ccc2ccccc2n1 244833 QOZHEZSXWMPEKQ-XDHOZWIPSA-N 305.337 3.007 50 50 DGGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccccc1O 261352 PFZHQJWPGXEZIG-UDWIEESQSA-N 320.348 3.075 50 50 DGGA NNC(=O)c1cc2oc(-c3cccc(C(F)(F)F)c3)cc2[nH]1 2531973 AVXAZSYACHKMAH-UHFFFAOYSA-N 309.247 3.050 50 50 DGGA C[C@@]12C[C@H]3C[C@@](CC(=O)O)(C1)C[C@@]([C@@H](Cl)C(=O)O)(C3)C2 148577494 KNKXDTNNKGZUSK-AUSFTTLPSA-N 300.782 3.130 50 50 DGGA Cc1ccccc1NC(=S)NNC(=O)c1csc(C)c1C 6268435 KMSQUOFFVRIASS-UHFFFAOYSA-N 319.455 3.305 50 50 DGGA CC1=C(C#N)[C@@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 19762464 BOOBTXHQTVGBII-GOSISDBHSA-N 307.397 3.244 50 50 DGGA COc1ccc([C@H]2C[C@H]2C(=O)NC(C#N)=C(Cl)Cl)cc1 1857799043 LGQPCEQSNVFPEY-GHMZBOCLSA-N 311.168 3.085 50 50 DGGA BrCCOc1ccc(OCCBr)cc1 1646471 ATALLSGKFZVRKF-UHFFFAOYSA-N 324.012 3.234 50 50 DGGA in-vitro COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1O 43328 KKHXSNWYFBOJBJ-UDWIEESQSA-N 320.348 3.318 50 50 DGGA Cc1ccc(O[C@H](C)C(=O)N/N=C2\CCOc3ccccc32)cc1 34403850 BVSHXAXGZHYPOE-SYLQMPFCSA-N 324.380 3.065 50 50 DGGA COc1ccc(/C=N\NC(=O)Cc2cccc3c2CCCC3)cc1 43761203 RYEPLDIICAXBOY-STZFKDTASA-N 322.408 3.267 50 50 DGGA CCOC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CCCC2 3269828 OVWGQECBFPPPKW-MRVPVSSYSA-N 315.822 3.369 50 50 DGGA COc1ccc(/C(C)=N/NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 17053038 IYWXRXKDGCAOFK-LFMVTYOGSA-N 315.200 3.119 50 50 DGGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccc2[nH]cnc2c1 536378 HHJZOAHHBRSDPR-IFRROFPPSA-N 316.723 3.119 50 50 DGGA CSc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 125085 YONPKDUJLBXBAJ-MHWRWJLKSA-N 315.354 3.081 50 50 DGGA O=C(CNc1ccc(Cl)c(Cl)c1)N/N=C/c1ccco1 2754581 NNAHYAFQFWJQSG-REZTVBANSA-N 312.156 3.149 50 50 DGGA CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccs2)C(C#N)=C(N)O1 36794 PKLFFEFPPILVCW-CYBMUJFWSA-N 318.398 3.171 50 50 DGGA O=C(NNc1nccnc1Cl)[C@H]1C[C@@H]1c1ccccc1Cl 114897072 KHMQFAGROLTOLA-ZJUUUORDSA-N 323.183 3.030 50 50 DGGA O=C(N/N=C/c1ccc(Br)cc1)c1ccc(F)cc1 283371 RDWHVIYABJDEJJ-RQZCQDPDSA-N 321.149 3.352 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(F)c1 242157 IMAUWRVOYVMXJI-GLEZIHRCSA-N 316.307 3.026 50 50 DGGA COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 26594 CBMJBNCXWAAMBS-MRXNPFEDSA-N 324.380 3.146 50 50 DGGA N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(N)=O 101282 WAWLYLJHUAWPFX-JXMROGBWSA-N 306.243 3.358 50 50 DGGA CSc1nc(N(C)NC(=O)c2ccccc2)c2ccccc2n1 1392678 AGBKMFKURBPURW-UHFFFAOYSA-N 324.409 3.133 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@H]2CCCC=C12 19594950 ILUYWILPSKYJNL-WFASDCNBSA-N 306.394 3.342 50 50 DGGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@H]2CCCC[C@H]21 245231666 HQRKGHHCRAFOST-AXYDWPMFSA-N 321.764 3.135 50 50 DGGA Cc1cc(NC(=O)CBr)ccc1Br 5749919 QXOXFFMJODGJDV-UHFFFAOYSA-N 306.985 3.091 50 50 DGGA COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CC[C@@H](C)C2 74941392 POEFOJDJXQSYKX-HTQZYQBOSA-N 315.822 3.225 50 50 DGGA COc1ccccc1/C=C/C=N/NC(=O)c1ccc2[nH]cnc2c1 13496641 RGPVNUXCBJFUFI-RQVUTRMESA-N 320.352 3.001 50 50 DGGA CC1(C)OB(c2ccc(F)c(CBr)c2)OC1(C)C 170008905 BQOMTZAOMQFSJP-UHFFFAOYSA-N 314.991 3.020 50 50 DGGA in-vitro Cc1ccccc1NCC(=O)N/N=C/c1ccc(Cl)cc1 223321 OGHIIPXCXDAFRC-VXLYETTFSA-N 301.777 3.211 50 50 DGGA O=[N+]([O-])c1cccc(CC(Br)Br)c1 2173784 ZGDOHDHTAYMTSU-UHFFFAOYSA-N 308.957 3.253 50 50 DGGA COc1ccc(/C=C/C(=C(\C#N)C(N)=C(C#N)C#N)C2CC2)cc1 3001726 SGUNSHOAOYNRIG-YSKFLCQSSA-N 316.364 3.199 50 50 DGGA O=C(N/N=C/c1ccccc1O)C12CC3C[C@H](CC[C@@H](C3)C1)C2 100469238 PHYPQNLAVSJGAL-UNZPKTGASA-N 312.413 3.449 50 50 DGGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 47842 NPVYWURTMAFNIP-CQSZACIVSA-N 300.745 3.155 50 50 DGGA N#CSc1ccc(Nc2c([N+](=O)[O-])ccc3nonc23)cc1 3904284 OZLPWUMIQIXQTO-UHFFFAOYSA-N 313.298 3.448 50 50 DGGA COC(=O)NNC(=O)N1c2ccccc2Sc2ccccc21 2885334 HNIKMQATULUHFM-UHFFFAOYSA-N 315.354 3.270 50 50 DGGA O=[N+]([O-])c1ccc(CC(Br)Br)cc1 3121784 DBLSJTMIQZSBNI-UHFFFAOYSA-N 308.957 3.253 50 50 DGGA Cn1cccc1CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 4899374 VFHXRCQZKCIGLO-RQZCQDPDSA-N 310.184 3.025 50 50 DGGA C[C@@H](Cl)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 1875377943 RWSFCYPKQILHCH-NXEZZACHSA-N 320.742 3.028 50 50 DGGA Cc1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 371126 QRXUIRWSKGSSPT-UHFFFAOYSA-N 303.749 3.115 50 50 DGGA C/C=C1/C[N@+]2(CC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14 252441151 IPBVRFAPNWZMGD-MSTHSCMXSA-O 321.444 3.392 50 50 DGGA biogenic C[C@H](NC(=O)[C@@H](C)Cl)c1nnc(-c2cccc(F)c2)s1 1875377633 JFCQRPMSSLRVJG-SFYZADRCSA-N 313.785 3.149 50 50 DGGA CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1O 559847 XYQJFXXLLCVTFT-VCHYOVAHSA-N 318.760 3.208 50 50 DGGA Cc1cc2c(cc1O)CCC/C2=N\NC(=O)c1cccc(F)c1 19202133 VOQNOVXOIADBON-CAPFRKAQSA-N 312.344 3.310 50 50 DGGA COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1Cl 298603 JJKQVRPMYPBUJL-WOJGMQOQSA-N 302.761 3.041 50 50 DGGA Cc1[nH]nc2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 4494712 MYJZRAZFVXGFHU-INIZCTEOSA-N 302.337 3.090 50 50 DGGA C[C@H](Cl)C(=O)Nc1ccc(Cc2nc(C3CC3)no2)cc1 1875375985 LCWAQYUYWLODEY-VIFPVBQESA-N 305.765 3.104 50 50 DGGA BrCc1ccc2ccc(Br)nc2n1 215665662 CDKHAEXJNZDVMC-UHFFFAOYSA-N 301.969 3.287 50 50 DGGA Cc1scc(C(=O)NN=C2CC(C)(C)NC(C)(C)C2)c1C 5697391 LWYMGVIXXUWXTE-UHFFFAOYSA-N 307.463 3.391 50 50 DGGA CC(C)CCn1nc(CNC(=O)[C@@H](C)Cl)c2ccccc21 1875380448 PDNUOBDDCHKHGL-GFCCVEGCSA-N 307.825 3.326 50 50 DGGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)Cc1ccccc1 4616120 XSPJNEZUSFANFX-BSNOEWQHSA-N 322.364 3.163 50 50 DGGA C[C@]1(CBr)[C@@H]2CC[C@@]1(C)C(=O)[C@H]2Br 3118411 DCDNKSJBRIJYEC-KKHAAJSZSA-N 310.029 3.150 50 50 DGGA Cc1cccc(I)c1CBr 96032773 FFPITQVOPZVACN-UHFFFAOYSA-N 310.960 3.495 50 50 DGGA in-vitro Nc1nc(CCl)nc(Nc2ccc(Cl)cc2Cl)n1 85389075 BIHFBSZITBYJPS-UHFFFAOYSA-N 304.568 3.243 50 50 DGGA O=C(NNC(=O)c1ccccc1Cl)c1cccc(Cl)c1 112723 GJAZZGUEOUMTOW-UHFFFAOYSA-N 309.152 3.068 50 50 DGGA C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)OC(C)(C)C 100382354 XGHXMTOKPNVPHL-VCHYOVAHSA-N 309.341 3.055 50 50 DGGA Cc1cc2ncn(C[C@@H](NC(=O)[C@@H](C)Cl)C3CC3)c2cc1C 1875364049 AWZJXYJMAJILGG-IUODEOHRSA-N 319.836 3.175 50 50 DGGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(C2CC2)n[nH]1 381619 DNSOWGSPSUNSSO-REZTVBANSA-N 323.183 3.358 50 50 DGGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)s1 5051897 GRTCREZSSTVRAU-LLVKDONJSA-N 314.414 3.295 50 50 DGGA Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 32562735 HHYQSCGLSKGIGX-LBPRGKRZSA-N 321.167 3.243 50 50 DGGA O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1 43968050 UYRPRYSDOVYCOU-UHFFFAOYSA-N 306.301 3.143 50 50 DGGA in-vitro O=C(NNc1nccnc1Cl)[C@@H]1C[C@@H]1c1ccccc1Cl 114897076 KHMQFAGROLTOLA-NXEZZACHSA-N 323.183 3.030 50 50 DGGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 47841 NPVYWURTMAFNIP-AWEZNQCLSA-N 300.745 3.155 50 50 DGGA CCCc1n[nH]c2c1[C@H](/C(C)=C/c1ccco1)C(C#N)=C(N)O2 608764 KWKAUFKSGBZZJB-QSYFUGGGSA-N 310.357 3.229 50 50 DGGA CO[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1 438205 JMKZRUSTJNLCSU-CLXYIWAZSA-N 302.761 3.178 50 50 DGGA O=[P@@]1(c2cc(O)ccc2O)Oc2ccccc2-c2ccccc21 100014238 KMRIWYPVRWEWRG-HSZRJFAPSA-N 324.272 3.386 50 50 DGGA in-vitro O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 55230 GTIHNJQJCXGOKA-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA CC/C(=N\NC(=O)c1ccccc1Cl)c1cc(O)ccc1O 13321744 BSNMEXIZWFSVHO-NBVRZTHBSA-N 318.760 3.295 50 50 DGGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(O)cc1 65430 GNJYYNVGJOTKMY-CAOOACKPSA-N 309.152 3.463 50 50 DGGA Cc1nc([C@H](C)NC(=O)CCl)[nH]c1-c1ccc(Cl)cc1 1875375724 NBFJTTXFXVLUKN-VIFPVBQESA-N 312.200 3.455 50 50 DGGA COc1ccc([C@@H]2CCN(C(=O)[C@@H](F)Cl)[C@H]2C)cc1F 2325898026 PWMRRPHAPNLGTF-IYYTYJHQSA-N 303.736 3.073 50 50 DGGA CCOC(=O)c1c(NC(=O)CCCl)sc2c1CCCC2 2230278 NMBJUGPPCJLPQS-UHFFFAOYSA-N 315.822 3.371 50 50 DGGA Cc1cc(C(=O)N/N=C/c2ccccc2Br)c(C)o1 228292 RMUHXGBRFKKPBF-LZYBPNLTSA-N 321.174 3.423 50 50 DGGA CC(C)Oc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1 2792921 INOWYEXYBRZBON-UHFFFAOYSA-N 321.380 3.293 50 50 DGGA N#CC1=C(N)Oc2ccc3ccc(O)cc3c2[C@@H]1c1cccnc1 63153 FAIGEWPEIQXEAW-QGZVFWFLSA-N 315.332 3.159 50 50 DGGA CC(/C=C/c1ccco1)=N\NC(=O)COc1cc(C)cc(C)c1 4955628 KBSJBLBFBXJYAZ-VDCZPCNBSA-N 312.369 3.481 50 50 DGGA C=C[Si]1(C)O[Si](C)(C)O[Si](C)(C=C)O[Si](C)(C)O1 197321575 ILQUGRADIZVVJF-UHFFFAOYSA-N 320.642 3.064 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c[nH]c2ccccc12 207680 PSHTWQGAPIQDBV-BMLIUANNSA-N 319.364 3.229 50 50 DGGA CCCN1CCC(=NNC(=O)c2cccc3ccccc23)CC1 4611190 QIYZCTDVLSNNCA-UHFFFAOYSA-N 309.413 3.431 50 50 DGGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 232470 UETMQMSWPHABIQ-VGOFMYFVSA-N 309.734 3.074 50 50 DGGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(C)cc1 4366474 OIHALSJBQDOHJI-DEDYPNTBSA-N 324.380 3.089 50 50 DGGA O=C(CCl)NCc1ccccc1COCc1ccccc1 241124346 JHNGQPJHCMWOFB-UHFFFAOYSA-N 303.789 3.258 50 50 DGGA Cc1c(N(Cc2cc(Cl)cs2)C(=O)CCl)cnn1C 1875374491 SURSFWVKXLBLIM-UHFFFAOYSA-N 318.229 3.215 50 50 DGGA C[C@@H](Cl)C(=O)NCCc1nc(C2CCCCC2)cs1 1875363527 HKDBUKPYDWQBEU-SNVBAGLBSA-N 300.855 3.477 50 50 DGGA O=C(Cc1cccs1)N/N=C/c1ccc(C(F)(F)F)cc1 520336 OOHJUVDWAPMZQR-GIJQJNRQSA-N 312.316 3.460 50 50 DGGA CC(C)c1ccc(/C=N/NC(=O)c2ccc3nc[nH]c3c2)cc1 535534 QEBTWYOPZOGTDQ-UFFVCSGVSA-N 306.369 3.450 50 50 DGGA Cc1ccc(S(=O)(=O)NO[Si](C)(C)C(C)(C)C)cc1 169996756 XWGSCRBSSWZLBD-UHFFFAOYSA-N 301.484 3.210 50 50 DGGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cccs1 520400 GEOKWWCFLRYGQT-WOJGMQOQSA-N 324.409 3.315 50 50 DGGA COc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1OC 1457969 JTGXLQFWLUJUKF-VCHYOVAHSA-N 318.760 3.121 50 50 DGGA Cc1cccc(NC(=S)NNC(=O)c2csc(C)c2C)c1 374936 UBQVXEYTGYLWPG-UHFFFAOYSA-N 319.455 3.305 50 50 DGGA O=C(Cc1cccs1)N/N=C/c1c(O)ccc2ccccc12 550465 FYAPLDSSMADEMT-WOJGMQOQSA-N 310.378 3.300 50 50 DGGA COc1ccc(NCCCC(=O)N/N=C/c2ccccc2)cc1 2996071 WBWSLYVCXKCHIX-XSFVSMFZSA-N 311.385 3.038 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@@H]2CCCC=C12 19287790 GLTPZAGLCSGAKP-WBVHZDCISA-N 300.365 3.280 50 50 DGGA Cc1ccc(CN(C(=O)CCl)[C@@H](C)c2cnn(C)c2)c(C)c1 1875382058 PGLLMIHWKVFKMM-AWEZNQCLSA-N 319.836 3.366 50 50 DGGA N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(O)c2ccccc2n1 3899754 XGYAMPGNUJRVLX-FMIVXFBMSA-N 318.292 3.308 50 50 DGGA Cc1cc2ncn(C[C@H](NC(=O)[C@@H](C)Cl)C3CC3)c2cc1C 1875364048 AWZJXYJMAJILGG-DOMZBBRYSA-N 319.836 3.175 50 50 DGGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc2ccccc12 292555 ONOUYGNVKVSARM-LICLKQGHSA-N 309.281 3.105 50 50 DGGA N#C/C(=C\c1cccs1)c1nn(-c2ccccc2)c(N)c1C#N 4719283 JMODGIGNKPVJGP-FMIVXFBMSA-N 317.377 3.452 50 50 DGGA CC[C@H](Br)C(=O)NCCc1ccc(Cl)cc1 32919945 JNMRCPQSIPYFNI-NSHDSACASA-N 304.615 3.172 50 50 DGGA O=C(N/N=C/c1ccccc1Cl)c1ccc(Cl)cc1O 273703 SLLAWURXXFELHY-CAOOACKPSA-N 309.152 3.463 50 50 DGGA O=C(N/N=C1/C(O)=Nc2ccc(Cl)cc21)c1cccs1 5636019 PLMMNHUKTUVPFC-UHFFFAOYSA-N 305.746 3.137 50 50 DGGA O=C(N[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1)[C@@H](F)Cl 2325898747 YGVYWITURPBKBY-FRRDWIJNSA-N 303.736 3.166 50 50 DGGA C[C@@H](Cl)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 1875363856 BSPPXYLRHRALEQ-GFCCVEGCSA-N 306.793 3.360 50 50 DGGA CCc1ccc(-c2cc(C(=O)NN)c3cc(C)ccc3n2)cc1 5985200 JUERZKUNGIXAHA-UHFFFAOYSA-N 305.381 3.376 50 50 DGGA CC(/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)=C\c1ccccc1 32565787 CLQXTDCAKCALTR-FHPPUIMOSA-N 309.325 3.414 50 50 DGGA O=[N+]([O-])c1ccc(CBr)c(CBr)c1 100021101 MZEFZKJSWNPTPL-UHFFFAOYSA-N 308.957 3.385 50 50 DGGA CN(CCc1cnccn1)Cc1ccc(OCCCCl)cc1 225422763 WMWNXASPKYOCTB-UHFFFAOYSA-N 319.836 3.159 50 50 DGGA O=C(N[C@@H](N=C=S)C(Cl)(Cl)Cl)c1ccccc1 4530596 OIIOTWBSMBDBQM-SECBINFHSA-N 309.605 3.216 50 50 DGGA O=C(NCCCCCBr)OCc1ccccc1 44126338 HYVGOGJCUXKVPW-UHFFFAOYSA-N 300.196 3.478 50 50 DGGA CC(/C=N/NC(=O)Cn1cnc2ccccc21)=C\c1ccccc1 13496222 POAAROIRKSJBID-BLXLCHOJSA-N 318.380 3.242 50 50 DGGA COC(=O)c1c(Br)cccc1CBr 89157238 XZFYOUAJBCRNCF-UHFFFAOYSA-N 307.969 3.131 50 50 DGGA O=C(O)C1(P(=O)(c2ccccc2)c2ccccc2)CCC1 301456 VLYPGJRSJFKNHX-UHFFFAOYSA-N 300.294 3.008 50 50 DGGA CSc1ccc(/C=C(\C#N)C(=O)NCc2ccncc2)cc1 6571659 FRUQGOAQNHPWIK-XNTDXEJSSA-N 309.394 3.027 50 50 DGGA N#Cc1ccc(C(Br)Br)c([N+](=O)[O-])c1 196788222 QSNWGGZLZYPJJC-UHFFFAOYSA-N 319.940 3.255 50 50 DGGA O=C(N/N=C/c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 288661 AMQMBWVVRXHICK-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA O=C(Cc1cccs1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 56155 YXDYFKSQLPXHLD-OVCLIPMQSA-N 323.761 3.003 50 50 DGGA CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1O 15219993 KBVWUGVKEAPINO-LCYFTJDESA-N 324.336 3.042 50 50 DGGA O=C(CN1CCCCC1)NN=C(c1ccccc1)c1ccccc1 1403653 LVFPWMJMZNQNSK-UHFFFAOYSA-N 321.424 3.041 50 50 DGGA CC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 1672799 DQQMRIMUYWACAY-NXEZZACHSA-N 305.997 3.475 50 50 DGGA Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21 4592613 BSMIPPJGDXQOCG-SNVBAGLBSA-N 314.414 3.295 50 50 DGGA O=C(CCl)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 74941652 KXLKGDGATJAPSJ-UHFFFAOYSA-N 309.568 3.439 50 50 DGGA CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 5051895 TZPCRGSOHMRVQP-LBPRGKRZSA-N 312.348 3.064 50 50 DGGA CC(C)[C@@H](Cl)OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 263625260 YDHNVKBBEBVOQJ-LBPRGKRZSA-N 319.829 3.398 50 50 DGGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 196636 ZGOPNVQXYVVFLX-AWEZNQCLSA-N 300.745 3.155 50 50 DGGA N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 36022156 AUXSCZVVBXKHSB-YRNVUSSQSA-N 306.281 3.241 50 50 DGGA Fc1cc(CBr)ccc1I 95917624 VDIYJVYZXAIADJ-UHFFFAOYSA-N 314.923 3.325 50 50 DGGA in-vitro CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C)sc1C 619370 BGGHVJOXANICQO-AWEZNQCLSA-N 318.398 3.010 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)C=C1C1CC1 1864236 QZVDUYUWAGKGJZ-INIZCTEOSA-N 304.328 3.029 50 50 DGGA C[C@@H]1C/C(=N/NC(=O)c2cccc(F)c2)c2ccc(O)cc2C1 32116744 TVXQVGZPVORKHE-QKRFLKLASA-N 312.344 3.248 50 50 DGGA [C-]#[N+][C@H](c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 95686574 BTXVFJYPHAIAST-INIZCTEOSA-N 301.367 3.395 50 50 DGGA CC(C)(C)c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 288968 CUCSPDBONVVSEN-GSPCDJLXSA-N 312.413 3.186 50 50 DGGA CCOC(=O)[C@H](CC)P(=O)(c1ccccc1)c1ccccc1 34739 ASJXHAZWHQZURX-KRWDZBQOSA-N 316.337 3.342 50 50 DGGA CCc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 117852 HCGWWRLUJARSOV-OOWUWCJESA-N 310.397 3.475 50 50 DGGA COc1cc(OC)c(NC(=O)[C@H](C)Br)cc1Cl 34926256 JWCTYFYKSHTYGX-LURJTMIESA-N 322.586 3.079 50 50 DGGA CC(C)(C)[Si](C)(C)OC[C@@H]1C(=O)[C@H]2C=C[C@H]1C1(C2)OCCO1 257356832 KPCBFCTXUHCWCL-MELADBBJSA-N 324.493 3.143 50 50 DGGA Cn1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)c2ccccc21 553096 GSAXZZGVMLXNDW-SRZZPIQSSA-N 316.364 3.424 50 50 DGGA COc1ccc2cc(/C=N/NC(=O)c3ccccc3O)ccc2c1 59279 OUPLZWMTHLSEHS-UDWIEESQSA-N 320.348 3.318 50 50 DGGA CC(C)[C@H]1C(C#N)=C(SCC#N)NC2=C1C(=O)CC(C)(C)C2 2275325 ABQNFVZFWGJHEB-AWEZNQCLSA-N 315.442 3.497 50 50 DGGA O=C(N/N=C/c1ccc(Br)cc1)c1ccccc1 4740789 NWTGPWLADWVGMZ-MHWRWJLKSA-N 303.159 3.213 50 50 DGGA Cc1ccc(N(c2ccc(C)cc2)c2ccc(B(O)O)cc2)cc1 169975897 XDARIDUNZZQZBQ-UHFFFAOYSA-N 317.197 3.453 50 50 DGGA in-vitro CC[C@@H](NC(=O)/C(C#N)=C\c1cc2n(n1)CCC2)c1ccccc1 849249418 IBATUMHPIWXXIW-VHUCWBOISA-N 320.396 3.004 50 50 DGGA COc1ccccc1-c1noc([C@]2(C)C[C@H]2Br)n1 952876910 HTGMSNQBVANARA-ZWNOBZJWSA-N 309.163 3.170 50 50 DGGA O=C(N/N=C/c1ccccc1)c1ccccc1Br 231876 QQLKDQUSTQMHGF-MHWRWJLKSA-N 303.159 3.213 50 50 DGGA Nc1nc(CCl)nc(Nc2ccc(Cl)c(Cl)c2)n1 17823586 BVXIQAHVNCQTQC-UHFFFAOYSA-N 304.568 3.243 50 50 DGGA C[C@@H](Cl)C(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 1875363793 AIOKMJKRSYFHCV-QMTHXVAHSA-N 324.211 3.305 50 50 DGGA CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccs2)C(C#N)=C(N)O1 36795 PKLFFEFPPILVCW-ZDUSSCGKSA-N 318.398 3.171 50 50 DGGA Cc1cc(C(=O)N/N=C/c2c[nH]nc2-c2ccccc2)cs1 4960075 UOTDGIYRXCMGMG-GIJQJNRQSA-N 310.382 3.211 50 50 DGGA CC1=C(C#N)C(c2cccc(Br)n2)C(C#N)=C(C)N1 25539554 LWADYUPAQAQYID-UHFFFAOYSA-N 315.174 3.126 50 50 DGGA CC(C)(C)OC(=O)N1C(=O)OC(=O)C[C@@H]1c1ccc(F)cc1 32098811 LCWQGJQRFTXUSX-LLVKDONJSA-N 309.293 3.171 50 50 DGGA in-vitro CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1 435909 CJPQNMHGYVPOSP-YBFXNURJSA-N 312.369 3.159 50 50 DGGA O=C(NNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl 2167165 FUCRTUHKKXKFHI-UHFFFAOYSA-N 324.167 3.460 50 50 DGGA COc1ccc(NC(=O)C(C#N)=C2CCCCC2)c(OC)c1 17024944 UDVGBIIYAXIVNI-UHFFFAOYSA-N 300.358 3.427 50 50 DGGA COC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]1CCCCO1 198018537 RPLZTINCNFPQBI-CHWSQXEVSA-N 318.486 3.093 50 50 DGGA O=C(NNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 54839 YBFRTDHRYMNDLU-UHFFFAOYSA-N 309.152 3.068 50 50 DGGA biogenic Cc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1Cl 154342 FDCOZKYDNKVQKT-VCHYOVAHSA-N 312.760 3.060 50 50 DGGA O=C(CCl)N[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 1875378099 VRVCDROBMRWGDL-AMIZOPFISA-N 322.619 3.426 50 50 DGGA CCCc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cs1 2730584 BPKAHVRIKPOJOT-CAOOACKPSA-N 316.382 3.193 50 50 DGGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccco2)n[nH]1 5296776 HGSJNVVYQZJGQI-HGBXGJOCSA-N 306.325 3.099 50 50 DGGA Cc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1 5359251 JYASTWWLQNOUEI-XDHOZWIPSA-N 304.353 3.149 50 50 DGGA CCOC(=O)[C@H](Br)c1ccc(Br)cc1 25726663 PPRAWWBOUOBAON-SECBINFHSA-N 321.996 3.448 50 50 DGGA in-vitro CC[C@@H](Nc1ccc(F)cc1)C(=O)N/N=C/c1cccs1 2763112 OUDYTWBJKCGGJF-NGWPFTMJSA-N 305.378 3.228 50 50 DGGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccncc2)cc1 3353897 QSYPFNFJSLOYRO-FYJGNVAPSA-N 318.380 3.253 50 50 DGGA O=C(N/N=C1/CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 12403728 MLEGORDDOBPMNL-VLGSPTGOSA-N 309.325 3.065 50 50 DGGA Cc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1 357742 AREIMCXPMGQYLD-UHFFFAOYSA-N 303.749 3.115 50 50 DGGA CCCOc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1 2755270 APXMTYYQEZNMLA-UHFFFAOYSA-N 321.380 3.294 50 50 DGGA CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 19760541 IGCQPCVKAVMDBL-MRXNPFEDSA-N 309.325 3.086 50 50 DGGA C=C[C@]1(O)COC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C 169835282 AHIUXIZHDUBILC-CJNGLKHVSA-N 316.514 3.467 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)C2=C1CCCC2 28081 ITYLCSWHEYFJFV-KRWDZBQOSA-N 300.365 3.424 50 50 DGGA O=C(N/N=C/c1ccccc1O)c1cc2ccccc2cc1O 73637 XTQAGBABCDSRSN-YBFXNURJSA-N 306.321 3.015 50 50 DGGA C=CCOc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1 4372580 BEORJXFUKXMGFD-DEDYPNTBSA-N 324.380 3.089 50 50 DGGA CCO[Si](C)(CC[Si](OCC)(OCC)OCC)OCC 169991470 WZJDBQZPEAEUMK-UHFFFAOYSA-N 324.566 3.180 50 50 DGGA C/C(=N\NC(=O)c1cccc(OCC(C)C)c1)c1ccccn1 17032305 XPRXSHQEHHUDRY-XSFVSMFZSA-N 311.385 3.270 50 50 DGGA CC1(C)OB(c2cccc(CBr)c2F)OC1(C)C 169936415 CWASIKJVXVGLKA-UHFFFAOYSA-N 314.991 3.020 50 50 DGGA in-vitro O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 4812383 AFAURWRTICNQIL-UHFFFAOYSA-N 306.709 3.397 50 50 DGGA O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccccc2)[nH]1 1875325191 TUCDLQDPKMABOH-XSFVSMFZSA-N 303.365 3.375 50 50 DGGA O=C(NNc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4946966 JQDFMCSUKNAZNP-UHFFFAOYSA-N 315.373 3.254 50 50 DGGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1F 241829 YLGODCCHHSQNEA-AYVTZFPOSA-N 316.307 3.026 50 50 DGGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 4989666 QXBICLPBHLJQRQ-YBFXNURJSA-N 322.324 3.230 50 50 DGGA N#CC(C#N)=Cc1cccn1-c1nccc(-c2cccs2)n1 1384470 UNUKRCHDNNTDIQ-UHFFFAOYSA-N 303.350 3.426 50 50 DGGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 1562122 MPBSFQAYZCSWKN-UHFFFAOYSA-N 309.152 3.068 50 50 DGGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(F)c1 298689 KJOAGKHCMUAYFX-RGVLZGJSSA-N 308.312 3.448 50 50 DGGA Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)CCl)cc2F)n1 1875374173 DJUJCUAZOBDIKP-LLVKDONJSA-N 309.772 3.044 50 50 DGGA O=C(CBr)c1ccc(OC(=O)c2ccccc2)cc1 1641189 GKPQAXNEUSDRJJ-UHFFFAOYSA-N 319.154 3.483 50 50 DGGA Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)CCl 1319785993 RSHGZJXFGJSHBH-LLVKDONJSA-N 318.248 3.403 50 50 DGGA CC(C)c1ccccc1NC(=O)CI 5614123 RCNXVLTXZLOANE-UHFFFAOYSA-N 303.143 3.184 50 50 DGGA Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 293066 KGNLUZZVRQVPBU-MRXNPFEDSA-N 308.381 3.446 50 50 DGGA CC(C)Oc1ccccc1-c1cc(C(=O)NN)c2ccccc2n1 5911247 JVMHEDDVVCZSAS-UHFFFAOYSA-N 321.380 3.293 50 50 DGGA Cc1nn(-c2ccccc2)c2ncc(NC(=O)[C@H](F)Cl)cc12 2325898466 DPVQDXWMNFUUBI-ZDUSSCGKSA-N 318.739 3.202 50 50 DGGA Cn1c(C(=O)NN)cc2oc(-c3ccc(Cl)c(Cl)c3)cc21 409419 MUFKLDBKOWCUPW-UHFFFAOYSA-N 324.167 3.349 50 50 DGGA Clc1nsc(SSc2nc(Cl)ns2)n1 4290474 GYSBSYPRQNBHKS-UHFFFAOYSA-N 303.246 3.496 50 50 DGGA CN(C(=O)CCl)[C@@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1 1875376773 HXRBLOBUTRCVHA-SECBINFHSA-N 312.747 3.001 50 50 DGGA C=CCc1cccc(/C=N\NC(=O)c2cccc3cc[nH]c23)c1O 12379102 KEGCJJWHOKWJPC-MTJSOVHGSA-N 319.364 3.366 50 50 DGGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1 254392373 JBILSRBQBSADGM-UMFRXALVSA-N 313.357 3.197 50 50 DGGA O=C(N/N=C/c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 288674 JGRMBHOYMVSFRT-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 434327 RUCJAELZIZCIFW-SDNWHVSQSA-N 308.337 3.337 50 50 DGGA Cc1ccsc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](C)C2 242080 RWEKGHITSFBQQL-ISVAXAHUSA-N 300.383 3.117 50 50 DGGA C/C(=N\NC(=O)COc1cccc(C)c1C)c1cccs1 289052 NNQZGSMMANRKEY-GHRIWEEISA-N 302.399 3.284 50 50 DGGA CSc1ccc(/C=N\NC(=O)COc2ccc(C)cc2)cc1 32565800 SZGBXIYZBBLFGE-WQRHYEAKSA-N 314.410 3.246 50 50 DGGA CSC1=C(C#N)[C@@H](c2ccc(Br)cc2)CC(=O)N1 198437 CXZYXORXRBRQSK-SNVBAGLBSA-N 323.215 3.151 50 50 DGGA CN(c1ccccc1)c1ccc(CNC(=O)CCl)cc1F 1875363582 KOFTZTIKFNIFCK-UHFFFAOYSA-N 306.768 3.449 50 50 DGGA COC(=O)[C@]12C(=O)CCC(C)(C)[C@H]1CC=C[C@@H]2O[Si](C)(C)C 169836732 ZAVMTPKEZSVJSP-IFIJOSMWSA-N 324.493 3.331 50 50 DGGA Cc1cc(NC(=O)[C@@H](C)Br)ccc1Br 235083064 IFWRABRCIZOJDV-SSDOTTSWSA-N 321.012 3.479 50 50 DGGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1 12403853 OIACSGNVRXIZCJ-OZOLYBCPSA-N 309.325 3.414 50 50 DGGA Cc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)o1 4956209 RPBHGVFPWXVBFD-YBFXNURJSA-N 308.337 3.270 50 50 DGGA C[C@@H](Cl)C(=O)NC(C)(C)c1nc2cc(Cl)ccc2o1 1875366813 DZLMKFZQWKDRAF-SSDOTTSWSA-N 301.173 3.460 50 50 DGGA C/C(=N\NC(=O)COc1cc(C)ccc1C)c1cccs1 289062 WEZACVGYKLFISP-GHRIWEEISA-N 302.399 3.284 50 50 DGGA CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2O)cc1 445166 DFIVRGWGNUAGMF-SDNWHVSQSA-N 307.353 3.004 50 50 DGGA COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1O 15220532 MXMPMIKIQGXREK-ZROIWOOFSA-N 308.337 3.255 50 50 DGGA CC(C)CCNC(=O)c1ccc(-c2noc(CCl)n2)cc1 34924945 RXZXPPBPFAEWMS-UHFFFAOYSA-N 307.781 3.251 50 50 DGGA O=C(N/N=C/c1ccccc1Br)C1CCCCC1 2521879 AEPVTHYOLAHUJI-MHWRWJLKSA-N 309.207 3.480 50 50 DGGA O=C/C=C/c1ccc(-c2cn3cc(/C=C/C=O)ccc3n2)cc1 17111559 ULOGAXDYVSGORE-ZPUQHVIOSA-N 302.333 3.426 50 50 DGGA CC(C)c1cccc(C(C)C)c1OCc1ccc(B(O)O)cc1 169903638 IYHHUWVULUSILI-UHFFFAOYSA-N 312.218 3.192 50 50 DGGA in-vitro COc1ccc(N[C@@H](C)C(=O)NN=C(C)c2ccccc2)cc1 245238239 HEAZJCMOIWSLNC-AWEZNQCLSA-N 311.385 3.036 50 50 DGGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 124745 HPFBLDVLKFCLND-INIZCTEOSA-N 324.380 3.146 50 50 DGGA N#CC(C#N)=Cc1ccnn1-c1ncc(C(F)(F)F)cc1Cl 1388843 JLGSWWWBXHCPFQ-UHFFFAOYSA-N 323.665 3.370 50 50 DGGA CSc1nc(Cl)cc(NNC(=O)Nc2ccccc2)n1 1398330 DIZKJEZCVYRCJS-UHFFFAOYSA-N 309.782 3.001 50 50 DGGA O=C(CCBr)NC(=O)Oc1ccc2ccccc2c1 2973405 WCEIEPOFWYNPTA-UHFFFAOYSA-N 322.158 3.240 50 50 DGGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1Cl 5353347 WECBFGUVBQNWBA-RQZCQDPDSA-N 302.765 3.095 50 50 DGGA O=C(N/N=C/c1ccc(Br)s1)[C@H]1CC12CCC2 50658 VPQLJEGZSVLUIV-CULDGANSSA-N 313.220 3.151 50 50 DGGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccncc2)c1 257394 FUXNLOQBVUUYGZ-RGVLZGJSSA-N 311.385 3.043 50 50 DGGA COc1ccc(/C=C/C(=O)NNc2ccccc2F)cc1F 152866941 WXKZUPQLHGYZKN-VQHVLOKHSA-N 304.296 3.130 50 50 DGGA CCN(CC)c1ccc(/C=N/NC(=O)Cc2cccs2)cc1 73148 BAACYPRKJXEXEE-QGOAFFKASA-N 315.442 3.287 50 50 DGGA C[C@H](Cl)C(=O)N(C)Cc1nc2ccccc2n1C(F)F 1875363651 PGSBHRAAYLBDDD-QMMMGPOBSA-N 301.724 3.017 50 50 DGGA Cc1cccc(NCC(=O)N/N=C/c2ccc(Cl)cc2)c1 58888 OWIIXCIVCALQCU-VXLYETTFSA-N 301.777 3.211 50 50 DGGA Cc1cc(C(=O)N/N=C/c2cccc(Br)c2)c(C)o1 228239 ZNTCPFLBHMBUGK-LZYBPNLTSA-N 321.174 3.423 50 50 DGGA O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(O)cc1O 293585 CXOSINCKODSTMF-YBFXNURJSA-N 306.321 3.015 50 50 DGGA CN(C)c1c([N+](=O)[O-])c(C(Cl)Cl)nn1-c1ccccc1 4475646 DQMZPGLNDYAZLS-UHFFFAOYSA-N 315.160 3.323 50 50 DGGA C[C@H]1C[C@H](N(Cc2cccc(Cl)c2)C(=O)CCl)CCO1 1875382120 RJHKJEJUEAOLFX-SMDDNHRTSA-N 316.228 3.475 50 50 DGGA Cc1cc(C)nc(SCC(=O)NN=C2CCCCCC2)n1 188483 IGAQJXGPALYZJV-UHFFFAOYSA-N 306.435 3.012 50 50 DGGA CCCc1n[nH]c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 18116993 GLXMRYVZKKTCPP-HNNXBMFYSA-N 319.368 3.062 50 50 DGGA CC/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(O)cc1 4991836 BDTXTQUDHVCGOB-SIVVQXRPSA-N 308.381 3.426 50 50 DGGA COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=C(C#N)C#N 64864465 OEQYAOOKOSHGTE-JTQLQIEISA-N 307.353 3.128 50 50 DGGA in-vitro COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CCCCC2 35411990 IUSHBRNARLSWKO-MRVPVSSYSA-N 315.822 3.369 50 50 DGGA CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1 5023528 RUCJAELZIZCIFW-KAMYIIQDSA-N 308.337 3.337 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)C2=C1CCCC2 28082 ITYLCSWHEYFJFV-QGZVFWFLSA-N 300.365 3.424 50 50 DGGA O=[P@]1(c2cc(O)ccc2O)Oc2ccccc2-c2ccccc21 100014241 KMRIWYPVRWEWRG-QHCPKHFHSA-N 324.272 3.386 50 50 DGGA in-vitro C[C@H]1C[C@@]2(C)C[C@@H](C(=O)O2)[C@H]1C(=O)OCCCCCCCl 825426673 YHTZQESDEKCPIF-ZWUHOBOKSA-N 316.825 3.307 50 50 DGGA COc1ccc(-c2csc(CCNC(=O)[C@@H](C)Cl)n2)cc1 1875363748 XHCPSDJEBVDSHT-SNVBAGLBSA-N 324.833 3.105 50 50 DGGA O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)[C@@H](F)Cl 2325898165 VTIZSQSABASBEA-LLVKDONJSA-N 304.774 3.053 50 50 DGGA CN(C)c1nc(C=C(C#N)C#N)c(Cl)n1-c1ccc(F)cc1 2657836 HFGHWXXQKWQBJJ-UHFFFAOYSA-N 315.739 3.161 50 50 DGGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)s1 5051899 GRTCREZSSTVRAU-NSHDSACASA-N 314.414 3.295 50 50 DGGA CC(C)(C)c1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1 299288 GFYWWSZJZWWGMZ-UHFFFAOYSA-N 324.424 3.378 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccc(C)cc1 9015430 XHDPYEYGFLQVMU-CPNJWEJPSA-N 322.368 3.441 50 50 DGGA CCOC(=O)c1c(NC(=O)CCl)sc2c1CC[C@H](C)C2 1940202 WZZDTSHULCEHQQ-QMMMGPOBSA-N 315.822 3.227 50 50 DGGA CC(/C=C/c1ccccc1)=N\NC(=O)c1cccc([N+](=O)[O-])c1 5289283 NHXCUFQHJYKINI-OAVRUSMPSA-N 309.325 3.414 50 50 DGGA CCCC(=O)NNC(=S)Nc1ccc(Cl)cc1Cl 6397561 VHRACDNMGZNWJE-UHFFFAOYSA-N 306.218 3.111 50 50 DGGA O=C(OC[C@@H]1O[C@@H]1c1ccccc1)Oc1ccc([N+](=O)[O-])cc1 6864479 NIEXHSMFFPOGRX-LSDHHAIUSA-N 315.281 3.250 50 50 DGGA in-vitro O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1C[C@@H]1c1ccccc1 4949317 ACZSIIISWBUGAE-XXXRSFMGSA-N 303.365 3.422 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)[C@H]2CCCC=C12 19287786 GLTPZAGLCSGAKP-RDJZCZTQSA-N 300.365 3.280 50 50 DGGA CSc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 263744 BYADCPRKSITXRO-LICLKQGHSA-N 316.430 3.193 50 50 DGGA O=C(CN1CCCCCC1)N/N=C/c1cccc2ccccc12 292589 PTDSVGBMQNJNSW-XSFVSMFZSA-N 309.413 3.166 50 50 DGGA COc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1C 2821098 GOAXVUNPVHDMPB-KRWDZBQOSA-N 324.380 3.127 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2Cc1ccccc1 290553 SCSHQLZKMACATD-CYBMUJFWSA-N 308.381 3.213 50 50 DGGA Cc1ccccc1OCC(=O)N/N=C/c1cccc2cccnc12 435190 GZXIMEODXPUQAW-CIAFOILYSA-N 319.364 3.072 50 50 DGGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1C 207938 SDHMTPPYMAWYPY-KRWDZBQOSA-N 324.380 3.127 50 50 DGGA COc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 4578192 QWAKBPPGUAGKLN-QDRDOIMASA-N 308.381 3.339 50 50 DGGA O=C(CCl)N[C@@H](CCO)c1ccc(-c2ccccc2)cc1 1875377021 PUMRZRZRRAFGJG-INIZCTEOSA-N 303.789 3.132 50 50 DGGA CC(C)C[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21 8579990 ZZEUZWUNTMWSNX-SECBINFHSA-N 300.387 3.354 50 50 DGGA CC(C)(C)OC(=O)COc1ccccc1CBr 299804040 ULEXNOLNRVYFCH-UHFFFAOYSA-N 301.180 3.302 50 50 DGGA Cc1ccc(C)c(NC(=S)NNC(=O)c2ccsc2C)c1 2727161 ISWLNNUXJIZQRF-UHFFFAOYSA-N 319.455 3.305 50 50 DGGA [C-]#[N+][C@@H](c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 95686573 INJOLCGALKIREA-MRXNPFEDSA-N 301.367 3.395 50 50 DGGA CCc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 117856 HCGWWRLUJARSOV-NPRIEWAGSA-N 310.397 3.475 50 50 DGGA CCCCc1ccc(NC(=O)CI)cc1 2519863 OITIQHRCIQJOIZ-UHFFFAOYSA-N 317.170 3.403 50 50 DGGA CC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(F)cc1 3580682 GBOFXPUYEXCHIS-BHFKYQIGSA-N 312.344 3.410 50 50 DGGA BrCC1(c2ccc(Br)cc2)OCCO1 1718189 BEEQGUHBXJRRTI-UHFFFAOYSA-N 321.996 3.044 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)C=C1C1CC1 19338003 QZVDUYUWAGKGJZ-MRXNPFEDSA-N 304.328 3.029 50 50 DGGA CCSS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 391062 SZUBQRFLBPXQOE-UHFFFAOYSA-N 321.423 3.381 50 50 DGGA C=CCOc1ccc(/C=N/NC(=O)C2CCCC2)cc1OCC 15934508 VBVNDXXIYXRWPT-CPNJWEJPSA-N 316.401 3.290 50 50 DGGA Cc1c(I)cccc1CBr 145151880 AZHHOWTZWYQECP-UHFFFAOYSA-N 310.960 3.495 50 50 DGGA O=C(NNC(=S)Nc1ccccc1)c1cccc2ccccc12 122650 VPCPYVYNTCKWEG-UHFFFAOYSA-N 321.405 3.471 50 50 DGGA FC(F)(F)C(F)(F)[C@H](Br)CBr 2242930 LRKIMNKTUXHNLV-UWTATZPHSA-N 305.866 3.342 50 50 DGGA in-vitro CC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4372758 HAIJNOOCTFASOG-VCHYOVAHSA-N 316.744 3.029 50 50 DGGA C[C@H](NS(=O)(=O)c1ccc(N=C=S)cc1)c1ccccc1 19737320 VJCITSBIDZHEPQ-LBPRGKRZSA-N 318.423 3.460 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccs2)[C@H]2CCCC=C12 19594953 ILUYWILPSKYJNL-SWLSCSKDSA-N 306.394 3.342 50 50 DGGA Cc1ccc(NNC(=O)c2cc([N+](=O)[O-])cnc2C)cc1Cl 952990706 WUUVMTVVLCRFKS-UHFFFAOYSA-N 320.736 3.017 50 50 DGGA C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CCl 1875303375 RAUUCRMDIZVZBN-VIFPVBQESA-N 304.699 3.185 50 50 DGGA CCCN(Cc1nnc(-c2cccs2)o1)C(=O)[C@H](C)Cl 1875362972 WMYQEGZOLNURDX-VIFPVBQESA-N 313.810 3.164 50 50 DGGA COc1ccc(C2=CC(C3CC3)=C(C#N)C(=C(C#N)C#N)N2)cc1 291712 VAIGXXQWALVKER-UHFFFAOYSA-N 314.348 3.171 50 50 DGGA CN(C)c1cccc(C(=O)N/N=C/c2ccc(F)cc2Cl)c1 1775996525 XNXLXYRZMABKRH-VXLYETTFSA-N 319.767 3.309 50 50 DGGA COc1ccc(C(=O)N/N=C/c2ccc(SC)cc2)cc1 256859 NREWZYLKJCNSNS-GZTJUZNOSA-N 300.383 3.181 50 50 DGGA CC1CCC(=NNC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)CC1 4372924 LJOABUOPVDTAFA-KIYNQFGBSA-N 319.361 3.044 50 50 DGGA O=C(NNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 568792 OADMTIODBLBYJO-UHFFFAOYSA-N 309.152 3.068 50 50 DGGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 1875367570 OXCLJHYETARGPL-NSHDSACASA-N 320.820 3.332 50 50 DGGA N#C/C(=C\c1cccnc1)c1nc(O)c2cc(Cl)ccc2n1 5013423 UYUMAZCCXMGWKV-IZZDOVSWSA-N 308.728 3.448 50 50 DGGA O=C(NNc1nccnc1Cl)[C@@H]1C[C@H]1c1ccccc1Cl 114897074 KHMQFAGROLTOLA-VHSXEESVSA-N 323.183 3.030 50 50 DGGA CCCC(=O)NNC(=S)Nc1cc(Cl)ccc1Cl 6397383 FAKOIGGYASCSPA-UHFFFAOYSA-N 306.218 3.111 50 50 DGGA O=C(N/N=C/c1ccccc1O)c1ccc2ccccc2c1O 3078633 AIMSARKVDPYTJK-YBFXNURJSA-N 306.321 3.015 50 50 DGGA O=C(N/N=C/c1cccc(O)c1)c1ccc2ccccc2c1O 5777205 UHRVGHPLKSLLAS-YBFXNURJSA-N 306.321 3.015 50 50 DGGA CSc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2)cc1 32603802 QPBKWDXKQQKGEW-ODLFYWEKSA-N 313.426 3.279 50 50 DGGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)o1 5118765 RHFYTPBFUBYXOL-AWEZNQCLSA-N 318.336 3.196 50 50 DGGA Cc1ccccc1CSCC(=O)N/N=C/c1cccs1 286143 JVXIXXAQRBREIH-CXUHLZMHSA-N 304.440 3.440 50 50 DGGA COc1ccc(-c2cc(C(=O)NN)c3cc(C)cc(C)c3n2)cc1 6255362 ANGFTJLHGUYYQS-UHFFFAOYSA-N 321.380 3.131 50 50 DGGA Cn1c(/C(C#N)=C/c2cccc([N+](=O)[O-])c2O)nc2ccccc21 36062634 MDTJAQMIDXIISO-FMIVXFBMSA-N 320.308 3.251 50 50 DGGA Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)CCl)cc2F)n1 1875374174 DJUJCUAZOBDIKP-NSHDSACASA-N 309.772 3.044 50 50 DGGA COc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(F)c1 298782 QEJJJMRMSBSHBM-GIJQJNRQSA-N 306.724 3.252 50 50 DGGA CC(C)C[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21 8580649 ZZEUZWUNTMWSNX-VIFPVBQESA-N 300.387 3.354 50 50 DGGA COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)CCl 1875367864 UFEGAWCUBLQCKO-NSHDSACASA-N 302.201 3.423 50 50 DGGA CCOC(=O)/C(C#N)=C1/C(=O)N2c3c1cccc3[C@@H](C)CC2(C)C 545541 RZGHHWYVYBFYLW-AKCBPTIMSA-N 324.380 3.159 50 50 DGGA O=C(OC[C@@H]1O[C@H]1c1ccccc1)Oc1ccc([N+](=O)[O-])cc1 2386838 NIEXHSMFFPOGRX-GJZGRUSLSA-N 315.281 3.250 50 50 DGGA in-vitro Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])o2)c(C)c1 334161422 ZJSXWLCKSJHGQA-XYOKQWHBSA-N 311.297 3.350 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@@H]2CCCC=C12 70905 NYNRIBXMORSIQA-CXAGYDPISA-N 318.355 3.419 50 50 DGGA N#CSc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1 11666748 CWDAMGHTMAXLRI-HNNXBMFYSA-N 312.350 3.038 50 50 DGGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl 241581 DPXQPJGRELQYPM-RFAUZJTJSA-N 314.772 3.401 50 50 DGGA O=C(CN1CCCCCCC1)N/N=C/c1ccc(Cl)cc1 4990358 DGTQJTTYUXQFDY-LDADJPATSA-N 307.825 3.056 50 50 DGGA CC[C@@H](Br)C(=O)NCCc1ccc(Cl)cc1 32919943 JNMRCPQSIPYFNI-LLVKDONJSA-N 304.615 3.172 50 50 DGGA Cc1ccc(CBr)cc1I 199560998 KGNUABJQDUDQQY-UHFFFAOYSA-N 310.960 3.495 50 50 DGGA N#CS[C@H](CS(=O)(=O)c1ccccc1)c1ccccc1 63292 BTGVARUPWYPPJA-OAHLLOKOSA-N 303.408 3.416 50 50 DGGA O=C1c2ccccc2C(=O)N1CCCCCCBr 1646695 OAZFTIPKNPTDIO-UHFFFAOYSA-N 310.191 3.238 50 50 DGGA in-vitro COc1ccc2[nH]cc(C3=CCN(C(=O)[C@@H](C)Cl)CC3)c2c1 1875364540 NTFDRNJNEVXUSR-LLVKDONJSA-N 318.804 3.420 50 50 DGGA O=C(Nc1cnc2ccc(Br)cc2c1)[C@H](F)Cl 2325897681 DOTDNVFIZGMMKN-JTQLQIEISA-N 317.545 3.470 50 50 DGGA CC[C@@H](NC(=O)[C@@H](F)Cl)c1nc(C(F)(F)F)cs1 2325898504 HWITYGXXDGAGFE-INEUFUBQSA-N 304.696 3.264 50 50 DGGA Cc1ccc(NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 58874 ZMNNHMOUNVHZGQ-VXLYETTFSA-N 301.777 3.211 50 50 DGGA CS(=O)(=O)c1ccc(CBr)c(C(F)(F)F)c1 71790227 ONSMWCRBEGDPIL-UHFFFAOYSA-N 317.126 3.004 50 50 DGGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cnccn1 381529 VTIONZXMCXMQLV-CIAFOILYSA-N 318.336 3.033 50 50 DGGA C=CCOc1ccccc1/C=N/NC(=O)[C@@H](OC)c1ccccc1 2898683 NQDOUKMGMQJOAY-OFBHVFLISA-N 324.380 3.089 50 50 DGGA Cn1nc(C2CC2)cc1/C=N/NC(=O)Nc1ccc(Cl)cc1 2325770984 GGMSJTOEKMUYKG-RQZCQDPDSA-N 317.780 3.107 50 50 DGGA CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1 4723445 BWECSMKPTHBPHG-UKTHLTGXSA-N 311.293 3.115 50 50 DGGA C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(N=C=S)cc1 19737296 XDYJHECGSLGEFR-VXGBXAGGSA-N 310.444 3.373 50 50 DGGA CCCC1=C(C(=O)OCC)[C@@H](c2ccsc2)C(C#N)=C(N)O1 207294 XKJREXQGLOWQEH-ZDUSSCGKSA-N 318.398 3.173 50 50 DGGA O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 41183 MRVXJBFDPSSZNL-UHFFFAOYSA-N 323.780 3.111 50 50 DGGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 264993 YTBWVAYTXPMMBM-VCHYOVAHSA-N 322.324 3.148 50 50 DGGA CCc1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1 225850 RDJGVKTUWDSAKZ-YBFXNURJSA-N 316.788 3.432 50 50 DGGA Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3cccc(F)c3)ccc21 16424957 RELPTZUNWOBQIJ-ZSOIEALJSA-N 307.328 3.080 50 50 DGGA CC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 19761093 LZIHRECZONMLAK-INIZCTEOSA-N 309.325 3.086 50 50 DGGA Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2Cl)cc1 1738143 PIPFDJHDASHAHG-YBFXNURJSA-N 315.804 3.478 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 2475773 VRABLBFAMVGBAL-HNNXBMFYSA-N 312.344 3.277 50 50 DGGA N#C/C(=C\c1cccc(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 17032230 BFSSQAHUDMYQAU-XYOKQWHBSA-N 311.272 3.280 50 50 DGGA CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1cccc(C)c1 43761103 LABSNYRNCIPUOR-KNNRQAOJSA-N 321.380 3.139 50 50 DGGA CSc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 17031996 IWJAFKRRUUDDAT-OQLLNIDSSA-N 309.394 3.027 50 50 DGGA COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1O 15685091 HDNJWZNJGXDMKB-XFXZXTDPSA-N 312.300 3.086 50 50 DGGA CCCN(Cc1nnc(-c2cccs2)o1)C(=O)[C@@H](C)Cl 1875362971 WMYQEGZOLNURDX-SECBINFHSA-N 313.810 3.164 50 50 DGGA CCNC(=O)NN(C(=O)Nc1ccccc1C)c1ccccc1 2166323 LYRHFOMOPNTUDP-UHFFFAOYSA-N 312.373 3.268 50 50 DGGA Cc1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 248979 VVHGHTGFVZWZBV-RGVLZGJSSA-N 307.353 3.005 50 50 DGGA COc1ccccc1NCC(=O)N/N=C(C)/C=C/c1ccccc1 12574894 FQXNNKCDTVCHKU-CNTOZLEXSA-N 323.396 3.313 50 50 DGGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)COc1ccccc1 225540 SBSCNMIMBPZQTH-YBFXNURJSA-N 307.353 3.005 50 50 DGGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccc1Cl 260607 DOSXGYZOVUQOON-VGOFMYFVSA-N 309.734 3.074 50 50 DGGA C[C@@H](Cl)C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 1875380186 HQZOWZHYLBBUFG-MLGOLLRUSA-N 303.789 3.131 50 50 DGGA O=C(COc1ccccc1)N/N=C/c1c(O)ccc2ccccc12 284588 KSQNTUFSBLSCRK-UDWIEESQSA-N 320.348 3.075 50 50 DGGA ClCc1nnc(-c2ccccc2I)o1 19513311 KOHZLEIPMOLETR-UHFFFAOYSA-N 320.517 3.080 50 50 DGGA C/C(CCc1ccccc1)=N/NC(=O)c1ccccc1[N+](=O)[O-] 275401 KQYWPTWMBRPYPZ-AQTBWJFISA-N 311.341 3.333 50 50 DGGA O=C(NNC(=O)c1cccc(F)c1)Nc1cccc2ccccc12 355654 INTJSBCODGUPJK-UHFFFAOYSA-N 323.327 3.445 50 50 DGGA C/C(N)=C(\C#N)C(=O)CSc1nc(C)c(C)n1C1CCCC1 2332237331 YNYXFSFKVFSBJA-UVTDQMKNSA-N 318.446 3.033 50 50 DGGA COC(=O)c1ccc(CBr)cc1Br 2513850 ZTDXOVAPGGNGSD-UHFFFAOYSA-N 307.969 3.131 50 50 DGGA in-vitro CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccc(C)cc1 4354824 CDJXBAKYRIFTGS-JPQYJOGGSA-N 321.380 3.139 50 50 DGGA CC(C)(C)c1n[nH]c2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 5051896 TZPCRGSOHMRVQP-GFCCVEGCSA-N 312.348 3.064 50 50 DGGA CCOC(=O)c1sc2cccc(F)c2c1NC(=O)CCl 329952 ZCIRCNOYPHKMSO-UHFFFAOYSA-N 315.753 3.394 50 50 DGGA Cc1cc(C)c(C)c(C2C(C#N)=C(N)SC(N)=C2C#N)c1C 19299997 GHNVOUDFNDESLK-UHFFFAOYSA-N 310.426 3.138 50 50 DGGA O=C(Cl)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 2506125 MDDUSWMIZCDHNC-UHFFFAOYSA-N 319.769 3.257 50 50 DGGA CCn1cc(CN(Cc2ccc(F)cc2)C(=O)CCl)c(C)n1 1875384037 JUOYJYCAXPDXNN-UHFFFAOYSA-N 323.799 3.118 50 50 DGGA COc1ccc(C(=O)CBr)cc1Br 269170 UAHYADIIIVEZIK-UHFFFAOYSA-N 307.969 3.035 50 50 DGGA in-vitro CN(C)c1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 4421430 OYZZCWPTOMESCN-XYLSPAALSA-N 307.397 3.006 50 50 DGGA C#CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 100649572 QDHIFHBNARALLI-UHFFFAOYSA-N 302.357 3.346 50 50 DGGA Cc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 44764 QRSPRYZQNBWNDS-INIZCTEOSA-N 308.381 3.446 50 50 DGGA O=C(OCc1ccccc1)N1CCC(CBr)CC1 158641 XJHKDSZGAWXUTB-UHFFFAOYSA-N 312.207 3.430 50 50 DGGA in-vitro N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OC/C=C/c1ccccc1 2558182 XGHYFEJMJXGPGN-UYHGDYIZSA-N 321.332 3.261 50 50 DGGA in-vitro COc1ccccc1/C=N/NC(=O)c1ccc2ccccc2c1O 5721142 JNCCGVNDKRTEDO-UDWIEESQSA-N 320.348 3.318 50 50 DGGA CC(C)(C)OC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 5047904 MBRDBUNUUINGLJ-UHFFFAOYSA-N 321.255 3.465 50 50 DGGA Cc1cccc(N(Cc2c(C3CC3)cnn2C)C(=O)CCl)c1 1875375831 JQDOZFVLWVCAQS-UHFFFAOYSA-N 317.820 3.378 50 50 DGGA O[C@H](CCl)COc1cccc2c(F)c(F)c(F)c(F)c12 3075564 HSMODIDWEHUKFI-ZCFIWIBFSA-N 308.658 3.375 50 50 DGGA COCc1ccccc1/C=N/NC(=O)c1cccc2ncccc12 1875317246 SBMUBLLCLRFEQT-CIAFOILYSA-N 319.364 3.145 50 50 DGGA CC(C)(C)c1nc(NC(=O)CCl)sc1Br 330673 RSZDHHMBUQVQGD-UHFFFAOYSA-N 311.632 3.380 50 50 DGGA N#CC(C(=O)C(Cl)(Cl)Cl)=C1Nc2ccccc2N1 2371638 JPFWKGBDCJPJOK-UHFFFAOYSA-N 302.548 3.198 50 50 DGGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc2c(c1)OCO2 3527048 VCOSBVMRZPZGHY-FKDPSPLQSA-N 308.337 3.234 50 50 DGGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)s1 18144168 ZLKLVOIIPMGBPK-LICLKQGHSA-N 310.382 3.211 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@H]2CCCC=C12 70910 NYNRIBXMORSIQA-GUYCJALGSA-N 318.355 3.419 50 50 DGGA C=CCOc1ccccc1/C=N/NC(=O)[C@H](OC)c1ccccc1 2898685 NQDOUKMGMQJOAY-SQVRNEIYSA-N 324.380 3.089 50 50 DGGA Cc1cc(C)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1 257081 XEXNSNRLYFCPGP-VCHYOVAHSA-N 311.341 3.284 50 50 DGGA CC(=O)[C@@H](Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 238853581 KGLJRCICJGJYES-SECBINFHSA-N 314.090 3.494 50 50 DGGA O=C(CCl)N(Cc1cccs1)C1Cc2ccccc2C1 1875374850 HFUWSLHMWVHXJC-UHFFFAOYSA-N 305.830 3.483 50 50 DGGA FC(F)(F)C(F)(F)C(F)(F)CI 1847492 AFHPVXVEXINDFS-UHFFFAOYSA-N 309.950 3.254 50 50 DGGA CCCc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 2769639 IWUOKXRJSLVDSB-UHFFFAOYSA-N 305.381 3.458 50 50 DGGA CC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4229868 LNKIVWWMPNWREA-VCHYOVAHSA-N 316.744 3.029 50 50 DGGA O=C(N/N=C/c1cccc2ccccc12)c1cc(C2CC2)n[nH]1 5819352 WKJABXLXUIDMNC-YBFXNURJSA-N 304.353 3.204 50 50 DGGA CC1(C)[C@H]2CC[C@@]1(CBr)C(=O)[C@@H]2Br 100747117 XNGJUGUTYMLWIM-NYNCVSEMSA-N 310.029 3.150 50 50 DGGA C[C@H](Cl)C(=O)NC[C@@H](O)c1ccc(-c2ccccc2)cc1 1875380184 HQZOWZHYLBBUFG-BLLLJJGKSA-N 303.789 3.131 50 50 DGGA C[C@]12CC[C@H]([C@H](Br)C1=O)[C@@]2(C)CBr 157957 DCDNKSJBRIJYEC-GOZTYBTRSA-N 310.029 3.150 50 50 DGGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2Cl)[nH]n1 8837688 CWPKBFKUIMPYCB-RQZCQDPDSA-N 304.781 3.125 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1[C@@H]1CC=CCC1 83332 PZKPNPNOOPEEFP-ABAIWWIYSA-N 320.348 3.319 50 50 DGGA COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccncc1 249796 XNQMQRZNBMKIIL-QGMBQPNBSA-N 324.167 3.161 50 50 DGGA COc1cc(C#N)ccc1C(Br)Br 97971790 FBRXOMHTCUKJMI-UHFFFAOYSA-N 304.969 3.355 50 50 DGGA CC(C)=NNC(=O)CNc1ccc(Cl)cc1Br 272048 OSJXUVNTTJLQKV-UHFFFAOYSA-N 318.602 3.026 50 50 DGGA C[C@@H]1C[C@@H](N(Cc2cccc(Cl)c2)C(=O)CCl)CCO1 1875382119 RJHKJEJUEAOLFX-RISCZKNCSA-N 316.228 3.475 50 50 DGGA C/C(=N\NC(=O)CCc1c(C)n[nH]c1C)c1ccc(Cl)cc1 55748 AWJKXUYIKUWDLQ-VCHYOVAHSA-N 318.808 3.153 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccs1 5297145 ONHFNHGIGTZDSS-GZTJUZNOSA-N 310.382 3.292 50 50 DGGA COc1ccccc1-c1noc([C@]2(C)C[C@@H]2Br)n1 952876908 HTGMSNQBVANARA-GXFFZTMASA-N 309.163 3.170 50 50 DGGA Cc1cc(CN(C)C(=O)CCl)cc(C)c1OCC(F)(F)F 1336910369 SQWKGLFUTUCBMQ-UHFFFAOYSA-N 323.742 3.442 50 50 DGGA Cc1ccc(N2C(=O)C[C@]3(C[C@H](Cl)N=N3)C2=O)cc1Cl 4498640 DBQMSXSRTPPKHJ-ZWNOBZJWSA-N 312.156 3.071 50 50 DGGA Cc1cc(C(=O)N/N=C/c2ccc(O)cc2)c2ccccc2n1 254097 DNEOQTGODCEJOP-YBFXNURJSA-N 305.337 3.013 50 50 DGGA CC(C)(C)c1[nH]nc2c1[C@H](Cc1ccccc1)C(C#N)=C(N)O2 4042773 QFUYHUFCMFAHEG-GFCCVEGCSA-N 308.385 3.120 50 50 DGGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1C[C@H]1c1ccccc1 4949307 ACZSIIISWBUGAE-VJNOGQACSA-N 303.365 3.422 50 50 DGGA CC1(C)O[C@@H]2C(=O)C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 252514265 BQTFEDRKSDLHNA-CYZMBNFOSA-N 300.471 3.117 50 50 DGGA CCCc1cc(C(=O)NNC(=O)Nc2cccc(F)c2)cs1 17055709 KARQIJJNYKHDJE-UHFFFAOYSA-N 321.377 3.306 50 50 DGGA CC1(C)OC[C@H]2OC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1 261508134 PYHWHKQRALSXOY-XQQFMLRXSA-N 300.471 3.441 50 50 DGGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccs1 320227 FDCDWACGYOKYQP-UHFFFAOYSA-N 315.181 3.130 50 50 DGGA COC(=O)c1c(NC(=O)CCl)sc2c1CCCCCC2 5669681 FSHHPVBXDIYBKG-UHFFFAOYSA-N 315.822 3.371 50 50 DGGA O=C(CCl)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 1875374773 DUZDVRPICBWGSW-GFCCVEGCSA-N 320.845 3.271 50 50 DGGA CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccccc2)cc1 43223 NELXQUFERXDSLQ-KGENOOAVSA-N 324.428 3.095 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2)[C@H]2CCCC=C12 19594733 DOKRJWGZSOSAQE-RDJZCZTQSA-N 318.355 3.419 50 50 DGGA COC1CCC(N(Cc2cc(C)oc2C)C(=O)CCl)CC1 1875382767 PQTJTCKAADOWFU-UHFFFAOYSA-N 313.825 3.421 50 50 DGGA O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 1576994 ACBQROXDOHKANW-UHFFFAOYSA-N 304.214 3.081 50 50 DGGA in-vitro Cc1[nH]nc2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 4494714 MYJZRAZFVXGFHU-MRXNPFEDSA-N 302.337 3.090 50 50 DGGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccccc1 257844 IERDOTDUUTYUMR-DEDYPNTBSA-N 304.349 3.369 50 50 DGGA CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 434375 KMHLNWCHZNACEG-KAMYIIQDSA-N 308.337 3.337 50 50 DGGA CCOc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1 3893111 XBLZLVAXUGTOMB-NTCAYCPXSA-N 308.385 3.467 50 50 DGGA O=C(N/N=C\c1ccc2c3c(cccc13)CC2)c1ccccc1O 25557873 GGRCNACEULPDHO-MTJSOVHGSA-N 316.360 3.408 50 50 DGGA CC(C)(C)OC(=O)N1CC[C@H](CBr)C(F)(F)C1 238109622 AAMRYYQQMYOAST-MRVPVSSYSA-N 314.170 3.274 50 50 DGGA CCCC1=C(C(=O)OCC)[C@H](c2cccs2)C(C#N)=C(N)O1 207908 CPCWYFMYCIQPTI-ZDUSSCGKSA-N 318.398 3.173 50 50 DGGA N#C/C(N)=C(C#N)/N=C/Nc1ccccc1Oc1ccccc1 20389893 HRKVPRIKTRCYCM-PEZBUJJGSA-N 303.325 3.137 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 183731 VRABLBFAMVGBAL-OAHLLOKOSA-N 312.344 3.277 50 50 DGGA O=C(COc1ccc(F)cc1)N/N=C/c1ccc(Cl)cc1 431969 XYGXXWSBPKLOIY-GIJQJNRQSA-N 306.724 3.008 50 50 DGGA COC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 1687602 XPRVBYSCJOFAFY-IUCAKERBSA-N 321.996 3.059 50 50 DGGA C=CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 2063815 KZOGTIHBOUKSIN-KRWDZBQOSA-N 322.364 3.066 50 50 DGGA O=C(N/N=C\c1ccc[nH]1)c1cccc2c3c([nH]c12)CCCC3 32565751 RYSKBNZCTRSGNP-JAIQZWGSSA-N 306.369 3.139 50 50 DGGA CC(C)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1 5384678 MKVJPSHMEWLJSB-SRZZPIQSSA-N 320.396 3.310 50 50 DGGA ClCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1 336171 DKALJSKWAPJDDK-UHFFFAOYSA-N 310.228 3.249 50 50 DGGA C[C@H](Cl)C(=O)Nc1cccc(-n2nccc2C(F)(F)F)c1 1875380471 QAFYOEKSZRWODR-QMMMGPOBSA-N 317.698 3.457 50 50 DGGA CC[C@H](Br)C(=O)Nc1cc(Cl)ccc1OC 32919707 KOLZULFDJDEYMW-QMMMGPOBSA-N 306.587 3.461 50 50 DGGA Cc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 44765 QRSPRYZQNBWNDS-MRXNPFEDSA-N 308.381 3.446 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(C)cc1 229731 YWNOWUPYTGMPCJ-LDADJPATSA-N 308.341 3.132 50 50 DGGA O=C(N/N=C\c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 32650096 CEGFBOWASHVEIN-SXGWCWSVSA-N 303.705 3.012 50 50 DGGA CC(C)(C)c1ncc(CN(CC(F)F)C(=O)CCl)s1 1875382323 YCEFDJGGJXVXSV-UHFFFAOYSA-N 310.797 3.273 50 50 DGGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(C(C)C)cc1 5536300 HYSDHJSFXZVRMY-YBFXNURJSA-N 312.417 3.233 50 50 DGGA CC(C)c1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cs1 2744153 FYBYEKHXTKVNFC-REZTVBANSA-N 316.382 3.364 50 50 DGGA O=C1[C@@H](Br)CCN1c1cccc(C(F)(F)F)c1 160252 FBWCCKYAGCRWTI-VIFPVBQESA-N 308.097 3.206 50 50 DGGA Fc1ccc(CBr)cc1I 90627531 XFHUCASFWPULRF-UHFFFAOYSA-N 314.923 3.325 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1 2256980 CAESVTWLMWEQFT-HNNXBMFYSA-N 312.344 3.277 50 50 DGGA COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1Cl 4089589 MJOXGHGEGDITLV-VCHYOVAHSA-N 302.761 3.421 50 50 DGGA CN(C)C(C/C=N/OCc1c(F)cccc1Cl)=C(C#N)C#N 4091024 JDRAHLGAWMHGRI-IFRROFPPSA-N 320.755 3.234 50 50 DGGA Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(Cl)c2)c1 566337 QTJKEJIQKWYUNL-VXLYETTFSA-N 316.788 3.486 50 50 DGGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 4721650 VGYZXMOGHPQOHS-LBPRGKRZSA-N 312.348 3.064 50 50 DGGA Cc1cc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cs1 2743443 UBTDJQDYXJGQFI-FZSIALSZSA-N 322.773 3.203 50 50 DGGA CCOC(=O)/C(C#N)=C/c1c[nH]c2ccc(Br)cc12 2164377 WMWQSIMSDYVHMD-WEVVVXLNSA-N 319.158 3.400 50 50 DGGA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N=C=S)cc2)C1 19737303 QICQGBDHPDLART-VXGBXAGGSA-N 310.444 3.088 50 50 DGGA CC1(C)CC(=O)C/C(=N/NC(=O)c2cc3ccccc3cc2O)C1 100018474 KCYFXEQJSVUMQL-ZHZULCJRSA-N 324.380 3.410 50 50 DGGA Cc1nc2cc(Br)cc(NC(=O)CCl)c2o1 1875375087 QNHTYKTZMLCOBN-UHFFFAOYSA-N 303.543 3.076 50 50 DGGA CC(C)[Si](OCCOCCOCCO)(C(C)C)C(C)C 220787943 CKSZMHHXNYMGIX-UHFFFAOYSA-N 306.519 3.204 50 50 DGGA C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(N=C=S)cc1 19737298 XDYJHECGSLGEFR-RYUDHWBXSA-N 310.444 3.373 50 50 DGGA Fc1cc(I)cc(CBr)c1 95917623 UIXPIZZGSQOTPJ-UHFFFAOYSA-N 314.923 3.325 50 50 DGGA in-vitro C[C@H](Cl)C(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 1875364554 VJPGIIACKGSTLN-QWRGUYRKSA-N 312.866 3.355 50 50 DGGA O=C(CCl)N1CCCC[C@H]1c1nc(-c2ccccn2)cs1 1875370016 WXMVTIYOGGVXPC-ZDUSSCGKSA-N 321.833 3.498 50 50 DGGA O=C(N/N=C/c1ccoc1)c1cc(C2CC2)nc2ccccc12 372575 SKJXZIMQIHVMID-VXLYETTFSA-N 305.337 3.469 50 50 DGGA COc1cc(CBr)c(OC)cc1CBr 2167710 YONSJCAXAJEYGM-UHFFFAOYSA-N 324.012 3.494 50 50 DGGA Cc1cc(C)c2c(CC(=O)NNC(=O)c3ccccc3)coc2c1 4820798 YSERXCHFYDFMLY-UHFFFAOYSA-N 322.364 3.053 50 50 DGGA CN(C)C(C/C=N/OCc1cccc(Cl)c1)=C(C#N)C#N 5524784 PVKMTRMFEGNZKM-FBCYGCLPSA-N 302.765 3.095 50 50 DGGA Cc1ccc(C)c(NC(=O)C(=O)NN=C2CCCCCC2)c1 5016806 LJTNAQRZRJFQAB-UHFFFAOYSA-N 301.390 3.068 50 50 DGGA COc1cccc(/C=N\NC(C)=O)c1OC/C=C/c1ccccc1 15934427 RKQPNWZBHADUPU-VSYZJNMKSA-N 324.380 3.257 50 50 DGGA O=C(N/N=C/C=C/c1ccco1)c1cc(-c2ccccc2)n[nH]1 2453334 CTIWDZKPHMBWNV-HGBXGJOCSA-N 306.325 3.099 50 50 DGGA CCOC(=O)c1cc(Cl)nc(Cl)c1CBr 116572152 BDUOJIQTMXHTOI-UHFFFAOYSA-N 312.978 3.460 50 50 DGGA COCCC[C@@H]1CCCCN1C(=O)Oc1ccc([N+](=O)[O-])cc1 205597162 XVBRVSAGMWRVCK-ZDUSSCGKSA-N 322.361 3.375 50 50 DGGA in-vitro CCOc1ccc(/C=N/NC(=O)C2CCCCC2)cc1OC 62645 ZFFQPFSARSUPBY-LDADJPATSA-N 304.390 3.124 50 50 DGGA CCOc1ccccc1/C=N/NC(=O)Cc1ccc(Cl)cc1 436821 NFOYIOREMBMAFF-XDHOZWIPSA-N 316.788 3.432 50 50 DGGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(C(C)(C)C)[nH]n1 8816945 FELKRIVGYPOGKE-VXLYETTFSA-N 323.400 3.261 50 50 DGGA CC1(C)OB(c2ccc(CBr)cc2F)OC1(C)C 169746313 QOCYLABQSVWXGE-UHFFFAOYSA-N 314.991 3.020 50 50 DGGA CCc1ccc(CN(Cc2cnn(C)c2C)C(=O)CCl)cc1 1875374251 HGUGOECZQQOZLD-UHFFFAOYSA-N 319.836 3.059 50 50 DGGA N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 144250 MOSLLERFCQWUHO-VAWYXSNFSA-N 318.336 3.311 50 50 DGGA C[C@@H]1C[C@@]2(C)C[C@@H](C(=O)O2)[C@@H]1C(=O)OCCCCCCCl 825426669 YHTZQESDEKCPIF-JXFSHQFZSA-N 316.825 3.307 50 50 DGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 40203 HRSWBJYTQLPHAE-UHFFFAOYSA-N 312.075 3.170 50 50 DGGA CCC[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1 446626 RLSTUYJJGIQXEZ-MRXNPFEDSA-N 302.310 3.254 50 50 DGGA COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1 2268037 CBMJBNCXWAAMBS-INIZCTEOSA-N 324.380 3.146 50 50 DGGA ClC[C@@]12[C@H]3[C@H]4[C@@H]5[C@@H]6[C@@H]7[C@H]8[C@H]9[C@H]%10[C@@H]([C@H]%11[C@H]9[C@H]([C@H]85)[C@H]4[C@H]%111)[C@H]2[C@H]([C@@H]63)[C@H]7%10 257359079 YHQOAURTASZOQU-BJUABIOASA-N 308.852 3.069 50 50 DGGA N#CC1=C(C2CC2)C[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C1N 4946604 KZBCDLFVAUCPJL-AWEZNQCLSA-N 306.325 3.049 50 50 DGGA C/C(=N\NC(=O)CCCc1cc2ccccc2[nH]1)c1ccncc1 4989663 QQJFZWUOQAPQEO-HYARGMPZSA-N 320.396 3.426 50 50 DGGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccco4)c32)cc1 6788537 RWVUEBFOKBGAAM-AWEZNQCLSA-N 318.336 3.196 50 50 DGGA N#Cc1cccc([C@@H]2CN(C(=O)CCl)Cc3ccccc32)c1 1875387030 KKJBJMPUNLISGA-KRWDZBQOSA-N 310.784 3.271 50 50 DGGA C[C@@H](Cl)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 1875377646 JRNMGEMHFGGEEU-LLVKDONJSA-N 303.793 3.452 50 50 DGGA O=C(CCl)NCc1csc(Cc2ccc(Cl)cc2)n1 1875375188 UHUWPNWBBIYOPX-UHFFFAOYSA-N 315.225 3.242 50 50 DGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccsc1 198625 RGLBXTCKGRPLSF-CYBMUJFWSA-N 322.345 3.073 50 50 DGGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccccc1 5024274 QYHWCXWIVAVDSM-HNNXBMFYSA-N 314.348 3.295 50 50 DGGA COC(=O)c1cc(Br)ccc1CBr 39342710 UVIJBFVFEGZZLQ-UHFFFAOYSA-N 307.969 3.131 50 50 DGGA in-vitro CC(C)(C)OC(=O)NCCCCCI 140459690 ARXOWAUDEJFDNC-UHFFFAOYSA-N 313.179 3.116 50 50 DGGA Cc1cccc2nc(C3CCN(C(=O)[C@H](C)Cl)CC3)oc12 1875377313 BSOYUDRJBSPQMO-NSHDSACASA-N 306.793 3.470 50 50 DGGA O=C(NNC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1 357737 VXWMAHVIGLTVHH-UHFFFAOYSA-N 304.737 3.198 50 50 DGGA Cc1ccc(F)c(NNC(=O)c2ccc(NC(C)C)nc2)c1 150840729 HCCICHVWDFLJSI-UHFFFAOYSA-N 302.353 3.106 50 50 DGGA CCCC/C(CC)=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4989990 UJZAORQJSYZFCQ-PTNGSMBKSA-N 322.321 3.189 50 50 DGGA CCOc1ccc(/C=N/NC(=O)C2CCCC2)c(OCC)c1 15934477 VKXUFOYEDJMJQV-LDADJPATSA-N 304.390 3.124 50 50 DGGA CC(C)[C@@H]1C(C#N)=C(SCC#N)NC2=C1C(=O)CC(C)(C)C2 2275326 ABQNFVZFWGJHEB-CQSZACIVSA-N 315.442 3.497 50 50 DGGA COc1ccc([C@@H]2CCN(C(=O)[C@H](F)Cl)[C@@H]2C)cc1F 2325898027 PWMRRPHAPNLGTF-JQEORGNBSA-N 303.736 3.073 50 50 DGGA CCc1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1 181257 UHKIYUNPLBKMPF-FYJGNVAPSA-N 320.396 3.139 50 50 DGGA O=C(CN1CCCCC1)NN(Cc1ccccc1)c1ccccc1 292150 JWAHHLZNABIIDF-UHFFFAOYSA-N 323.440 3.210 50 50 DGGA CCCC(=O)NNC(=S)Nc1cccc(Cl)c1Cl 6397623 PLGURMBBQODCMO-UHFFFAOYSA-N 306.218 3.111 50 50 DGGA Cc1cc(C)cc(O[C@@H](C)C(=O)NN=Cc2cccs2)c1 238900770 JUUCJQFTSNXGKF-ZDUSSCGKSA-N 302.399 3.283 50 50 DGGA O=C(CN1CCCCCCC1)N/N=C/c1cccc(Cl)c1 4990696 PLHLDXQKKOXQSJ-LDADJPATSA-N 307.825 3.056 50 50 DGGA O=C(Nc1ccc2oc(C(F)(F)F)cc(=O)c2c1)[C@H](F)Cl 2325897704 FIWXJKICKKKPKV-JTQLQIEISA-N 323.629 3.285 50 50 DGGA O=C(N/N=C/c1ccccc1Br)c1cccs1 253344 BCRISDPSMKUXTB-RIYZIHGNSA-N 309.188 3.275 50 50 DGGA CCc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 11582374 LYTKBKKQPXWFQR-HNNXBMFYSA-N 310.397 3.475 50 50 DGGA O=C(NN=C(c1ccccc1)c1ccccc1)c1cccnc1 10129860 LYWOLLFRTPZXFK-UHFFFAOYSA-N 301.349 3.264 50 50 DGGA C[C@H](Cl)C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 74941425 DWTOGMVSSJGOND-ZETCQYMHSA-N 311.750 3.284 50 50 DGGA Cc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1 232608 UQWAGUBAXNSOHA-XDHOZWIPSA-N 304.353 3.149 50 50 DGGA Cc1ccsc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1Cl 259541 XPRVUIOOMARIBZ-VIZOYTHASA-N 323.761 3.382 50 50 DGGA CC[C@H](Br)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 61489479 VROIWCVOJBKUTA-QMMMGPOBSA-N 301.140 3.015 50 50 DGGA Cc1cccc2c(C(=O)NN)cc(-c3ccc(Cl)cc3)nc12 6318461 LLSUZNKOPSQNHF-UHFFFAOYSA-N 311.772 3.467 50 50 DGGA CC[C@@H](Br)C(=O)Nc1cc(Cl)ccc1OC 32919705 KOLZULFDJDEYMW-MRVPVSSYSA-N 306.587 3.461 50 50 DGGA Cc1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1Cl 106632 OSDNTKGWFOVUJU-UHFFFAOYSA-N 319.817 3.280 50 50 DGGA CC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 1672800 DQQMRIMUYWACAY-UWVGGRQHSA-N 305.997 3.475 50 50 DGGA O=C(N/N=C/c1cccs1)c1cc(-c2ccc(F)cc2)n[nH]1 9324581 AMBYHXLEYVBZHA-RQZCQDPDSA-N 314.345 3.041 50 50 DGGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1cccs1 17729855 KJUWFGBABYASKN-OQLLNIDSSA-N 316.411 3.354 50 50 DGGA N#CC1=C(S)N(c2ccc(F)cc2)C2(CCCCC2)NC1=O 4116944 PDZNUYPGXCZLNO-UHFFFAOYSA-N 317.389 3.087 50 50 DGGA CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1 32303365 WLKOCYWYAWBGKY-UYRXBGFRSA-N 311.385 3.002 50 50 DGGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccco4)c32)cc1 6788559 RWVUEBFOKBGAAM-CQSZACIVSA-N 318.336 3.196 50 50 DGGA N#Cc1cc(CBr)c(C#N)cc1CBr 116592146 IBVXNROAOGBZRW-UHFFFAOYSA-N 313.980 3.220 50 50 DGGA CN(C)c1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1 3899757 CUUQXRFFSDGPLG-SDNWHVSQSA-N 316.364 3.466 50 50 DGGA CC1(C)[C@H]2CC[C@@]1(CBr)C(=O)[C@H]2Br 100658656 XNGJUGUTYMLWIM-MHYGZLNHSA-N 310.029 3.150 50 50 DGGA C/C(=N\NC(=O)Cc1cccn1C)c1cccc2ccccc12 4904591 PRIMLAREJQXMDC-XSFVSMFZSA-N 305.381 3.261 50 50 DGGA O=C(N/N=C/c1ccc(F)cc1)c1ccc2ccccc2c1O 6244025 ZZKPEEIORVEQOQ-RGVLZGJSSA-N 308.312 3.448 50 50 DGGA C=CCOc1ccccc1/C=N/NC(=O)COc1ccccc1C 2903399 PHLSIJHSMGYNSI-DEDYPNTBSA-N 324.380 3.089 50 50 DGGA COc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1 545752 PUAREPRHJLQERF-XDHOZWIPSA-N 305.337 3.007 50 50 DGGA O=C(Cc1cccs1)N/N=C/c1ccccc1Br 553893 HBHOLFJCYAYYLQ-OQLLNIDSSA-N 323.215 3.203 50 50 DGGA C/C(=N\NC(=O)Cc1cccn1C)c1ccc2ccccc2c1 12561163 NUMMINVRMVSPEQ-XSFVSMFZSA-N 305.381 3.261 50 50 DGGA O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1 1115 JCKYGMPEJWAADB-UHFFFAOYSA-N 304.217 3.378 50 50 DGGA biogenic,fda O=C1c2ccccc2C(=O)C1(CBr)c1ccccc1 3159116 KBWSNLPSTGJOAY-UHFFFAOYSA-N 315.166 3.399 50 50 DGGA CC1(C)CCC2=C(C1=O)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 408245 LMPZPIZHBIEQBK-AWEZNQCLSA-N 312.344 3.277 50 50 DGGA Cc1csc(NC(=O)NNc2nc(C(F)(F)F)cs2)n1 127036032 BPVYGGNWHGLGOM-UHFFFAOYSA-N 323.325 3.075 50 50 DGGA O=[N+]([O-])c1cc(F)cc(CBr)c1Br 169801390 PTKTUCLNNJGCEG-UHFFFAOYSA-N 312.920 3.391 50 50 DGGA O=C(CCl)N[C@@H](COc1ccccc1F)c1ccccc1 1341509570 ILXQGCFGRKTOPO-AWEZNQCLSA-N 307.752 3.301 50 50 DGGA CC[C@H](C)[C@H](CO)NC(=O)CCCC[C@H]1CCSS1 606440343 FFSFYCIXUSGUIK-AVGNSLFASA-N 305.509 3.224 50 50 DGGA C=CCc1cccc(/C=N/NC(=O)c2ccccc2OCC)c1O 237337 LDZJDVDPRDHPDZ-DEDYPNTBSA-N 324.380 3.283 50 50 DGGA CC(C)(C)c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 288973 CUCSPDBONVVSEN-JMPLCFMRSA-N 312.413 3.186 50 50 DGGA Cc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1 566537 QYPUKRBEVGXRMG-VCHYOVAHSA-N 302.761 3.178 50 50 DGGA CC/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(O)cc1 4991831 BDTXTQUDHVCGOB-FMVUODCNSA-N 308.381 3.426 50 50 DGGA O=C(N/N=C/[C@@H]1CC=CCC1)c1cc(Br)ccc1O 431498 HVDMYXJBUPVNFP-VCBXAZPMSA-N 323.190 3.227 50 50 DGGA Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccco3)[nH]n2)cc1 5126214 AJVHVWQVSYMGFY-UCBGLXEOSA-N 320.352 3.407 50 50 DGGA O=C(NNc1ccccc1)C(O)(c1ccccc1)c1ccccc1 62707 KVBUFHUOCVHKGF-UHFFFAOYSA-N 318.376 3.066 50 50 DGGA Cc1ccc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)cc1 529422 WQDRVAVOOCYXAA-UGVMZYNRSA-N 320.396 3.131 50 50 DGGA CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)CCl)C1 2080383909 BWVQFRRTKAQWDD-AWEZNQCLSA-N 317.820 3.241 50 50 DGGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1 8816900 YHPNTUWFRSDREG-YBFXNURJSA-N 324.771 3.494 50 50 DGGA O[C@@H](CCl)COc1cccc2c(F)c(F)c(F)c(F)c12 3075565 HSMODIDWEHUKFI-LURJTMIESA-N 308.658 3.375 50 50 DGGA Cc1cccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 251013 FGAWJOWSCBBTDP-RQZCQDPDSA-N 317.732 3.321 50 50 DGGA C[C@@H](Cl)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 1875377946 RWSFCYPKQILHCH-ZJUUUORDSA-N 320.742 3.028 50 50 DGGA CC(C)Oc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 373857 FKUIWNXYLIOBBD-UHFFFAOYSA-N 321.380 3.293 50 50 DGGA C#CCC/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 83333841 IRELROQHIPLASX-SEYXRHQNSA-N 308.259 3.393 50 50 DGGA investigational CC1CCC2(CC1)NC(=O)C(C#N)=C(S)N2c1ccccc1 1893330 JQNHRAQLKCUEJR-UHFFFAOYSA-N 313.426 3.194 50 50 DGGA O=C(O)c1cc(NC(=O)[C@H](Cl)c2ccccc2)ccc1O 74941560 AZRLVZKACVVADB-CYBMUJFWSA-N 305.717 3.009 50 50 DGGA CSc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1 431879 ISILJCXLJSFIDV-WOJGMQOQSA-N 314.410 3.246 50 50 DGGA CC(C)Oc1ccccc1/C=N/NC(=O)c1ccc(F)cc1 371407 CNDZFSMGXKGOPV-YBFXNURJSA-N 300.333 3.377 50 50 DGGA CCCCCCCC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 2865036 AQYQNXZFQHFXAQ-HZPDHXFCSA-N 302.418 3.298 50 50 DGGA CC(/C=N/NC(=O)[C@@H]1COc2ccccc2O1)=C\c1ccccc1 4674567 DOCFOYGITMTOMR-SPXOVNLXSA-N 322.364 3.032 50 50 DGGA CSc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 58718 ODUWWRMAWVFCNY-HNNXBMFYSA-N 312.394 3.223 50 50 DGGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(O)cc1 510690 OLQPMZMRBAKNFY-UDWIEESQSA-N 320.348 3.075 50 50 DGGA C[C@H](O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011018 GWIVKYPOQRMFCN-SFHVURJKSA-N 321.380 3.361 50 50 DGGA C/C(=N\NC(=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1 1875253626 GJWAQTXGOBXTKT-FBCYGCLPSA-N 312.213 3.498 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@@H]2CCCC=C12 143298 GLTPZAGLCSGAKP-NVXWUHKLSA-N 300.365 3.280 50 50 DGGA COc1ccc(C(=O)N/N=C(\C)[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 105213778 ZEQULRLHFNCTKT-HKNBXAJWSA-N 316.401 3.246 50 50 DGGA CC(C)(C)C(=O)N/N=C/c1c(F)ccc2sc(C(=O)O)cc12 1875298924 SBHYXFCWMHRQRJ-REZTVBANSA-N 322.361 3.235 50 50 DGGA Cc1[nH]nc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2 8845696 ZCLQCDNEWGXHBY-LBPRGKRZSA-N 321.167 3.243 50 50 DGGA C/C(CCc1ccccc1)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 12342896 REDAXKHWQYBAMB-AQTBWJFISA-N 311.341 3.333 50 50 DGGA O=C(CCl)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 2537650 GFRUREKFCRJOAY-UHFFFAOYSA-N 318.591 3.416 50 50 DGGA O=P(c1ccccc1)(c1ccccc1)[C@H](O)c1ccccn1 159140 URNAXILXPISJJH-SFHVURJKSA-N 309.305 3.087 50 50 DGGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 9008752 VBBHFZUCFLQGTG-XDHOZWIPSA-N 304.353 3.149 50 50 DGGA C[C@@H](Cl)C(=O)N1CCN(c2cccc(Cl)c2)C[C@H]1C 1875380006 BXZXMWTYJKUGKH-GHMZBOCLSA-N 301.217 3.004 50 50 DGGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)s1 232592 AYFTVHKLJZEJLV-LICLKQGHSA-N 310.382 3.211 50 50 DGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2F)[C@H]2CCCC=C12 70909 NYNRIBXMORSIQA-SUMWQHHRSA-N 318.355 3.419 50 50 DGGA O=C(CBr)c1ccc(F)c(Br)c1F 258837155 READNKONIKOFDY-UHFFFAOYSA-N 313.923 3.305 50 50 DGGA O=C(CCCl)Nc1ccccc1C(=O)NCc1ccccc1 5736851 FQEGOCYILGUECQ-UHFFFAOYSA-N 316.788 3.184 50 50 DGGA O=C(N/N=C\c1cccs1)c1sccc1-n1cccc1 5949372 VLIXWSAXCYRWFX-GDNBJRDFSA-N 301.396 3.364 50 50 DGGA C/C=C1\C[N@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)N(C)c1ccccc14 252461282 LUFYNCYNXSSUJL-OPFUSAPNSA-N 321.444 3.026 50 50 DGGA biogenic Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CCl 1875374969 MCRXNGPNRDMTSU-UHFFFAOYSA-N 301.733 3.231 50 50 DGGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 293130 NGEWDLDNYWRLGL-CXUHLZMHSA-N 303.705 3.012 50 50 DGGA COC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]1CCCCO1 198018541 RPLZTINCNFPQBI-OLZOCXBDSA-N 318.486 3.093 50 50 DGGA COc1ccc(S(=O)(=O)C[C@H](Cl)c2ccccc2)cc1 246292 VPZCQBGYVSIRAB-HNNXBMFYSA-N 310.802 3.449 50 50 DGGA CSc1ccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1 432890 DPXKLRULXAFPNV-LDADJPATSA-N 313.426 3.238 50 50 DGGA O=C(NNC(=O)c1ccccc1)Nc1c(Cl)cccc1Cl 2142484 IDOHHEQKFBIQOY-UHFFFAOYSA-N 324.167 3.460 50 50 DGGA COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2O)cc1 5720398 CKLAMRVOXAEJIJ-UDWIEESQSA-N 320.348 3.318 50 50 DGGA Cc1ccccc1NCC(=O)N/N=C\c1ccccc1Cl 32606144 FFWJBJCLMLVONA-GRSHGNNSSA-N 301.777 3.211 50 50 DGGA COc1cc2c(cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1)OCO2 16319801 JSSCCAPFVISXOT-MLPAPPSSSA-N 324.292 3.396 50 50 DGGA O=C(Nc1cnc2ccc(Br)cc2c1)[C@@H](F)Cl 2325897682 DOTDNVFIZGMMKN-SNVBAGLBSA-N 317.545 3.470 50 50 DGGA CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@H](O)c1ccccc1 12343065 RXKNNFMGBFFSNS-FARKEOSFSA-N 320.392 3.482 50 50 DGGA ON=Cc1ccccc1P(c1ccccc1)c1ccccc1 257373347 XHIVESUSSLEMGJ-UHFFFAOYSA-N 305.317 3.253 50 50 DGGA O=C(CCl)N[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 1875378102 VRVCDROBMRWGDL-SDBXPKJASA-N 322.619 3.426 50 50 DGGA CC(C)c1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 227238 LCDOHYBDFVFXQF-VCHYOVAHSA-N 305.381 3.428 50 50 DGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccs1 36185 DWRDVOZZROOHRX-ZDUSSCGKSA-N 300.383 3.199 50 50 DGGA CCOc1ccc(C(=O)N/N=C(/CC)c2ccc(O)cc2)cc1 4991922 LOXUITFYZVZSGO-ZPHPHTNESA-N 312.369 3.335 50 50 DGGA Cc1ccc(OCC(=O)N/N=C/c2cccc3cccnc23)cc1 435100 YPEWEXPQGWOGHJ-CIAFOILYSA-N 319.364 3.072 50 50 DGGA O=C(NNC(=O)c1ccco1)Nc1ccc(Cl)c(Cl)c1 5005476 YMPPYMBHQCOPFO-UHFFFAOYSA-N 314.128 3.053 50 50 DGGA C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc2c(c1)CCCC2 12343071 RZUDXJWGJIEOBW-KNGGAZFVSA-N 322.408 3.139 50 50 DGGA O=C(N/N=C/C=C/c1ccco1)c1ccc(-n2cccc2)cc1 2795044 YGHPYFYDESKZSQ-GRKKMJAJSA-N 305.337 3.499 50 50 DGGA