smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)[C@H]1C(=O)C=C(N2CCOCC2)C[C@@H]1c1ccccc1 227646 GNBGVXYUAWIXRL-SJLPKXTDSA-N 329.396 2.138 30 50 EEEA Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](CN2CCOCC2)C1 120233864 JHWFQTXHSUAASQ-MRXNPFEDSA-N 328.416 2.053 30 50 EEEA C[C@H]1OCCN(Cc2cc(C#N)n(C)c2)[C@@H]1c1nc(C2CC2)no1 284647549 PDWLQUOIKNBUHR-ABAIWWIYSA-N 327.388 2.119 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C)OC1CCCC1 170627071 AZJUEIXMRFNNSM-GFCCVEGCSA-N 336.413 2.019 30 50 EEEA C=CC(C)(C)OC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 12381804 SOFNLLORXHVROU-QGZVFWFLSA-N 334.460 2.159 30 50 EEEA C=CCN1CCN(C(=O)COc2ccc(Br)cc2)CC1 20160902 WAPVNQJDXMIBHH-UHFFFAOYSA-N 339.233 2.158 30 50 EEEA C[C@@H](Oc1cccnc1)/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328634653 MVWIUZUDMFBLSF-LRVUVFPRSA-N 347.415 2.133 30 50 EEEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1cc(C2CC2)n[nH]1 77424341 QUQBHMGNABAXNN-LBPRGKRZSA-N 349.394 2.036 30 50 EEEA N#Cc1c(CN2CCc3ccccc3[C@H]2C(N)=O)cn2ccccc12 373955402 VJYWSPFLTICCMG-IBGZPJMESA-N 330.391 2.396 30 50 EEEA CC(=O)N1CSC[C@@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 371410812 VAGWKUFQPNFDPF-QGZVFWFLSA-N 341.436 2.095 30 50 EEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1nccnc1C#N 328631280 QTIHGXVTMQQREF-JTQLQIEISA-N 336.321 2.262 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)N=N1 952880469 GKICIFUHALOBAP-BZUAXINKSA-N 330.432 2.105 30 50 EEEA CS(=O)(=O)[C@@H]1CCCN(c2ccc(C#N)cc2Br)C1 274100183 WFUSJDTUDLDSKE-LLVKDONJSA-N 343.246 2.334 30 50 EEEA CC/N=C(/O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 328592515 RONXRNPCXYJHAA-UHFFFAOYSA-N 335.429 2.125 30 50 EEEA N=C(O)c1cnn2c1C[C@H](C/N=C(/O)c1conc1C1CC1)CC2 329092841 AUJCXNPBDMVLRY-SECBINFHSA-N 329.360 2.199 30 50 EEEA C=C(CNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1)c1ccccc1 352192293 KSIJCKKWPQYRHS-UHFFFAOYSA-N 347.392 2.385 30 50 EEEA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1CCOc1ccccc1C#N 284693380 FXUKXLQWZGQUJP-ZHALLVOQSA-N 330.428 2.453 30 50 EEEA CC[C@H]1CCc2nc(N)c(C#N)c(-c3cn(CCO)nc3C)c2C1 71764265 PQKPAPSJNXBWBU-LBPRGKRZSA-N 325.416 2.215 30 50 EEEA N#Cc1c(N)nc2c(c1-c1cnc(-c3ccco3)nc1)C[C@H](N)CC2 71479564 YGYPNUZAXHTDII-LLVKDONJSA-N 332.367 2.068 30 50 EEEA Cn1ccc(N2CCC[C@H](O/N=C3/CCOc4ccccc43)C2=O)n1 170642612 COARIBBOHREUBJ-IEOAWGNMSA-N 340.383 2.119 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2cccc(F)c2C#N)C1 328611455 LRTXMMZHIZACQT-MRXNPFEDSA-N 329.335 2.471 30 50 EEEA Cc1ccc(N2CCCN(c3nc4ccccn4c3C#N)CC2)nn1 241277716 LIOOQOVETGGFAL-UHFFFAOYSA-N 333.399 2.021 30 50 EEEA N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)nc1 91575411 VSAJPTDLFJRBRQ-DZGCQCFKSA-N 339.424 2.037 30 50 EEEA C#CCCC1(CCC(=O)N[C@](C)(CC(=O)O)c2ccncc2)N=N1 952876165 DAFZFNBABAFVAQ-MRXNPFEDSA-N 328.372 2.243 30 50 EEEA Cn1nccc1C(=O)O[C@H]1CCCN(c2ccc(F)cc2C#N)C1 170608673 VSEGUQJNYHQYMG-AWEZNQCLSA-N 328.347 2.257 30 50 EEEA N#Cc1ccc(CN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)s1 328628262 HCFMECIALHXKBN-ZDUSSCGKSA-N 343.412 2.232 30 50 EEEA Cc1oc(C#N)cc1C(=O)N1CCN(Cc2cccc(O)c2)CC1 331238836 VVJFATPIWWZAKT-UHFFFAOYSA-N 325.368 2.123 30 50 EEEA C#CCCC1(CCC(=O)N[C@H](C(=O)OC)[C@@H]2C[C@H]3CC[C@H]2C3)N=N1 2325892888 OYIWXKZMRZPGLW-AYDFFVQHSA-N 331.416 2.436 30 50 EEEA CC#CC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 253392354 XXAOVGIGFUVYRJ-ZDUSSCGKSA-N 335.201 2.002 30 50 EEEA Cn1cnnc1[C@@H]1CN(C/C(O)=N/CCC2=CCCCC2)CCO1 328644521 RSKKEXQOVJJIEJ-HNNXBMFYSA-N 333.436 2.035 30 50 EEEA N#C[C@H]1CN(Cc2c[nH]nc2-c2ccccc2F)CCN1C1CC1 371326477 JAHHIIWTDRLDNS-HNNXBMFYSA-N 325.391 2.388 30 50 EEEA COc1cccc(/C=N\NS(=O)(=O)c2ccc(C)cc2C)c1O 17068798 LNBYRTJNNMDSRH-YVLHZVERSA-N 334.397 2.330 30 50 EEEA Cn1cc([C@@H]2CN(c3cc(C#N)c4ccccc4n3)C[C@H]2CO)cn1 299750757 OGXMLROWMAQISH-RDJZCZTQSA-N 333.395 2.052 30 50 EEEA CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(C)c(F)c(C(=O)O)c1 127624638 QHRZCSVFDWVGLJ-SECBINFHSA-N 328.365 2.003 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)N=N1 952883319 YTVYACNWFJZJFY-CQSZACIVSA-N 340.431 2.286 30 50 EEEA C#CCCC1(CCNC(=O)Cc2ccccc2O[C@@H]2CCOC2)N=N1 2325891355 BDCSGDBYKZFRRM-MRXNPFEDSA-N 341.411 2.479 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc([N+](=O)[O-])c1 283344 LBFROITUFGMIMA-OAHLLOKOSA-N 339.307 2.479 30 50 EEEA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C#N)c2)cc1 514529 ULYXVHKJDJVGFJ-UHFFFAOYSA-N 343.408 2.126 30 50 EEEA NC(=C(C(=O)c1ccccc1)C(=O)c1ccccc1)c1nonc1N 100706670 ARHVLCFNJDSMNR-UHFFFAOYSA-N 334.335 2.087 30 50 EEEA COc1cc(CC/C(O)=N/CCCc2nc[nH]n2)cc(OC)c1OC 328593667 VQARLNVBHUMLLF-UHFFFAOYSA-N 348.403 2.352 30 50 EEEA N#CCCn1ccc(NC(=O)Nc2nc3ccc(Cl)cn3n2)n1 170605390 YGIYEARZHZZPNB-UHFFFAOYSA-N 330.739 2.137 30 50 EEEA Cn1cc(CN2CCC[C@@H](c3nc[nH]n3)C2)c(-c2ccc(C#N)cc2)n1 378501770 WTTQIPSZLPKLAY-MRXNPFEDSA-N 347.426 2.456 30 50 EEEA C[C@@H](CC#N)N(C)S(=O)(=O)N1CCc2c(Cl)cc(F)cc2C1 296246544 PEIHMCRHLBUFHA-JTQLQIEISA-N 345.827 2.316 30 50 EEEA COc1ccc2nc(SCC(=O)N(CCC#N)CCC#N)[nH]c2c1 5396615 XUSZSSCCXGZBMN-UHFFFAOYSA-N 343.412 2.320 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)N=N1 1775994897 OUOXWXPDFRPMPR-UXLLHSPISA-N 333.432 2.121 30 50 EEEA COC(=O)CCC(C#N)(CCC(=O)OC)c1ccc(OC)c(OC)c1 2154679 DVVFXLDMZOPUKO-UHFFFAOYSA-N 349.383 2.372 30 50 EEEA C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OCC)C2=O)cc1 4694613 WFXFJRSQNRPFEJ-GXDHUFHOSA-N 345.376 2.298 30 50 EEEA C=C(C)COc1cccc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)O)c1 55199533 HWMAKPLEUVEIRG-INIZCTEOSA-N 341.367 2.016 30 50 EEEA Cc1nnsc1C/N=C(/O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 330222257 MFVAQYQVOMSIJD-TZMCWYRMSA-N 335.477 2.209 30 50 EEEA N#Cc1cc2c(=O)n(CCCCN3CCCCCC3)ccc2[nH]c1=O 67934103 QBHWDSBJJXWUJS-UHFFFAOYSA-N 340.427 2.218 30 50 EEEA CCN(CCOc1cccc(C)c1)C(=O)Cc1n[nH]c(/N=C(/C)O)n1 65381693 GMIZHNNRBLXQNW-UHFFFAOYSA-N 345.403 2.191 30 50 EEEA COc1cc(C#N)ccc1OCCN1CCOC2(CCOCC2)CC1 364260640 JRWAKAJICQQRLT-UHFFFAOYSA-N 346.427 2.217 30 50 EEEA N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 281342914 KAGKQELITYIBTE-QRVBRYPASA-N 341.455 2.190 30 50 EEEA COc1cc(S(=O)(=O)NCc2cc(C#N)ccc2F)ccc1F 190723661 CHOXSSCWABJLGT-UHFFFAOYSA-N 338.335 2.324 30 50 EEEA Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 191242052 HRPDICNFHHRXMJ-INIZCTEOSA-N 337.427 2.451 30 50 EEEA Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccnc(C#N)c2)cc1 193468163 HJBHAPKDUIKZOE-UHFFFAOYSA-N 331.335 2.170 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](C(=O)OC)C2=CC[C@H]3C[C@H]3C2)N=N1 2325892842 JPBNXTOSKGJKLR-DUVNUKRYSA-N 329.400 2.356 30 50 EEEA CC(C)(C(=O)N[C@@H](C#N)c1ccccc1Cl)S(=O)(=O)C1CC1 252489184 JJDFEYGHNJPPSU-ZDUSSCGKSA-N 340.832 2.377 30 50 EEEA C#C[C@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 291780549 XGGOHMAMBFCPSQ-HZMBPMFUSA-N 334.338 2.314 30 50 EEEA C=CCN1C[C@@H](C(=O)NC(C)(C)c2ccc(OC)c(OC)c2)CC1=O 820474773 CHDCYXJKJUOTEF-ZDUSSCGKSA-N 346.427 2.090 30 50 EEEA C=CCn1c(=O)c(CNCCn2cncn2)cc2cc3c(cc21)CCC3 15072732 XGYYZWZLJSKOLO-UHFFFAOYSA-N 349.438 2.058 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 4725390 DUXJWQWXZRQBIK-UHFFFAOYSA-N 345.311 2.089 30 50 EEEA Cc1cc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)on1 141601337 FTBOJGCCDOCVMH-UHFFFAOYSA-N 343.362 2.026 30 50 EEEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](NCCNc1ccccc1)C2 67674847 GYOLIEFIZZMSRP-OAHLLOKOSA-N 340.427 2.326 30 50 EEEA C#CCN(CC#N)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 328587899 IKLCUHGXGGWHBR-KRWDZBQOSA-N 337.423 2.141 30 50 EEEA CC1(C)CN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@@]2(CCOC2)O1 373631115 ZDKAKTXUZYKUQL-LJQANCHMSA-N 340.423 2.386 30 50 EEEA COc1ccccc1N1CCN(C(=O)c2ccc(C#N)nc2)[C@H](C)C1 72411249 STYJYIPIAWSTIG-CQSZACIVSA-N 336.395 2.313 30 50 EEEA Cc1ccccc1CN1CC[C@H](CNC(=O)c2cc(C#N)cn2C)C1 299798104 VHVAAMLFRASDAF-MRXNPFEDSA-N 336.439 2.457 30 50 EEEA C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 4701849 AEPONBGLDZUAGO-SFQUDFHCSA-N 332.381 2.160 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)N=N1 1875382198 UINSKFPVILOAQR-OAHLLOKOSA-N 330.432 2.392 30 50 EEEA Cc1nnc([C@H]2CCCN(C(=O)COc3ccc(C#N)cc3)[C@H]2C)o1 886085021 VALDGBSOBKVDFI-LRDDRELGSA-N 340.383 2.423 30 50 EEEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)COC[C@H]2CCCO2)cn1 328640087 XDEBJWQBGLXRMO-HLLBOEOZSA-N 337.420 2.275 30 50 EEEA Cn1cc(C#N)c(NC(=O)c2c(F)cc(C(F)(F)F)cc2F)n1 361920122 SLBQKCBXJASHKQ-UHFFFAOYSA-N 330.216 2.841 30 50 EEEA C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC2(CCOCC2)O1 365547511 CRHKPICBYHHEEA-HNNXBMFYSA-N 340.423 2.386 30 50 EEEA N#Cc1cccc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 71775602 OWCRCIRJBITPKD-CQSZACIVSA-N 346.394 2.211 30 50 EEEA CCN(CCC#N)S(=O)(=O)NCc1ccc(Br)cc1 337095617 QKKKXKSUDLRSCY-UHFFFAOYSA-N 346.250 2.019 30 50 EEEA N#Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)c1 91270326 LULUGNJTIHAQDU-DOTOQJQBSA-N 338.411 2.423 30 50 EEEA C=C1CC[C@H]2[C@@H](C=C(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C 585672079 SDBITTRHSROXCY-FTVYAIMMSA-N 334.456 2.233 30 50 EEEA biogenic C=CCN1C[C@H](C(=O)Nc2ccc(Cl)c(C(=O)NCC)c2)CC1=O 952961119 LSTLJXLJORCHOP-LLVKDONJSA-N 349.818 2.063 30 50 EEEA N#C[C@H]1CN(C(=O)CC[C@H]2CCCO2)CCN1Cc1ccccc1 229686864 FVCNCTTTWICQEY-ZWKOTPCHSA-N 327.428 2.182 30 50 EEEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C12CC2 169691455 BAOWMYTUKUMZDC-BUUWJTRTSA-N 337.335 2.126 30 50 EEEA COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C1CC1 365528675 SPXYSDKKDSWIGK-INIZCTEOSA-N 325.412 2.385 30 50 EEEA CC(C)(CO)CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 1565504673 FHFFLCJFGQZLLJ-UHFFFAOYSA-N 345.440 2.410 30 50 EEEA N#Cc1ccccc1C1CCN(C(=O)[C@H]2CCn3ncnc3C2)CC1 2325797034 VYZNFMMZICIRBQ-HNNXBMFYSA-N 335.411 2.118 30 50 EEEA C=C(C)COc1ccccc1C(=O)N[C@@H](C)c1nncn1CCOC 55413311 SKVANMDLBKXTIB-AWEZNQCLSA-N 344.415 2.370 30 50 EEEA CCc1cc(C(=O)NC[C@H]2CCN(Cc3cccc(C#N)c3)C2)on1 67757751 FKWWEWHHLYVCAJ-MRXNPFEDSA-N 338.411 2.361 30 50 EEEA OC(=Nc1ccccc1CN1CCN=C1O)N[C@@H]1CCO[C@@H]1C1CC1 328587435 SBMLXNMXBIFKTF-HZPDHXFCSA-N 344.415 2.119 30 50 EEEA CC(=O)Nc1ncccc1NS(=O)(=O)c1cc(C#N)ccc1C 170597595 WQNCCRJBYMSIHS-UHFFFAOYSA-N 330.369 2.021 30 50 EEEA Cn1cc(/C(O)=N/Cc2cc(C#N)ccc2F)c([C@H]2CCOC2)n1 328616383 BNTKUVZVWYLCOH-LBPRGKRZSA-N 328.347 2.440 30 50 EEEA Cc1cc(C#N)nc(N[C@@H]2CCN(c3c(F)cccc3F)C2=O)n1 376445602 CEOHKUKDIBPFRF-CYBMUJFWSA-N 329.310 2.152 30 50 EEEA Cc1ccc(C#N)c(N2CCC(c3nccn3CCN(C)C)CC2)n1 91892861 DBSXARAYRLDFRQ-UHFFFAOYSA-N 338.459 2.404 30 50 EEEA N#Cc1cnc(N[C@@H]2CCCN(c3nccnc3O)C2)c(Cl)c1 275479519 IHFUHQFSUHNMMR-LLVKDONJSA-N 330.779 2.183 30 50 EEEA C=CCN(CC=C)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C)C1=O 12098938 SECVYRPFZIQUBS-IBGZPJMESA-N 344.386 2.043 30 50 EEEA CCOP(=O)(OCC)/C(=N/OC(=O)c1ccccc1C)C(N)=O 2269802 FWEGUULLWJWDEZ-DTQAZKPQSA-N 342.288 2.217 30 50 EEEA CC(C)Cn1ncnc1CN1CCO[C@H](c2cccc(C#N)c2)C1 360676191 ZCXZDOFBBYQUBO-KRWDZBQOSA-N 325.416 2.379 30 50 EEEA CC(C)c1noc(CCNC(=O)N2Cc3cccc(C#N)c3C2)n1 1772964340 LERFNUVICFDSTD-UHFFFAOYSA-N 325.372 2.333 30 50 EEEA C#CCN1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 1776005632 MKVXDKBZMOUJAB-UHFFFAOYSA-N 325.315 2.342 30 50 EEEA C[C@@H](/C(O)=N/[C@H]1CCCC[C@H]1C)N1CCO[C@@H](c2nncn2C)C1 328648887 UUCHAQLUVHVJPQ-CBBWQLFWSA-N 335.452 2.112 30 50 EEEA C/N=C(/O)C1CCN(S(=O)(=O)C[C@H](C)COC2CCCC2)CC1 328768938 QLTCMEOABFKQOG-CYBMUJFWSA-N 346.493 2.210 30 50 EEEA Cc1nn(C)c2cc(N=C(O)N3CCOC[C@H]3[C@H]3CCCO3)ccc12 329841692 WVWRKAHKCITECV-DLBZAZTESA-N 344.415 2.307 30 50 EEEA CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)n1ccc(C(F)(F)F)cc1=O 330795203 DRLGNCQASWOLKD-YGRLFVJLSA-N 329.322 2.483 30 50 EEEA N#Cc1ccc2ncc(CN[C@@H]3CCN(Cc4ccccc4)C3=O)n2c1 375310596 RHAGQLVBWNNQPS-GOSISDBHSA-N 345.406 2.097 30 50 EEEA C=C(CNC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1)c1ccccc1 894850228 VYBMDYGFNOESEA-QGZVFWFLSA-N 348.468 2.309 30 50 EEEA Cc1nc(C#N)c(N(C)S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)o1 1775992590 UJRRVFJNLXVBJM-JTQLQIEISA-N 338.216 2.205 30 50 EEEA Cc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)ccc1C#N 282678997 WPRLXOIKESLWPP-RDJZCZTQSA-N 325.343 2.349 30 50 EEEA C[C@@H]1C[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CO1 332214202 VVEZSMXOYXRKFR-ZYHUDNBSSA-N 330.775 2.761 30 50 EEEA O/C(=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1csnn1 328636398 VLHDLUVUOCHVAE-SSDOTTSWSA-N 331.323 2.321 30 50 EEEA CN1CC[C@H](N2CCC(/N=C(/O)CCc3ccsc3)CC2)C1=O 329206499 YFMGHBIRHGNFOE-HNNXBMFYSA-N 335.473 2.332 30 50 EEEA O=C(C/N=C(/O)CCC1CCCC1)N1CC[C@H](N2CCCC2=O)C1 330144171 KQLXIBDRXXEFPG-HNNXBMFYSA-N 335.448 2.137 30 50 EEEA CN(CC(O)=Nc1ccc2scnc2c1)[C@H]1CCS(=O)(=O)C1 328697505 UQDYKXYGYLPOQF-NSHDSACASA-N 339.442 2.003 30 50 EEEA O=S1(=O)CCC[C@H](N/C(O)=N/CC2CC(c3ccccc3)C2)C1 328700843 MYMPQMNZIPTKMY-BCLQGDPASA-N 336.457 2.261 30 50 EEEA N#Cc1c(NC(=O)C(=O)NCc2ccccn2)sc2c1CCCC2 4855483 XDNNRONXAKXLQF-UHFFFAOYSA-N 340.408 2.148 30 50 EEEA O=C(C#Cc1ccccc1)Nc1ccc(C(=O)N2CCOCC2)cc1 6726608 XLLJWJRENRWPDZ-UHFFFAOYSA-N 334.375 2.149 30 50 EEEA CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1ccc(C#N)cc1 252674252 RVSHWURCJMETSX-ZWKOTPCHSA-N 349.500 2.487 30 50 EEEA CN(C(=O)CC/N=C(/O)OC(C)(C)C)[C@H]1CCO[C@@H]1c1cccnc1 328591122 VBHYNYHODWMGGI-GOEBONIOSA-N 349.431 2.489 30 50 EEEA COCCOCC/N=C(/O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 328598812 ONGSAUGDLFTYAI-LBPRGKRZSA-N 330.425 2.394 30 50 EEEA Cc1ccc(C#N)cc1NC(=O)N1CCC(n2cnnc2O)CC1 370470002 QMTOYERBTCPCKR-UHFFFAOYSA-N 326.360 2.033 30 50 EEEA Cc1nc(N2CCN(c3ccc(C#N)cc3)CC2)cc([C@H]2C[C@@H](O)C2)n1 244715797 LCLHAORVHBRWDG-MAEOIBBWSA-N 349.438 2.222 30 50 EEEA C#CCN1CCC(C(=O)N2CCN([C@@H](C)c3ccsc3)CC2)CC1 184385174 HPPXNFHNEZLPBX-INIZCTEOSA-N 345.512 2.299 30 50 EEEA C=CCNC(=S)N(CCCN1CCOCC1)Cc1ccccc1 19897844 NSNZDVNDKWPDRS-UHFFFAOYSA-N 333.501 2.271 30 50 EEEA COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 1875246870 DAAFALWSXRNVIC-CQSZACIVSA-N 340.383 2.221 30 50 EEEA CC[C@@](C)(O)c1cn([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 881338369 FYKSDSLEFSSVST-CRAIPNDOSA-N 339.399 2.135 30 50 EEEA C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1ccn2ncnc2c1 2325771900 ZXLCWLCAGJJEIE-MRXNPFEDSA-N 346.438 2.307 30 50 EEEA Cn1cc(/C(O)=N/Cc2nc3ccccc3[nH]2)c([C@@H]2CCOC2)n1 328626532 LVBOKCGFUVSCTR-LLVKDONJSA-N 325.372 2.305 30 50 EEEA CCOc1cc(Br)c(/C=N/NC(N)=S)cc1OCC 2750137 IEZHYTIDMYREGX-VIZOYTHASA-N 346.250 2.414 30 50 EEEA CC1(C)C[C@]1(C#N)NS(=O)(=O)c1ccc(Br)s1 290900754 FAHNFVBCEVVBRF-SNVBAGLBSA-N 335.248 2.481 30 50 EEEA CC(C)c1noc(CN2CC(=O)N(c3ccccc3C#N)C[C@H]2C)n1 426628231 KUPWXUWUZCHSBD-CYBMUJFWSA-N 339.399 2.302 30 50 EEEA N#C[C@H]1CN(C(=O)NCc2csc(-c3ccccc3)n2)CCO1 115831870 WVEQXDAQNRUPSS-AWEZNQCLSA-N 328.397 2.244 30 50 EEEA C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]2CC[C@H]1[C@H]3O 257551482 UCDVIBNDYLUWFP-QHUMMBGDSA-N 332.440 2.275 30 50 EEEA biogenic CCOC(=O)C1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1 555758 ZEIAFCTYIKEOLP-UHFFFAOYSA-N 339.395 2.315 30 50 EEEA C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)NCC 6745226 AARADWJPINCBTE-UHFFFAOYSA-N 346.387 2.471 30 50 EEEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(C#CCO)s1 71764445 CCHNDIPQSBDXGY-UHFFFAOYSA-N 349.419 2.317 30 50 EEEA Cn1cc(C#N)cc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 222236374 ZGESZNXAGRGVFU-NBMJBFSESA-N 335.407 2.273 30 50 EEEA C=C(C)COc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(C)C)cc1 952961658 OWBNYYAMLIVIIU-KRWDZBQOSA-N 345.443 2.179 30 50 EEEA C#CCCC1(CCC(=O)Nc2cccc(N3CCN(C)CC3)n2)N=N1 2325900045 IVWSEBPVIXWBJE-UHFFFAOYSA-N 340.431 2.128 30 50 EEEA O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc(F)c1)c1ccccc1 6446215 UINQEVMAAHSJDJ-INIZCTEOSA-N 341.338 2.396 30 50 EEEA CC(C)NS(=O)(=O)Cc1ccc(CNc2ccc(C#N)nc2)cc1 170654128 YXTJHGOLPDTQPE-UHFFFAOYSA-N 344.440 2.393 30 50 EEEA CN1CC[C@H](N2CCC(/N=C(/O)C3CCC(F)(F)CC3)CC2)C1=O 329165981 HUSORAXDPNLHBE-AWEZNQCLSA-N 343.418 2.464 30 50 EEEA C=CCN1CC[C@@H](N(C)C(=O)Nc2cnn([C@H](C)C3CC3)c2)C1=O 253425315 CHROXKZECUJAOA-IUODEOHRSA-N 331.420 2.105 30 50 EEEA C[C@H](/C(O)=N/C12CC3CC(CC(C3)C1)C2)N(C)[C@H]1CCN(C)C1=O 329097735 YNEOSBKXDXXAKN-HBVLHIRESA-N 333.476 2.463 30 50 EEEA OC(=Nc1nccs1)[C@@H]1CCCN1Cc1nnc2n1CCCC2 329703719 IZHBKJQGFLXNAW-NSHDSACASA-N 332.433 2.324 30 50 EEEA C[C@H](CO)N1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 241439853 NMUJBVAZRYVNJM-GFCCVEGCSA-N 327.350 2.470 30 50 EEEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H](C2(C)OCCO2)C1 408515526 CNFPLWVCLBLFJP-PMPSAXMXSA-N 338.448 2.152 30 50 EEEA C=C(C)CN1CCC(NC(=O)N2CC[C@@H](C3CCOCC3)C2)CC1 253400407 DORBECDCDBCNAD-QGZVFWFLSA-N 335.492 2.485 30 50 EEEA C#CCCC1(CCC(=O)N2CCC(C)(N3CCOCC3)CC2)N=N1 952879835 BMTJZRQAPWLFFC-UHFFFAOYSA-N 332.448 2.055 30 50 EEEA COc1cc(CNCCN(C)C)cc(Br)c1OCC#N 23114593 CCSORUOCATVIHI-UHFFFAOYSA-N 342.237 2.011 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)O)o1 221167933 QSBVKVCXIKFNKM-ZDUSSCGKSA-N 333.384 2.262 30 50 EEEA CC1(C)CN(S(=O)(=O)CC2(C#N)CC2)[C@H]1c1nccn1CC1CC1 952894766 QQCUHQQXTQLNEJ-AWEZNQCLSA-N 348.472 2.310 30 50 EEEA C=CCC(F)(F)C(=O)N1CCN(c2cc(-c3cccnc3)[nH]n2)CC1 1775999143 OJZZITZURFOUEI-UHFFFAOYSA-N 347.369 2.332 30 50 EEEA COC(=O)c1ccc(NCC[C@H](C)NC(=O)OC(C)(C)C)c(C#N)n1 408524323 ZLLNEZHOORZXSH-NSHDSACASA-N 348.403 2.455 30 50 EEEA C[C@@](O)(CN1CCN([C@@H](C#N)c2ccccc2)CC1)C(F)(F)F 281894917 OXLCJQNVTGYUON-LSDHHAIUSA-N 327.350 2.182 30 50 EEEA C=C(C)CN(CC)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C 11840558 KKESQVXNRUBKOK-GOSISDBHSA-N 343.471 2.110 30 50 EEEA C=CCN1C(=O)S/C(=C\c2ccc(OCC(=O)OC)cc2)C1=O 15010918 IBSVRURBZIVWRA-LCYFTJDESA-N 333.365 2.461 30 50 EEEA COc1cnc(N/C(O)=N/C[C@@H]2CCN(CC(F)(F)F)C2)s1 330738570 ZIUBERXODZGPRU-QMMMGPOBSA-N 338.355 2.362 30 50 EEEA C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Cl)s1 160936537 SPTNGAANENXGRV-JTQLQIEISA-N 347.831 2.414 30 50 EEEA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2sccc2C#N)C1 328631680 RHBRJTQZRLSPER-CYBMUJFWSA-N 342.424 2.374 30 50 EEEA CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cn1 181529987 HLMRLSMJIQFWFY-CQSZACIVSA-N 326.404 2.347 30 50 EEEA N#Cc1cc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)ccc1F 194609907 HYPFHKYLKNQUFT-UHFFFAOYSA-N 334.328 2.125 30 50 EEEA N#Cc1ccccc1NC1CCN(S(=O)(=O)c2cccnc2)CC1 874435401 RHRMFJFLMVNASH-UHFFFAOYSA-N 342.424 2.218 30 50 EEEA CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C#N)c(N)c23)CO1 6763552 KXUDLFHXVAVPJL-UHFFFAOYSA-N 344.440 2.438 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CC[C@@H]1CC[C@H](C)O1 170645794 DOAYDCQSSYNBMT-JSGCOSHPSA-N 336.413 2.019 30 50 EEEA CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2ncccc2C#N)cc1 426545205 ZVGMPKJGSGBWGS-ZDUSSCGKSA-N 336.395 2.217 30 50 EEEA C=CCN1CC[C@]2(CCC1=O)CN(C(=O)CC1CCCC1)CCN2C 91604628 GWTQXGDUTOKAST-HXUWFJFHSA-N 347.503 2.278 30 50 EEEA C[C@H](CC#N)N(C)S(=O)(=O)N1CCc2c(Cl)cc(F)cc2C1 296246549 PEIHMCRHLBUFHA-SNVBAGLBSA-N 345.827 2.316 30 50 EEEA C=CCN1C[C@H](C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC1=O 11814590 KQXKCXCPPGJCBW-OAHLLOKOSA-N 325.412 2.435 30 50 EEEA C=C(C)CN(C)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 12204526 GPDBXXSTSCKSBX-GOSISDBHSA-N 338.398 2.326 30 50 EEEA CCc1nc(SCC(=O)Nc2ccccc2C)[nH]c(=O)c1C#N 5238946 ICEJUEILTXVZRW-UHFFFAOYSA-N 328.397 2.243 30 50 EEEA CCc1nc(C/N=C(/O)N[C@@H]2CCO[C@]3(CCOC3)C2)cs1 328586919 PGJHCRUXMLXXSQ-IAQYHMDHSA-N 325.434 2.047 30 50 EEEA CCN1C(=O)CC[C@H](CNc2ccc(C#N)cn2)[C@H]1c1nccn1C 952852771 KWWXSGLZSOJIED-PBHICJAKSA-N 338.415 2.098 30 50 EEEA Cc1noc(C[C@@]2(O)CCCN(Cc3ccc(Cl)cc3C#N)C2)n1 886080236 QWIGCQMVTMALOE-KRWDZBQOSA-N 346.818 2.473 30 50 EEEA CN(C)c1nc(O)cc([C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)n1 864313384 TWCUEXYEDLLHLI-LLVKDONJSA-N 344.806 2.162 30 50 EEEA C[C@]1(N/C(O)=N/CCc2cnc(C3CC3)nc2)CCO[C@H]1C1CC1 328587263 RGSLUMSGUPYLNE-YJBOKZPZSA-N 330.432 2.358 30 50 EEEA CC(C)[C@H](O)C/C(O)=N/[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 328607319 VMOGHBHZNKKMSV-BFHYXJOUSA-N 338.452 2.353 30 50 EEEA N#Cc1ccccc1N1CCC[C@H](NS(=O)(=O)c2ccco2)C1 364607822 PEIOIQJOTCMTEX-AWEZNQCLSA-N 331.397 2.099 30 50 EEEA N#C[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1c1ccccc1 366499999 ZXFHFRZUNAAAIY-AEFFLSMTSA-N 333.391 2.094 30 50 EEEA N#C[C@H]1CN(C(=O)c2ccccc2N2CCCCC2)CCN1C1CC1 369303241 WTRCSZBZLBGGMO-KRWDZBQOSA-N 338.455 2.489 30 50 EEEA C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@]3(O)[C@@H]1CC[C@H]2C(=O)CO 257346372 YWRPKJIIPJSLLJ-SLBIIXIFSA-N 332.440 2.421 30 50 EEEA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cccc(C#N)c2)C1 1775957361 PUFMVXZGFLCFEV-FUHWJXTLSA-N 337.379 2.262 30 50 EEEA C#CCOc1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 170616022 GRQAORQRRMAARY-SFHVURJKSA-N 325.412 2.367 30 50 EEEA Cc1ccccc1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 192128277 LNACXJSAXVRYCP-IBGZPJMESA-N 347.418 2.327 30 50 EEEA Cc1c(CNS(=O)(=O)CC2(C#N)CC2)noc1-c1ccccc1 2325812332 LZPMBWSJWAJRAZ-UHFFFAOYSA-N 331.397 2.373 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2OC(C)(C)O[C@@H]32)N=N1 2325891666 UVCCIRVFACRJDH-ARILJUKYSA-N 331.416 2.244 30 50 EEEA N#Cc1ccc(OC2CN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C2)cc1 130485330 BVAURQCPHYTUNA-KRWDZBQOSA-N 347.374 2.274 30 50 EEEA CC(C)[C@H]1CCO[C@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 377581100 CQNFETIKNMBYFJ-HUUCEWRRSA-N 325.372 2.139 30 50 EEEA COc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1 20133340 VPOQOXJAOXLUEX-UHFFFAOYSA-N 342.399 2.356 30 50 EEEA aggregator C#CCCC1(CCC(=O)N2CCC(OC[C@H]3CCOC3)CC2)N=N1 952882923 ZFZWAMLIFYNQBT-HNNXBMFYSA-N 333.432 2.386 30 50 EEEA C=CCNc1ccccc1C(=O)N1CCN(CCOCCC)CC1 55108537 WDNFOMZGCACNAR-UHFFFAOYSA-N 331.460 2.469 30 50 EEEA CO[C@]1(C(O)=Nc2cnc3c(Br)cccn23)CCOC1 329197668 VKTPWNNZZJCFBR-CYBMUJFWSA-N 340.177 2.490 30 50 EEEA CC(C)n1cc([C@]2(O)CCN(c3c(Cl)cccc3C#N)C2)nn1 284551071 NRCUSXHXJATVIA-INIZCTEOSA-N 331.807 2.482 30 50 EEEA C=CCOc1ccccc1CNC(=O)N[C@@H]1CCC(=O)NC12CCC2 241465956 NTIXYTYAXYGRSX-MRXNPFEDSA-N 343.427 2.252 30 50 EEEA N#CC1(CC(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)CC1 952848690 RMLNYEBRUVRVSV-KGLIPLIRSA-N 325.416 2.328 30 50 EEEA Cc1c([C@@H](C)NC(=O)/C=C/CN(C)C)cnn1-c1ccc(C#N)cc1 1875375738 NVLCNLKKWZGGAN-VBROQKIQSA-N 337.427 2.347 30 50 EEEA C/C(=N/N=C1/NC(=O)C[C@H](C(=O)O)S1)c1ccc(Cl)cc1 5479883 SBGPOCHUEVQQJA-SMUOPJFFSA-N 325.777 2.126 30 50 EEEA CCc1ccc([C@@H](CNC(=O)C2(C#N)CCOCC2)N(C)C)cc1 109138725 GNNXDHTVDVVONF-QGZVFWFLSA-N 329.444 2.288 30 50 EEEA N#Cc1ccnc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)c1 225803977 CZQXSFZTNZTJIW-AWEZNQCLSA-N 332.367 2.016 30 50 EEEA N#Cc1ccsc1N1CC[C@H](N[C@@H]2CCC[C@H]3OCC[C@@H]23)C1=O 245788856 VFWQSDONORHYBF-LJISPDSOSA-N 331.441 2.272 30 50 EEEA N#Cc1cccnc1N1CCN(Cc2cc(-c3cccnc3)no2)CC1 244874485 XCDHYNOAIIKEHP-UHFFFAOYSA-N 346.394 2.325 30 50 EEEA COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=C[C@]14O[C@@H]4CN3CCC2 96023763 JCKPCZAYDZJZIL-LMFCIFFHSA-N 343.423 2.273 30 50 EEEA biogenic C=CCCC(=O)NC[C@H]1[C@H]2CN(c3ncccc3C)C[C@]23CC[C@H]1O3 1875247928 VIBQOIAEBJYPFX-TVKQPGBESA-N 341.455 2.456 30 50 EEEA Cc1ccc(C/C(O)=N/C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)cn1 328633434 LZVCFOAFNVAZAH-KBPBESRZSA-N 333.367 2.197 30 50 EEEA N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@H]1C(=O)O 899550550 ARMJAXLWIJSSHB-JTQLQIEISA-N 336.394 2.011 30 50 EEEA C=CCc1ccccc1OC[C@H](O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252452871 JVWUCIUEDZXURM-BRWVUGGUSA-N 341.407 2.106 30 50 EEEA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)C2(C#N)CC(C)C2)C3)o1 952886091 GLKIWSRVHMHKMC-CWURRWRDSA-N 328.416 2.452 30 50 EEEA C#CCCC1(CCC(=O)N2CCCN(C[C@H]3CCCO3)CC2)N=N1 952880276 FGOVGUOEHMAUBD-MRXNPFEDSA-N 332.448 2.055 30 50 EEEA N#Cc1nccnc1N1CCCN(C(=O)[C@H]2CCc3ccccc32)CC1 1772819079 PITIEIZAXVMQTB-KRWDZBQOSA-N 347.422 2.117 30 50 EEEA COc1ccc(CNC(=O)NC2CCC(C(=O)O)CC2)cc1C#N 820836638 BBDCCKXDETXNOO-UHFFFAOYSA-N 331.372 2.009 30 50 EEEA C=CCN(Cc1ccccc1OCC)C(=O)C[C@@H]1CN(C)CCN1C 55392839 FNOROEFVXINHJC-GOSISDBHSA-N 345.487 2.236 30 50 EEEA CCn1ccnc(N2CCC(/N=C(/O)[C@@H]3C[C@@H]3C3CC3)CC2)c1=O 328621666 APZAITJIIGSIAW-HUUCEWRRSA-N 330.432 2.235 30 50 EEEA CCN1CCN(C(O)=Nc2ccc(C)nc2)C[C@H]1c1nccn1C 328640905 XOCAEBLKYRUMMK-HNNXBMFYSA-N 328.420 2.048 30 50 EEEA Cc1nnccc1N=C(O)N1CCCC[C@@H]1c1nnc2n1CCCC2 330099606 DHVWAVYROUUMOW-CQSZACIVSA-N 341.419 2.486 30 50 EEEA CCc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(O)cc2O)cc1 17068799 CCQMVXAKPNQECF-BOPFTXTBSA-N 334.397 2.363 30 50 EEEA Cc1cnn(-c2ccc(NC(=O)N3CC[C@@](O)(CC#N)C3)cc2F)c1 952878576 AVBKBPQNULPVMU-KRWDZBQOSA-N 343.362 2.202 30 50 EEEA C=CCNCc1ccc(OC)c(OC[C@H](O)CN2CCCCC2)c1 12111948 GZHKCOPNILVXDJ-QGZVFWFLSA-N 334.460 2.196 30 50 EEEA C[C@]1(C(=O)N2CC[C@H](N/C(O)=N/C3CC3)C2)CCc2ccccc2C1 329543176 YDTVJZXNRMIBDA-PXNSSMCTSA-N 341.455 2.449 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)N=N1 2325892442 NQQPJUFMYYYQMC-HOCLYGCPSA-N 342.443 2.344 30 50 EEEA CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)O)c(F)c1 350867340 FXLQTVAEFKBLQU-UHFFFAOYSA-N 349.343 2.238 30 50 EEEA CN(C(=O)CSCC(=N)O)[C@H](C/N=C(/O)OC(C)(C)C)C1CC1 328595463 VRPNJQSHXOGDIS-LLVKDONJSA-N 345.465 2.221 30 50 EEEA N#Cc1cc([N+](=O)[O-])ccc1N1CCC([C@@H](O)c2ncc[nH]2)CC1 170606525 TUXSQIMDEVHMFN-OAHLLOKOSA-N 327.344 2.140 30 50 EEEA O=C(CC1=C(c2ccccc2)CCC1=O)NCc1nnc2n1CCC2 223074646 IVFDXBXONFTIOP-UHFFFAOYSA-N 336.395 2.047 30 50 EEEA COc1ccc(OC)c2c1CN(C(=O)c1cc(C#N)cs1)C[C@@H]2O 176890159 YPXALPFEZRKPRL-LBPRGKRZSA-N 344.392 2.326 30 50 EEEA COc1cc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)ncn1 162439143 XUJYWWGURZWTOF-UHFFFAOYSA-N 346.394 2.232 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 378034577 MUYMMRAUNXGVCK-CYBMUJFWSA-N 325.372 2.177 30 50 EEEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(OC(=O)N(C)C)CC1 496453084 KBFJIDZKVWZRDQ-CYBMUJFWSA-N 345.399 2.015 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)N=N1 952879936 CHWKVHXKICEWAI-CQSZACIVSA-N 326.400 2.235 30 50 EEEA CCc1ccc([C@H](CNC(=O)C2(C#N)CCOCC2)N(C)C)cc1 109138726 GNNXDHTVDVVONF-KRWDZBQOSA-N 329.444 2.288 30 50 EEEA C[C@H]1[C@@H](/N=C(/O)Nc2nc(C(C)(C)C)cs2)CCS1(=O)=O 330347795 IAMUOWWYWFIKIQ-IUCAKERBSA-N 331.463 2.342 30 50 EEEA CN1CCN(CCCNc2nccnc2C#N)[C@H](c2ccccc2)C1 241124196 JGFZHIVLKWYHLA-SFHVURJKSA-N 336.443 2.139 30 50 EEEA C=C(C)CS(=O)(=O)N1CCOC[C@H]1c1nc(-c2ccccc2)no1 282245165 ISCNFJTZVSJEOX-AWEZNQCLSA-N 349.412 2.016 30 50 EEEA CN1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@@H]1C#N 274567387 FBDQATUVLUFGSO-JTQLQIEISA-N 342.624 2.382 30 50 EEEA O/C(=N/CCc1nnc(-c2ccccc2)o1)N[C@@H]1CCO[C@@H]1C1CC1 328586238 OKKQKAXAWOFKTI-GDBMZVCRSA-N 342.399 2.350 30 50 EEEA CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 253396991 QOGJUCQSSXQQHW-SCLBCKFNSA-N 329.400 2.470 30 50 EEEA Cc1nc(C#N)c(N2CCC(C(=O)OCCc3cccnc3)CC2)o1 170619576 OFDOBNMRFGZJSC-UHFFFAOYSA-N 340.383 2.252 30 50 EEEA CCC[C@]1(COC)CCCN1/C(O)=N/C[C@@H]1CCCN(C(C)=O)C1 331066529 QVQIHPXCNLNTNP-FUHWJXTLSA-N 339.480 2.440 30 50 EEEA CS(=O)(=O)N[C@H]1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 286523386 ZUGBESOWRAVGKK-IUCAKERBSA-N 348.881 2.188 30 50 EEEA Cc1nn(Cc2cccc(C#N)c2)c(C)c1S(=O)(=O)NC(C)(C)C 122703530 ZUXVUAOIDRUPLQ-UHFFFAOYSA-N 346.456 2.497 30 50 EEEA Cc1nn2cc(C(=O)N(C)CCc3cccc(C#N)c3)nc2s1 2325773900 UTYSSMZCLOSBTK-UHFFFAOYSA-N 325.397 2.286 30 50 EEEA C#CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 2831147 SGWIZNQPSCTWBD-JLHYYAGUSA-N 347.417 2.375 30 50 EEEA C=CCN1CCN(C(=O)c2cc3cccc(OCC)c3oc2=O)CC1 55059016 RCMOAPGBXNKXCP-UHFFFAOYSA-N 342.395 2.136 30 50 EEEA N#Cc1cc(C(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)ccc1F 225462223 HEWHRGXQPXGOAE-UHFFFAOYSA-N 334.310 2.496 30 50 EEEA Cc1ncc2c(c1C#N)CCN(C(=O)C1CCN(C(C)C)CC1)C2 65409741 COEJEVQELVWFCE-UHFFFAOYSA-N 326.444 2.267 30 50 EEEA C=CCOc1cccc(C(=O)NCC[C@H](C)N2CCN(C)CC2)c1 952961355 IVUPZGQWUMZOIU-INIZCTEOSA-N 331.460 2.007 30 50 EEEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCC1CC1)C2 19595061 GOHMKCMIIPPOEK-HNNXBMFYSA-N 328.460 2.162 30 50 EEEA C=CCc1cc(C(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)ccc1OC 1857721535 UNKYPDJEXHWSGZ-XKQJLSEDSA-N 330.428 2.015 30 50 EEEA C#CCCC1(CCNC(=O)c2cnc(N3CCCCC3)cn2)N=N1 2325891671 UXASCYBFZAYERF-UHFFFAOYSA-N 326.404 2.162 30 50 EEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1/C=C/c1ccccc1OC 4845137 JCFGNHSQKKWCNT-HBWSCVEGSA-N 328.368 2.393 30 50 EEEA C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1ccc(C#N)nc1 362454126 SVTGZFGTAIXUIC-GFCCVEGCSA-N 333.351 2.364 30 50 EEEA N#Cc1ccccc1OCC(=O)NC[C@@H]1CC(=O)Nc2ccccc21 370155063 CCBRUWNIDVRAAS-AWEZNQCLSA-N 335.363 2.179 30 50 EEEA Cc1ccccc1OCC(=O)N1CCN(c2ccccc2C#N)C(=O)C1 82092120 OCSWYDAWOZIAOV-UHFFFAOYSA-N 349.390 2.121 30 50 EEEA C=CCn1c(S)nc(=O)c2c(C(=O)O)cc(-c3ccco3)nc21 20615913 MAWFZUYNVHPHGQ-UHFFFAOYSA-N 329.337 2.224 30 50 EEEA CC[C@H](O)CN1CCN(c2ccc(Br)cc2C#N)CC1 302205045 WRAONVZALCZBEN-AWEZNQCLSA-N 338.249 2.214 30 50 EEEA Cc1nnc(NC[C@@H]2CCCO[C@H]2c2nccn2C)c(C#N)c1C 858008767 YTQUTHDWEPVKKH-DZGCQCFKSA-N 326.404 2.278 30 50 EEEA C#CCCC1(CCC(=O)Nc2cnn(Cc3cnn(C)c3C)c2)N=N1 1875387754 WBAUBKMIAWHBQT-UHFFFAOYSA-N 339.403 2.268 30 50 EEEA C#CCOc1ccc(Br)cc1[C@@H]1N[C@H](C(=O)O)CS1 2972012 ZBZHPYBZAQDIQJ-CMPLNLGQSA-N 342.214 2.249 30 50 EEEA Cc1c(NC(=S)N(C)CCC#N)c(=O)n(-c2ccccc2)n1C 3627098 KQEKMHNRAMXWJW-UHFFFAOYSA-N 329.429 2.027 30 50 EEEA N#Cc1ccsc1N1CC[C@H](N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1=O 230100472 VFWQSDONORHYBF-XGUBFFRZSA-N 331.441 2.272 30 50 EEEA CO[C@@H]1C[C@H](c2nc(C)no2)N(C/C(O)=N/C(C2CC2)C2CC2)C1 328625043 KHYYQNLFALFQKO-ZIAGYGMSSA-N 334.420 2.285 30 50 EEEA N#C[C@@H]1CN(C(=O)Cc2ccc3c(c2)NC(=O)C3)C[C@H]1c1ccccc1 366568441 WBOCKFODJRLYSP-MSOLQXFVSA-N 345.402 2.489 30 50 EEEA C=C(C)CN(C)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O 12204524 GPDBXXSTSCKSBX-SFHVURJKSA-N 338.398 2.326 30 50 EEEA N#Cc1ccccc1OCC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 225681096 CYNIEQLXJUVOCH-IRXDYDNUSA-N 340.354 2.411 30 50 EEEA CCc1nc(S[C@H](C)C(=O)Nc2ccc(F)cc2)[nH]c(=O)c1C#N 5238999 OOVOPGXDPAVESF-SECBINFHSA-N 346.387 2.462 30 50 EEEA N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(OC2CCC2)CC1 333924186 SUQMBGDMSUIESB-UHFFFAOYSA-N 338.404 2.420 30 50 EEEA Cc1noc([C@@H]2[C@@H](C)OCCN2CCOc2ccc(C#N)cc2)n1 346457607 HFZAQLXFGQHZBI-WBMJQRKESA-N 328.372 2.091 30 50 EEEA N#Cc1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CCCCC2 2083615 PGBPRWNVLAIXLF-UHFFFAOYSA-N 346.372 2.027 30 50 EEEA COc1ccc(C[C@@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 4738077 RGZLHGFMIXGYRG-FBJMNJBLSA-N 329.381 2.452 30 50 EEEA C=C(C)COc1ccccc1CN1CCN(c2cnnc(O)c2)CC1 55284847 ARPNAPHKPXWSIM-UHFFFAOYSA-N 340.427 2.459 30 50 EEEA CC1=C(C)/C(=N\S(=O)(=O)c2ccc(C)cc2)C=C(N(C)C)C1=O 100824743 FIPIKPGRDSRLTH-SDXDJHTJSA-N 332.425 2.489 30 50 EEEA Cn1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Nc2ccsc2)cn1 328633716 MESOGFCSJXNZBE-JSGCOSHPSA-N 337.424 2.420 30 50 EEEA Cc1nc(N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)ccc1C#N 886068604 UOBKENBMXAAGHP-GOSISDBHSA-N 337.427 2.376 30 50 EEEA CN(C)c1n[nH]c(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)n1 225812967 VZKHYRKYGXIVHA-UHFFFAOYSA-N 341.375 2.035 30 50 EEEA COc1cc(CN[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)ccc1C#N 375625170 NFBUVZWFSWMLKQ-WBVHZDCISA-N 327.428 2.448 30 50 EEEA C/C(=N\Nc1ccc(S(=O)(=O)O)cc1)c1ccc([N+](=O)[O-])o1 4866022 KPWWBKZFIKDJJA-MDWZMJQESA-N 325.302 2.271 30 50 EEEA C#CC(CC)(CC)/N=C(/S)Nc1ccc(S(N)(=O)=O)cc1 8683738 YIHNMEXKLAPJRM-UHFFFAOYSA-N 325.459 2.224 30 50 EEEA CC[C@H](C#N)NC(=O)c1ccc(I)c(O)c1 230891397 SCSNCKRNIRERMP-MRVPVSSYSA-N 330.125 2.029 30 50 EEEA C=C(C)CN1CCN(C(=O)c2cc3cccc(OC)c3oc2=O)CC1 55556978 QKQFGNGDSVITLT-UHFFFAOYSA-N 342.395 2.136 30 50 EEEA C[C@@H]1CN(/C(O)=N/CCOc2ccc(C#N)cc2)C[C@H](C2CC2)O1 328588994 WAJGKGKXOFIBPX-CXAGYDPISA-N 329.400 2.350 30 50 EEEA CCOC(=O)c1nn(-c2ccccc2Br)c(N)c1C#N 38537295 ZZNNLYKYVWSFEK-UHFFFAOYSA-N 335.161 2.265 30 50 EEEA N#Cc1cccc(Cl)c1N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 133710227 KWZRYCUDYFRRRT-CYBMUJFWSA-N 339.848 2.216 30 50 EEEA Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cccc(CC#N)c1 368123440 XGXGJYOGZRMQSW-GOSISDBHSA-N 333.391 2.374 30 50 EEEA CNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 426534490 RFVGMZLYEWCJQQ-ZDUSSCGKSA-N 336.395 2.217 30 50 EEEA N#CC1(c2ccccc2)CCN(C(=O)CCN2CCCCC2=O)CC1 244882433 XROBPDBAVUAKMD-UHFFFAOYSA-N 339.439 2.473 30 50 EEEA C[C@H](O)c1ncc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)s1 225744955 JWEMTLPDHOLLPD-HOCLYGCPSA-N 342.468 2.406 30 50 EEEA CCC#CCN1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 1772819972 ZCYXQSVJXPRNPK-UHFFFAOYSA-N 336.439 2.434 30 50 EEEA N#Cc1csc(CN2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)c1 328627229 FWWVHUYEGVELPC-ZDUSSCGKSA-N 343.412 2.232 30 50 EEEA Cc1cccc(N=C(O)N[C@H](c2nc(C)no2)C2CCOCC2)n1 328636954 VVAOKRLKURKELM-AWEZNQCLSA-N 331.376 2.384 30 50 EEEA N#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2)CC1 34854097 DZFDSUCSISKGBN-UHFFFAOYSA-N 326.425 2.380 30 50 EEEA COc1cccc(/C=N/n2c(S)nnc2-c2ccncc2)c1O 1302832 WBHCXZGBZHYDIE-RQZCQDPDSA-N 327.369 2.225 30 50 EEEA Cc1cc([C@H](C#N)C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)nc(C)n1 750684617 SBODMQDEMPCMJH-RISCZKNCSA-N 349.394 2.360 30 50 EEEA CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C#N)cc2)n1 8931592 FWSOGIBZAWIDFV-UHFFFAOYSA-N 328.397 2.325 30 50 EEEA C#CCCC1(CCC(=O)NC[C@H](Cc2ccccc2)C(=O)OC)N=N1 2325892438 NPCLSNBAGAWNBF-INIZCTEOSA-N 341.411 2.490 30 50 EEEA COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)c1 381122 ZZYZZVGEHAGCKI-ZBFHGGJFSA-N 331.368 2.159 30 50 EEEA COc1nccc(N2CCCn3nc([C@H](O)C4CC4)cc3C2)c1C#N 230505379 XLGFGXWVUGDXAM-QGZVFWFLSA-N 339.399 2.012 30 50 EEEA N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1cc(F)ccc1F 164259703 UFWXHXRTDLIXEM-UHFFFAOYSA-N 333.294 2.439 30 50 EEEA C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 170081411 CWJSOPMQEHPDCI-CYBMUJFWSA-N 326.375 2.372 30 50 EEEA C[C@]1(O)CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 188289409 RSBYHBIGYPLEKL-HNNXBMFYSA-N 326.318 2.223 30 50 EEEA C[C@@H]1CCCN(C[C@@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)C1 189146110 SCXULBFIAFLYAI-HUUCEWRRSA-N 335.473 2.098 30 50 EEEA C=CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 5092356 FANKQBPBFJCBLJ-UKTHLTGXSA-N 340.335 2.081 30 50 EEEA C=CCC(=O)N1CCC[C@@H](CNC(=O)COc2ccccc2OC)C1 12023345 SSNZZJUFXQXHON-HNNXBMFYSA-N 346.427 2.005 30 50 EEEA O=C([C@H]1CO1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 1875372816 NAZOXBAECXXDLB-OAHLLOKOSA-N 333.338 2.460 30 50 EEEA Cc1oc(S(C)(=O)=O)cc1C(=O)N(C)Cc1cc(C#N)cs1 887964261 BYBXLIAJZRTOJF-UHFFFAOYSA-N 338.410 2.197 30 50 EEEA CC(C)(C)[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1 279745574 KXQQIUGHHDSIRK-CYBMUJFWSA-N 344.383 2.272 30 50 EEEA CN1CCC(O)(CNC(=O)c2ccc(-c3cccc(C#N)c3)cc2)CC1 426478098 WFJQBBCGDWGSMJ-UHFFFAOYSA-N 349.434 2.412 30 50 EEEA COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1O 442473 XGHXLHYIEKNFSY-CXUHLZMHSA-N 340.788 2.367 30 50 EEEA COCc1cc(C)n(Cc2nnc(-c3ccccc3)o2)c(=O)c1C#N 13547972 CKBWJDZXYNWBMF-UHFFFAOYSA-N 336.351 2.273 30 50 EEEA C=CCS(=O)(=O)N[C@H](C)c1cnn(-c2ccc(OC)cc2)c1C 14978212 OXTYODUTUWXLMO-GFCCVEGCSA-N 335.429 2.356 30 50 EEEA CC[C@H](C)N/C(=N\C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 245806670 DCHVJHNYHYYFCZ-KKUMJFAQSA-N 333.480 2.159 30 50 EEEA CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc(C#N)c(O)nc2C)C1 67947967 WKXLIAKTHTUMHO-ZDUSSCGKSA-N 339.399 2.273 30 50 EEEA CO[C@@H]1CCOC[C@H]1NC(=O)CC1=C(c2ccccc2)CCC1=O 218356371 QOKPHDGSMIRAAD-SJLPKXTDSA-N 329.396 2.113 30 50 EEEA COCCN(CCOC)C(=O)c1ccc(-c2ncccc2C#N)cc1 426398997 IMSWKKXSSRSRPU-UHFFFAOYSA-N 339.395 2.355 30 50 EEEA Cn1ccnc1[C@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)C1CC1 244626600 FOUFQBTVNJULJU-QGZVFWFLSA-N 337.423 2.424 30 50 EEEA C#CCN1C(=O)S/C(=C/c2cn(CC(=O)O)c3ccccc23)C1=O 4562078 RNXKVUCQJXZJQZ-RIYZIHGNSA-N 340.360 2.395 30 50 EEEA CC(C)CN1CCN(/C(O)=N/[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@H](C)C1=O 330201834 YKIGWMJNUXXHJB-NKGKWGDASA-N 341.455 2.427 30 50 EEEA C#Cc1cnc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)nc1 952887215 LOFLQGYQHANJLI-HNNXBMFYSA-N 339.468 2.405 30 50 EEEA CSc1ccc(Cn2c(=O)c(C#N)c3n(c2=O)CCC3)cc1Cl 2325765868 ICQNUONXUBEKME-UHFFFAOYSA-N 347.827 2.251 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)N=N1 2325892376 LIMPOUDTYLWZKY-BRWVUGGUSA-N 346.475 2.348 30 50 EEEA CCn1cnnc1[C@@H]1CN(/C(O)=N/[C@H](C)c2cccs2)CCO1 328640110 XDLQGNJZDBURKL-NEPJUHHUSA-N 335.433 2.408 30 50 EEEA C#CCOc1ccccc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C 194520537 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341.455 2.428 30 50 EEEA CN(C)c1cc(C#N)cc(C(=O)NCc2cc(C(F)(F)F)n[nH]2)c1 1771828372 CJHBOEOMIDLIJS-UHFFFAOYSA-N 337.305 2.296 30 50 EEEA COCCN1CCC[C@]2(CCCN2Cc2ccc(C#N)cc2)C1=O 2356143399 GHBWZRVWEFXZEN-IBGZPJMESA-N 327.428 2.162 30 50 EEEA COc1ccc(/C(C)=N/Nc2nc(SCC#N)n[nH]2)cc1OC 20608317 JLKGWSYLQNWGNW-RQZCQDPDSA-N 332.389 2.274 30 50 EEEA C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 248107413 GJDJNTHQLJKYRY-BMGDILEWSA-N 327.428 2.411 30 50 EEEA Cc1cc(C)n([C@H](C)/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)n1 328630911 JWAHUWOTOWWTON-IUDNXUCKSA-N 348.447 2.345 30 50 EEEA C[C@H](Oc1cccnc1)/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328634652 MVWIUZUDMFBLSF-GRTSSRMGSA-N 347.415 2.133 30 50 EEEA CC(C)[C@H](/C(O)=N/[C@@H]1CN(c2ccccc2)C1=O)N1CCCC1=O 329463995 QVKRGWORSWHTKW-GDBMZVCRSA-N 329.400 2.005 30 50 EEEA N#Cc1cnc2ccccc2c1N1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 299744527 SSUAMZRMRGYXHA-VXGBXAGGSA-N 334.301 2.206 30 50 EEEA CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)c1c[nH]c(C#N)c1 343687854 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2.407 30 50 EEEA Cn1c(Sc2cc(C#N)ccc2[N+](=O)[O-])nnc1[C@H]1CCCNC1 274258245 MBVRCKZZZCSWAW-NSHDSACASA-N 344.400 2.213 30 50 EEEA C=C(C)CNCc1ccc(OC[C@@H](O)CN(C)C(C)C)c(OC)c1 12027321 FIYCLXHVSINEJX-KRWDZBQOSA-N 336.476 2.441 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCCc3c2ccc(=O)n3C)N=N1 952879928 CHWKVHXKICEWAI-AWEZNQCLSA-N 326.400 2.235 30 50 EEEA C[C@@H](NCc1ccnn1[C@H]1CC1(F)F)C(=O)Nc1ccccc1C#N 1875281102 PPLNHOTYVIZVIW-ABAIWWIYSA-N 345.353 2.452 30 50 EEEA C[C@@H]1c2ccc(C#N)n2CCN1C(=O)[C@]1([C@H]2CCCCO2)CCCO1 1875405745 NKRKGCDKRWNTLI-LSBZLQRGSA-N 343.427 2.381 30 50 EEEA N#Cc1ccccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1=O 82138926 FFQRTDOVKGUXMN-UHFFFAOYSA-N 341.317 2.325 30 50 EEEA Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 167211660 BVJQHJMDSGDSAT-WBMJQRKESA-N 341.371 2.150 30 50 EEEA N#Cc1ccccc1N1CCCN(c2ncnc(N)c2Cl)CC1 302771946 CIYXAJUXCUGDGF-UHFFFAOYSA-N 328.807 2.301 30 50 EEEA NC(=O)C[N+]1(CC#CC(O)(c2ccccc2)c2ccccc2)CCCC1 1833356 RNSDQAAFSOLKEI-UHFFFAOYSA-O 349.454 2.022 30 50 EEEA C=C(C)CN(CC)C(=O)[C@@H]1C[C@H](NC(=O)C2CCCCC2)CN1C 67727073 IVKPRFNOQCNCMA-IRXDYDNUSA-N 335.492 2.180 30 50 EEEA C[C@H](/N=C(/O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1)C1CCC1 328633962 SXZMZTKJPGCCNS-SWLSCSKDSA-N 333.436 2.019 30 50 EEEA CN1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1c1nc(C2CC2)no1 284924629 PQGOVNGFXQVNIW-INIZCTEOSA-N 341.390 2.446 30 50 EEEA NC(=O)C(=NO)c1nc(-c2ccc(Br)cc2)cs1 254764614 MPDAZROITWSXCC-UHFFFAOYSA-N 326.175 2.236 30 50 EEEA C=C(C)CN(C)c1ccc(C(=O)N(CC)Cc2nccn2C)cn1 12304809 OIOSVDURGQIXFT-UHFFFAOYSA-N 327.432 2.490 30 50 EEEA Cc1nc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1C#N 348260538 NXALUUMETREICA-SUMWQHHRSA-N 343.333 2.488 30 50 EEEA COc1ccc(N=C(O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cn1 328640081 XDBTXXRPMVSNAY-LBPRGKRZSA-N 347.375 2.216 30 50 EEEA C[C@@H](CC#N)NC(=O)c1cc(I)ccc1O 171285436 QGEBZCZADAZHNH-ZETCQYMHSA-N 330.125 2.029 30 50 EEEA C[C@H]1CCC[C@@H](C)N1C/C(N)=N/OCC(=O)N[C@@H]1CCCC[C@H]1C 239882359 DBKVBVWKMFISSP-LVQVYYBASA-N 338.496 2.233 30 50 EEEA COCCN(C(=O)Nc1ccc(C#N)cc1F)C1CCN(C)CC1 97475551 GHDRRBHVDZSIAG-UHFFFAOYSA-N 334.395 2.272 30 50 EEEA COc1nccc(-c2cccc(C(=O)N3CCC[C@H]3CO)c2)c1C#N 299760996 QLPZFSPNADGODE-HNNXBMFYSA-N 337.379 2.226 30 50 EEEA CC(C)(O)C#Cc1ccc(CN2CCC[C@]3(CC2)CNC(=O)O3)s1 828305620 YSSWZGZCNIVVDM-SFHVURJKSA-N 348.468 2.335 30 50 EEEA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 192493713 LSJMNPCTBQBCCR-WOJBJXKFSA-N 348.402 2.007 30 50 EEEA CN1CCN(C(=O)Cc2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 193085479 GSYLUWFEHBAREI-IEBWSBKVSA-N 340.471 2.497 30 50 EEEA O=C(O)CC/C(=N\NS(=O)(=O)c1ccccc1)c1ccccc1 5020939 NBMDOXCNLHZSSL-BMRADRMJSA-N 332.381 2.234 30 50 EEEA N#Cc1cc(NC(=O)c2cccn2CCN2CCOCC2)ccc1F 864057643 NPDSYXAGCYGDCE-UHFFFAOYSA-N 342.374 2.083 30 50 EEEA C[Si](C)(C)C#Cc1ccc(CNC(=O)C[C@H]2COC(=O)C2)cc1 952995291 HKQBSMLFZAWIRW-MRXNPFEDSA-N 329.472 2.485 30 50 EEEA N=C(O)c1cnn2c1C[C@@H](C/N=C(/O)c1conc1C1CC1)CC2 329092842 AUJCXNPBDMVLRY-VIFPVBQESA-N 329.360 2.199 30 50 EEEA Cc1nn(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(N)c1C#N 193673001 LZILRFIAYLJLCU-LBPRGKRZSA-N 337.427 2.402 30 50 EEEA N#Cc1ccc(Br)c(CN2CCC[C@H]3C(=O)NC[C@H]32)c1 225630142 GBWMIMJNIWTVOD-TZMCWYRMSA-N 334.217 2.031 30 50 EEEA C=CCN(Cc1ccc(C)cc1)C(=O)C(=O)N1CCC([C@@H](C)N)CC1 1875323681 PHCBXIKMMXWFTB-MRXNPFEDSA-N 343.471 2.095 30 50 EEEA CCN(CC)c1ccc(/C=N/n2c(C)cc(C)c(C(N)=O)c2=O)cc1 206307 IYSSQKZADQPCQW-CIAFOILYSA-N 340.427 2.292 30 50 EEEA Cc1nsc(N2CC[C@@H](NC(=O)C3C4CCC3CC4)C2)c1C#N 2325824853 SYCXTOFTXOWCKV-PYYBWGNESA-N 330.457 2.454 30 50 EEEA C#CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)cc1 2899578 IRRIZPBLVIKSBT-QGOAFFKASA-N 328.393 2.319 30 50 EEEA C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@](O)(C(F)(F)F)C1 225241004 AXQPRBYBBQKRRZ-NHYWBVRUSA-N 341.333 2.274 30 50 EEEA N=C(N)c1ccc2cc(OC(=O)c3ccc(N=C(N)N)cc3)ccc2c1 3874467 MQQNFDZXWVTQEH-UHFFFAOYSA-N 347.378 2.248 30 50 EEEA biogenic,world C[C@H](O)[C@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 183219256 HBPZFULAABZSQO-SRVKXCTJSA-N 333.457 2.138 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CC[C@@H]1CC[C@@H](C)O1 170645798 DOAYDCQSSYNBMT-OCCSQVGLSA-N 336.413 2.019 30 50 EEEA CCOc1ccccc1/C=N/O[C@H]1CCCN(c2ccn(C)n2)C1=O 170642536 RELRLVFVSLZPAT-HUCUOGIVSA-N 342.399 2.365 30 50 EEEA C=CCOc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OC 5034772 XVCYJZGKLLJZKZ-GQCTYLIASA-N 345.311 2.128 30 50 EEEA C=CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)C)c1=O 12245385 LQOHFPKIDPPNAU-UHFFFAOYSA-N 345.443 2.265 30 50 EEEA CCc1cccnc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 378337925 UOKUNJHSCDBUSB-SFHVURJKSA-N 334.423 2.494 30 50 EEEA CC1(C)CN(S(=O)(=O)CC2(C#N)CC2)[C@H]1c1nccn1C1CC1 952894290 MZLSWEMVIDHJBO-ZDUSSCGKSA-N 334.445 2.234 30 50 EEEA Cc1cccc(C)c1NC(=O)Cc1noc(C2(C#N)CCNCC2)n1 2325853577 VKWROHUXEXFDNI-UHFFFAOYSA-N 339.399 2.012 30 50 EEEA CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 105209531 QHABDZVHFXVBPH-ATZSHDDCSA-N 335.407 2.284 30 50 EEEA CC(C)c1nnc2ccc(N/C(O)=N/[C@H]3CCc4n[nH]cc4C3)cn12 328588315 BRPLCTZWEFELOZ-LBPRGKRZSA-N 339.403 2.459 30 50 EEEA N#Cc1ccc(O[C@H]2CCN(c3nc4ccccn4c3C#N)C2)nc1 366176670 GMZGNJOYGMOSCD-AWEZNQCLSA-N 330.351 2.130 30 50 EEEA N#CC1(CS(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)CCCC1 262380982 GZVSWMLEFIXKAC-IHRRRGAJSA-N 340.445 2.118 30 50 EEEA C=CCOc1cc(Cl)c(CN2CCO[C@@H](C(=O)O)C2)cc1OC 820491573 XYCGHLIAOZSAJL-OAHLLOKOSA-N 341.791 2.199 30 50 EEEA COc1cccc(C(=O)NCCNc2nc3ccccn3c2C#N)c1 170604167 IBNWAWOHVBIHBM-UHFFFAOYSA-N 335.367 2.056 30 50 EEEA CCC#CCN1CCC[C@@]2(CO)CN(Cc3cccc(O)c3)CC[C@H]12 215511322 KBSKHOGYGAAFEI-SFTDATJTSA-N 342.483 2.454 30 50 EEEA N#Cc1ccnc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 348261674 PZOMZJCWEUFDIC-LRDDRELGSA-N 329.306 2.180 30 50 EEEA Cc1noc(C[C@]2(O)CCCN(c3cc(Cl)ccc3C#N)C2)n1 886079622 MSPQNCLGVIYVST-MRXNPFEDSA-N 332.791 2.477 30 50 EEEA C=C(C)Cn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3 236982 AUVQJLZOHUYGSB-UHFFFAOYSA-N 349.481 2.490 30 50 EEEA Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@H]2CS(=O)(=O)C2(C)C)cc1 1721838 JIOPURBIBVJCGQ-TZMCWYRMSA-N 346.470 2.160 30 50 EEEA C=CC[C@H](CO)CNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)CC 222137397 LVHIGFMMSHARCH-ZOBUZTSGSA-N 332.444 2.132 30 50 EEEA CC(C)Oc1ccc(/C=C/C(=O)c2c(O)[nH]c(=O)sc2=O)cc1 390834923 RWAKJXURMKKAHP-VMPITWQZSA-N 333.365 2.186 30 50 EEEA C=CCN(CC=C)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(C)C1=O 12098937 SECVYRPFZIQUBS-LJQANCHMSA-N 344.386 2.043 30 50 EEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1C=Cc1ccccc1OC 1857533233 JCFGNHSQKKWCNT-CQSZACIVSA-N 328.368 2.393 30 50 EEEA C[C@H](NC(=O)N[C@H](C)CN)c1nc(-c2ccc(C#N)cc2)cs1 1875266151 BGDJMFDXXHMJGA-MNOVXSKESA-N 329.429 2.389 30 50 EEEA CC1(C(=O)N2CCC[C@@H](Cn3cc(C4CC4)nn3)C2)CC(C#N)C1 1875323473 JMWJSHWROLXBKF-WRSVWVKZSA-N 327.432 2.334 30 50 EEEA N#Cc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2cn[nH]c2)cc1F 886077808 JDYSMPVWGLPYFZ-ZBFHGGJFSA-N 328.347 2.205 30 50 EEEA Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(C#N)cc3)nc2n1 608631 MPVUBWOTBFESKK-UHFFFAOYSA-N 328.282 2.494 30 50 EEEA CN1CC[C@@H](C/N=C(/O)COC[C@@H]2CCCO2)[C@@H]1c1cccnc1 328619918 GKPALRFHXBWKQH-BQFCYCMXSA-N 333.432 2.227 30 50 EEEA CN(C)CCN(CCO)C(=O)c1cccc(-c2cccc(C#N)c2)c1 426395427 STEAOJWLGHPTJW-UHFFFAOYSA-N 337.423 2.221 30 50 EEEA C=CCn1c(S)nc(=O)c2c(C(=O)O)cc(-c3cccnc3)nc21 20615919 NNAQDUBXBHDUKF-UHFFFAOYSA-N 340.364 2.026 30 50 EEEA C=CCN[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2CCC)C1 14542207 PUBLGKZJPRRESD-CQSZACIVSA-N 348.516 2.115 30 50 EEEA C=CCN1C(=O)N[C@H]2c3cccc(OCC)c3O[C@@]1(C)[C@@H]2C(=O)OC 169618044 YGPQEPIZTCXYKS-DEYYWGMASA-N 346.383 2.235 30 50 EEEA N#C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 827030287 JZDGIHWZLGSTCD-NWDGAFQWSA-N 325.290 2.055 30 50 EEEA C=CCOCC(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 952891841 JAMZLULMUWRPEZ-UHFFFAOYSA-N 331.347 2.178 30 50 EEEA N#Cc1cc(N2CCCN(Cc3ccccc3)CCOCC2)ncn1 952993405 NFSJKBWDGLJAGN-UHFFFAOYSA-N 337.427 2.077 30 50 EEEA Cc1ccc2ccccc2c1S(=O)(=O)N[C@H](CCC#N)C(=O)O 1875354670 KVGCCXNLSIAFNQ-CQSZACIVSA-N 332.381 2.184 30 50 EEEA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2)C1 6747254 JTNKGXIZPQLPPG-OAHLLOKOSA-N 349.456 2.339 30 50 EEEA Cc1noc(C)c1[C@H](C)C/N=C(/O)N1CCC(c2nncn2C)CC1 328717806 PMBUSBWBPCAFTF-LLVKDONJSA-N 346.435 2.317 30 50 EEEA COc1ccccc1CCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 218446001 DXJHZEMWEVLKCY-UHFFFAOYSA-N 348.406 2.326 30 50 EEEA O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1CC#Cc1ccccc1 375800393 ADTJCJXGXRXLEV-MOPGFXCFSA-N 342.439 2.408 30 50 EEEA COc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 17071319 IGLFCFBYVFVEHD-SXGWCWSVSA-N 340.788 2.367 30 50 EEEA N#Cc1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCC2 229849559 WZLCLOLLPJCYHV-MHDGFBEUSA-N 346.408 2.315 30 50 EEEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(Cl)c(Cl)c3)[C@H]2C1 334158655 ZKIMDSJVNKXMKF-ZJUUUORDSA-P 338.261 2.411 30 50 EEEA N#Cc1ccc(N2CCN(Cc3noc(C4CCCC4)n3)CC2)nc1 244899655 ZNKWITVXOOILOU-UHFFFAOYSA-N 338.415 2.316 30 50 EEEA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 275707733 SAAYAWYFNFFHOQ-MRXNPFEDSA-N 336.395 2.313 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)N=N1 952883170 XGXBFHMNPWIUHP-HNNXBMFYSA-N 340.431 2.226 30 50 EEEA Cc1nsc(N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)F)C3)c1C#N 1875341242 MCUYGKJZTVLVDC-LSJOCFKGSA-N 326.372 2.062 30 50 EEEA N#Cc1cc2c(nc1N1CCC([C@@H]3CC[C@H](C(=O)O)O3)CC1)CCC2 1775958209 KOARBXJLBXGRIV-DLBZAZTESA-N 341.411 2.291 30 50 EEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OC 105211158 AJOZUAJEQPCWCU-VAOWDYPFSA-N 340.379 2.235 30 50 EEEA COCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccccc2C#N)C1 95519292 RVXXUQREVXHKKT-MRXNPFEDSA-N 338.411 2.421 30 50 EEEA Cc1cc(C[C@@H](C)NC(=O)c2cccc(C#CC(C)(C)O)c2)n[nH]1 952980717 YBNQZNLFWMRGEZ-CYBMUJFWSA-N 325.412 2.202 30 50 EEEA N#CCCOCCN1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952891576 GLVCOUJVYSVXLR-CQSZACIVSA-N 344.337 2.383 30 50 EEEA COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc(OC)c1OC 1430788 NSIQVASPKPPKFK-NSHDSACASA-N 331.368 2.323 30 50 EEEA Cc1cc(C#N)ccc1CCNC(=O)c1cc(C(N)=O)ccc1F 2325864438 ORDWHYFDODYVCG-UHFFFAOYSA-N 325.343 2.077 30 50 EEEA N#Cc1ccc(C(=O)N2CCC[C@@]23CCCN(C2CC2)C3=O)c(F)c1 2356137965 CIFPWEYYNLNCKH-LJQANCHMSA-N 341.386 2.457 30 50 EEEA CC(C)c1ccc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cn1 122212002 LWZADXPLMGAWEV-UHFFFAOYSA-N 343.408 2.336 30 50 EEEA Cc1nc(C)c(S(=O)(=O)Nc2cc(N(C)C)ccc2C#N)s1 178121703 PDYFPLVHCQSNSC-UHFFFAOYSA-N 336.442 2.498 30 50 EEEA CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C#N)c1)CC2 92046914 BELUEIPKPDMEDZ-UHFFFAOYSA-N 325.412 2.423 30 50 EEEA Cc1onc(CC(=O)N2CCN([C@H](C)c3ccsc3)CC2)c1C#N 331828367 JFRFGOYCOYEYDC-GFCCVEGCSA-N 344.440 2.364 30 50 EEEA Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C2)n1 952965517 DFBHRRIZGMPLFZ-HNNXBMFYSA-N 341.411 2.303 30 50 EEEA C[C@@H](SCC(=O)Nc1cccc(Br)c1)C(=O)NO 671997694 JKZVRVOSPATOEZ-SSDOTTSWSA-N 333.207 2.015 30 50 EEEA C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H]1[C@H]1CCCN1C 248107419 GJDJNTHQLJKYRY-QGTPRVQTSA-N 327.428 2.411 30 50 EEEA N#Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccn1 348252346 BKJDNIOSMKIXFI-XJKSGUPXSA-N 329.306 2.180 30 50 EEEA N#Cc1ccccc1N1CCN(C(=O)[C@H]2CC23CCOCC3)CC1 365830168 LIGCEUSKXUBFQA-MRXNPFEDSA-N 325.412 2.024 30 50 EEEA Cc1c(CN2CCCn3nc([C@H](O)C4CC4)cc3C2)cc(C#N)n1C 230553192 YKITVLUZNSGBGR-LJQANCHMSA-N 339.443 2.251 30 50 EEEA CCc1ccc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1 18161702 VDGWKYOGAGJQBF-UHFFFAOYSA-N 343.339 2.400 30 50 EEEA Cc1cc(N/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)no1 328627549 MWKFNMMLOUVBLJ-SECBINFHSA-N 343.309 2.787 30 50 EEEA N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(F)cn2)CC1 122919912 JSJFCCGHIBYYIC-UHFFFAOYSA-N 325.347 2.446 30 50 EEEA Cc1nc([C@H]2CN(C(=O)c3cc(C#N)ccc3Cl)CCO2)no1 367680140 IFGADLMEJKCCDO-CYBMUJFWSA-N 332.747 2.117 30 50 EEEA C=C[C@](C)(O)CC(=O)N1CCC(c2nccc(N3CCCC3)n2)CC1 952891593 GVLLVJWDKKKERO-IBGZPJMESA-N 344.459 2.110 30 50 EEEA CCOc1ccc(NC(=O)Cn2c3c(cc(C#N)c2=O)CCC3)cc1 952963208 DQLKXRPRNIESMO-UHFFFAOYSA-N 337.379 2.246 30 50 EEEA CS(=O)(=O)OCCCCCCCCCCOS(C)(=O)=O 100991124 GSTRCQFFHAZYPH-UHFFFAOYSA-N 330.468 2.060 30 50 EEEA CCOC(=O)C1CCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])CC1 4629031 UEBWYTZROPBFMU-UHFFFAOYSA-N 328.328 2.118 30 50 EEEA CCN1CCN(/C(O)=N/C(C2CC2)C2CC2)C[C@@H]1c1nccn1C 328633685 STRXDWIDILPLDD-OAHLLOKOSA-N 331.464 2.201 30 50 EEEA CN1CCN(C(=O)Cc2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)CC1 193085456 GSYLUWFEHBAREI-PKOBYXMFSA-N 340.471 2.497 30 50 EEEA CC1(C)CC(=O)C=C(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](O)C2)O1 209917474 NXAUTXRSHKTBGC-CVEARBPZSA-N 347.386 2.154 30 50 EEEA Cc1cc(C)c(C#N)c(N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)n1 1857720832 MRTMZSGPPLQEFP-DODZYUBVSA-N 326.444 2.116 30 50 EEEA C#CCO[C@@H](C)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952891558 FWNYJKGRFXUYNL-LBPRGKRZSA-N 343.358 2.014 30 50 EEEA CCOc1ncccc1C/N=C(/O)N1CCC(c2cnc[nH]2)CC1 328588775 WGJYDIGCZFOECX-UHFFFAOYSA-N 329.404 2.497 30 50 EEEA Cn1ccnc1[C@H](NC(=O)Cc1ccc(C#N)cc1)C1CCOCC1 286881870 OJYXNBIXEMCKBW-GOSISDBHSA-N 338.411 2.118 30 50 EEEA Cc1nc(/N=C(\N)Nc2ccccc2C(F)(F)F)[nH]c(=O)c1C 13634115 MCENUUBCWNVVRF-UHFFFAOYSA-N 325.294 2.464 30 50 EEEA CC#CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 834711929 WGOWPFCGMZKWNC-INIZCTEOSA-N 328.412 2.488 30 50 EEEA CC1(c2nnc(-c3ccccc3F)o2)CN(CCOCCC#N)C1 952892055 KEKQXASIJIQOLZ-UHFFFAOYSA-N 330.363 2.379 30 50 EEEA C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4005738 JLQPQZNXOIIXPL-OLZOCXBDSA-N 329.356 2.418 30 50 EEEA CCOC(=O)c1cnc2c(B3OC(C)(C)C(C)(C)O3)cccc2c1O 170005321 RNDDESVOOFLKPU-UHFFFAOYSA-N 343.188 2.416 30 50 EEEA Cc1cc(C)cc(CN2CCN(Cc3cc(C#N)n(C)c3)CC2=O)c1 72140539 HHZVUGPEJBNEFE-UHFFFAOYSA-N 336.439 2.358 30 50 EEEA CN(CCOc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 240540884 GPYBSABMHZXHOL-IAGOWNOFSA-N 336.457 2.225 30 50 EEEA Cc1nc(O)c(C#N)cc1C(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 253535317 SKUWBQSWMNGQQC-NVBFEUDRSA-N 343.408 2.271 30 50 EEEA C=CCN1C(=O)S/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)C1=O 13496557 BNSGMEWVMFPKAK-LCYFTJDESA-N 329.381 2.099 30 50 EEEA CC1(C)OB(c2ccc(C(=O)NC3CCCCC3)nc2)OC1(C)C 170006819 HVVMAPXWXDWCMS-UHFFFAOYSA-N 330.237 2.443 30 50 EEEA Cc1cc(N2CCc3ccc(S(C)(=O)=O)cc3CC2)c(C#N)cn1 425258437 WEMLGJSJOQNFJF-UHFFFAOYSA-N 341.436 2.270 30 50 EEEA C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1 154686514 YVJLYSVNTYJEOB-UHFFFAOYSA-N 328.372 2.408 30 50 EEEA N#Cc1ccc(N2CCC(NC[C@@H](CO)c3cccnc3)CC2)cc1 367553599 PYHYEFDRGARJEQ-SFHVURJKSA-N 336.439 2.288 30 50 EEEA Cc1c(Br)cc(C#N)c(=O)n1CC(=O)c1cccn1C 185939039 CHOBMJJOEPYPIM-UHFFFAOYSA-N 334.173 2.012 30 50 EEEA COc1cccc2c1CCCCN2S(=O)(=O)c1cccnc1C#N 276984311 FXBDAUXOSBUHSA-UHFFFAOYSA-N 343.408 2.493 30 50 EEEA CC(=O)Nc1cc(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)ccc1C 194813656 RRDPVIRNHVCIEG-INIZCTEOSA-N 335.429 2.266 30 50 EEEA C=CCN[C@@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 14748014 GZVVBNIUTBUFRY-MRXNPFEDSA-N 338.455 2.026 30 50 EEEA COC(=O)c1cc(C#N)c(N2CCC(C3CCNCC3)CC2)nc1C 1857671455 YBCIMACDYIKQBW-UHFFFAOYSA-N 342.443 2.264 30 50 EEEA N#CCc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 225795853 DTNPFUGAGPJLPZ-UHFFFAOYSA-N 333.347 2.377 30 50 EEEA COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O 1280591 INYYVPJSBIVGPH-QHRIQVFBSA-N 329.396 2.018 30 50 EEEA biogenic,in-vitro C=CCS[C@@H](C)C(=O)N1CCN(Cc2ccccc2CO)CC1 55196314 NJBNAQNRKDHXHF-HNNXBMFYSA-N 334.485 2.131 30 50 EEEA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)Cc2ccc(C#N)cc2)c1 282479704 LWANETNFTHZVHW-IEBWSBKVSA-N 336.391 2.444 30 50 EEEA O=C(c1cccs1)N1CCN(Cc2cc(C#CCO)cs2)CC1 828644605 KXCVPINTCXUFSD-UHFFFAOYSA-N 346.477 2.111 30 50 EEEA C=CCc1cc(C(=O)N(CC=C)[C@H]2CCS(=O)(=O)C2)ccc1OC 952960991 VKHRJINCBROJGR-INIZCTEOSA-N 349.452 2.239 30 50 EEEA O/C(=N/[C@H]1CC[C@H](O)CC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 329363912 ZTXVHOGASVOQSF-IHRRRGAJSA-N 333.436 2.079 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)N=N1 952882296 UGFLQSJKLATREX-OAHLLOKOSA-N 330.432 2.346 30 50 EEEA C[C@@H]1c2ccc(C#N)n2CCN1C(=O)[C@@]1([C@H]2CCCCO2)CCCO1 1875405742 NKRKGCDKRWNTLI-BJZITVGISA-N 343.427 2.381 30 50 EEEA N#Cc1cccnc1N1CCN(Cc2ccccc2F)[C@@H](CCO)C1 72408814 OPSKTIUBRWMQCL-KRWDZBQOSA-N 340.402 2.166 30 50 EEEA CC[C@@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C(=O)N(C)C 584898325 QHGQUMVUUIFZBS-MRXNPFEDSA-N 342.443 2.120 30 50 EEEA N#Cc1ccc(C(F)(F)F)nc1NCCNC(=O)c1cccnc1 301285404 LPILJVGJYUFYMW-UHFFFAOYSA-N 335.289 2.209 30 50 EEEA CN(Cc1nccs1)[C@@H]1CC12CCN(c1cnc(C#N)cn1)CC2 275609571 ISRPCHAIGIWBIW-CQSZACIVSA-N 340.456 2.296 30 50 EEEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)N1CCOCC1 405149657 PXCIDBXOJOJZOG-UHFFFAOYSA-N 346.236 2.158 30 50 EEEA CO/N=C/c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(F)cc2)cc1 2325707852 JCLWAYHUMSAQTC-IXJMWADBSA-N 330.315 2.189 30 50 EEEA Cc1cccc(NC(=O)[C@@H]2CCCN2c2nc3c(cc2C#N)COC3)n1 2325800423 GHOKARYDPCICOS-INIZCTEOSA-N 349.394 2.294 30 50 EEEA C=C(C)COc1ccccc1C(=O)N[C@H](C)c1nncn1CCOC 55413313 SKVANMDLBKXTIB-CQSZACIVSA-N 344.415 2.370 30 50 EEEA CN(C)c1ccc(N[C@H]2CCCN(c3cnc(C#N)cn3)CC2)cn1 328626617 FGOCMLZRSPXYKM-AWEZNQCLSA-N 337.431 2.280 30 50 EEEA N#Cc1c[nH]c2ccccc2c1=NC[C@H]1CCCN1c1cccnn1 371805566 NUZIPTLUAKTKQL-OAHLLOKOSA-N 330.395 2.399 30 50 EEEA Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@H](C#N)C2CC2)c1 170650210 HUMNSNARLXYQOB-CQSZACIVSA-N 341.440 2.351 30 50 EEEA O=S(=O)(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1 453026 YDLHBTGJVCSECF-LICLKQGHSA-N 348.449 2.493 30 50 EEEA C[C@H](C#N)CN(C)C(=O)[C@]1(C)CC[C@@]1(C)C(=O)N(C)C[C@@H](C)C#N 888095790 YJSLLSJCMYPGRG-DACLVMHWSA-N 332.448 2.029 30 50 EEEA C=CCn1nc(C(=O)O)c2c1CC[C@H](NCCNc1ccccc1)C2 67674848 GYOLIEFIZZMSRP-HNNXBMFYSA-N 340.427 2.326 30 50 EEEA C=CCOc1cc(Br)c(/C=N/NC(N)=S)cc1OC 2754034 YUTIACTVBTXOFP-VIZOYTHASA-N 344.234 2.190 30 50 EEEA Cc1cc(C)n(C[C@@H]2CCCCN2CC(=O)N[C@](C)(C#N)C2CC2)n1 257365811 PFJSEDKJZUENGZ-PKOBYXMFSA-N 343.475 2.163 30 50 EEEA CN(C[C@@H]1CCCCN1C)C(=O)c1cccc(C#CC(C)(C)O)c1 216941396 OXGPJEOFTBHONK-SFHVURJKSA-N 328.456 2.365 30 50 EEEA N#Cc1cc(NC(=O)CCn2cncn2)ccc1OC(F)(F)F 337792913 UNNPJSKBAHPTJP-UHFFFAOYSA-N 325.250 2.077 30 50 EEEA N#Cc1csc(CNc2cccc(C(=O)N3CCC[C@H]3CO)n2)c1 190213125 QWLVKNIARLIUPB-ZDUSSCGKSA-N 342.424 2.224 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N(CCO)Cc2ccc(F)cc2)o1 1506415689 BRNRJOKHZKRVQP-UHFFFAOYSA-N 345.370 2.176 30 50 EEEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1cn(CCN2CCCCC2)nn1 207998179 WNDMYARIUOBJRH-IRXDYDNUSA-N 343.475 2.499 30 50 EEEA Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCOCC2)cc1 17858794 CYMNENNJRJQNSV-VHEBQXMUSA-N 344.436 2.463 30 50 EEEA C#CCCC1(CCNC(=O)c2cccc(CN=c3ccnc[nH]3)c2)N=N1 2325891082 PSUIFWZCIWATMP-UHFFFAOYSA-N 348.410 2.206 30 50 EEEA C=CCn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C 79507 YTCOAKPNLWIBQT-UHFFFAOYSA-N 342.424 2.210 30 50 EEEA O/C(Cn1cccn1)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328642279 YJUDBTRTHWBOSM-JTQLQIEISA-N 327.310 2.318 30 50 EEEA C[C@@H]1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)o1 286820373 IUMUPTGYYYBHRJ-CQSZACIVSA-N 345.424 2.046 30 50 EEEA C=CCN1C[C@@H]2CN(C(=O)c3cccc(Cl)c3C)C[C@]2(C(=O)O)C1 91434219 BTZKZUXCKNMPCS-FZKQIMNGSA-N 348.830 2.293 30 50 EEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1C=Cc1ccccc1OC 1857533232 JCFGNHSQKKWCNT-AWEZNQCLSA-N 328.368 2.393 30 50 EEEA N#Cc1ccnc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 348261676 PZOMZJCWEUFDIC-WBMJQRKESA-N 329.306 2.180 30 50 EEEA CN(C)C(=O)C[C@@H]1CN(c2c(Cl)cc(C#N)cc2Cl)C[C@H]1O 1875398257 JDHBLDOZVQPTEG-ZWNOBZJWSA-N 342.226 2.140 30 50 EEEA CC(=O)N1C[C@@H](NC(=O)C2(C#N)CCCC2)CC[C@@H]1C(F)(F)F 886034147 XSKVVOJGJYZGRC-NWDGAFQWSA-N 331.338 2.128 30 50 EEEA CN(C)N1C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 1422728 QRRPMWJGFVIYQF-CYBMUJFWSA-N 329.356 2.394 30 50 EEEA CN(CCC#N)C[C@H](O)CNC[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 2325777207 MHAISDLZUYNBAZ-NCOXYXGASA-N 347.425 2.397 30 50 EEEA Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C(N)=O)cc2)n1 614418 IVQNOOLRQZTJCA-UHFFFAOYSA-N 340.408 2.400 30 50 EEEA CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 105209528 QHABDZVHFXVBPH-JNUFDREFSA-N 335.407 2.284 30 50 EEEA CCN1CCN(C(O)=Nc2cc(C)ccn2)C[C@@H]1c1nccn1C 328627358 MSDVBKAWEOCPPG-CQSZACIVSA-N 328.420 2.048 30 50 EEEA CC(C)(O)C#Cc1cccc(-c2nc(-c3ccco3)nn2CCO)c1 952866563 CIDLSQTYLAJIIA-UHFFFAOYSA-N 337.379 2.320 30 50 EEEA CC1CC(n2nnc3c2CN(C[C@H](O)c2ccc(C#N)cc2)CC3)C1 879329938 OZQWQJIRMUCYFC-ZVYVSMAVSA-N 337.427 2.212 30 50 EEEA C[C@@H](CCc1ccccc1)NS(=O)(=O)CCO[C@@H](C#N)C1CC1 1775989579 QAMFKHCJBWFAJT-YOEHRIQHSA-N 336.457 2.246 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2CCN2Cc2ccc(OC)cc2)N=N1 2325891659 UDYFGXVNBLYLEJ-QGZVFWFLSA-N 340.427 2.351 30 50 EEEA C=CCOc1cccc(CN(CC)C(=O)c2nc3ncccn3n2)c1 63870699 GBBQWFGLSRWZFM-UHFFFAOYSA-N 337.383 2.351 30 50 EEEA CCOCC/N=C(/O)N1CCC[C@H](N(C(C)=O)C2CCC2)CC1 328646533 SQVHKZBBKBFBJR-INIZCTEOSA-N 325.453 2.192 30 50 EEEA Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccc(C#N)cc1 328627636 GJOPOJSBXHIOOU-IRXDYDNUSA-N 342.374 2.197 30 50 EEEA N#Cc1c[nH]ccc1=NC(=O)[C@H]1CCN(c2ccccc2Cl)C1 361855341 OTSGCUKFZINATF-LBPRGKRZSA-N 326.787 2.494 30 50 EEEA C[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC(=O)N1 296387762 WMSUPROCEARNKZ-AWEZNQCLSA-N 349.390 2.098 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 952974191 IZAHWZBPMRUJNS-MOPGFXCFSA-N 335.403 2.197 30 50 EEEA CCn1cc(N(CC(=O)N(CCC#N)CCC#N)CC(C)C)cn1 408524624 WOUFTCUFOKAWGL-UHFFFAOYSA-N 330.436 2.021 30 50 EEEA C=CCOc1c(Br)cc(CNc2nn[nH]n2)cc1OC 12418882 XMWOUZXIDLGYFJ-UHFFFAOYSA-N 340.181 2.148 30 50 EEEA N#C[C@H]1CN(Cc2cc(C(N)=O)cs2)CCN1Cc1ccccc1 157338521 PVQCWGNMPUHVQY-INIZCTEOSA-N 340.452 2.057 30 50 EEEA C#CCCC1(CCC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)N=N1 952879888 ANKBOWUUPUPTHZ-INIZCTEOSA-N 332.448 2.102 30 50 EEEA N#Cc1ccc(NC(=O)CN2CC[C@H](c3ncccn3)C2)cc1Cl 952993517 OBHLQAMSAVFPOE-ZDUSSCGKSA-N 341.802 2.430 30 50 EEEA CCCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 20595124 YUCWJGVZDHTFAB-UHFFFAOYSA-N 346.500 2.465 30 50 EEEA CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2c(c1)ncn2C 170008505 AJXFYIOWCKNTCR-UHFFFAOYSA-N 330.193 2.049 30 50 EEEA Cc1ccc(CC/C(O)=N/C2CCN(c3nccn(C)c3=O)CC2)o1 328633705 MEHWMWLYABGFKB-UHFFFAOYSA-N 344.415 2.240 30 50 EEEA C=CCN(C)C(=O)NCCNC(=O)c1ccc(Br)cc1 162918892 ZQKHQJMEIZTUOZ-UHFFFAOYSA-N 340.221 2.006 30 50 EEEA Cc1c([C@@H](C)N2C(=O)N[C@H](C3CC3)C2=O)cnn1-c1ccc(C#N)cc1 170614001 BIKVMMKPSRCCCG-PIGZYNQJSA-N 349.394 2.444 30 50 EEEA COc1ccc(C(=O)O/N=C2/C(=O)N(C)c3ccccc32)cc1OC 4559236 ACHFOCGLAZZWOA-KNTRCKAVSA-N 340.335 2.241 30 50 EEEA C#CCCC1(CCNC(=O)Cc2sc(-c3cc[nH]n3)nc2C)N=N1 1875381599 ANRNAGSHXSKQPK-UHFFFAOYSA-N 342.428 2.466 30 50 EEEA O=[N+]([O-])c1ccc(O)c(/C=N/N=C/c2cc([N+](=O)[O-])ccc2O)c1 6861885 ULNJZDPQMMBRNH-BGPOSVGRSA-N 330.256 2.367 30 50 EEEA C#CCN(CC#N)C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 328587900 IKLCUHGXGGWHBR-QGZVFWFLSA-N 337.423 2.141 30 50 EEEA C[C@@H](/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1)c1cccnc1 328630729 JQCBOKMFVSJJFH-UWTIGNOOSA-N 331.416 2.469 30 50 EEEA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2ccc(C#N)c(C)n2)c1 282650505 XQUBIUTZTRHVPE-MAUKXSAKSA-N 337.379 2.218 30 50 EEEA COc1cc(/C=N/n2cn[nH]c2=S)cc(Br)c1O 4056297 MOXJTJWMELWCKT-YIXHJXPBSA-N 329.179 2.300 30 50 EEEA O=C(O)Cn1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 13154415 FTAMQRRWPGJGID-WSVATBPTSA-N 339.311 2.475 30 50 EEEA CN(CCC#N)C[C@@H](O)CNC[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 2325777208 MHAISDLZUYNBAZ-XJCPWDRGSA-N 347.425 2.397 30 50 EEEA C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2ccc(C#N)cc2)C[C@@H](C)O1 249884700 OOZRGKDTKFKZHL-GPMSIDNRSA-N 341.455 2.201 30 50 EEEA CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(F)cc1 20081561 LUUGQLZAKKZXPH-MRXNPFEDSA-N 334.391 2.452 30 50 EEEA C[C@H](ON=C(N)C1CCOCC1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 252516767 WUFOGLZTDUSSOI-GUIRCDHDSA-N 325.453 2.031 30 50 EEEA CN1CCC2(CC1)CCN(C(=O)CC/N=C(/O)OC(C)(C)C)C2 328591891 NNWZRQOGKFISNH-UHFFFAOYSA-N 325.453 2.050 30 50 EEEA C[C@@H]1CN(C(=O)c2ccccc2C#N)CC[C@@]1(O)C1CCOCC1 91974020 QGEPYVQJLYGSGU-KUHUBIRLSA-N 328.412 2.198 30 50 EEEA C=CCN1C[C@H](C(=O)Nc2ccccc2CN2CCCC2)CC1=O 952961032 AKIJICYHHJNUTO-MRXNPFEDSA-N 327.428 2.255 30 50 EEEA C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 12421451 IAFFRPSKIJMCEA-RBUKOAKNSA-N 334.435 2.127 30 50 EEEA C#Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3F)C2)c1 1875334902 JQFNXTJRQKSOMY-OAHLLOKOSA-N 337.354 2.189 30 50 EEEA CC[C@H](NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1)C(=O)O 4694017 BEXOIUBCCXUVFB-INIZCTEOSA-N 329.396 2.326 30 50 EEEA CN(C)[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)c1cccc(F)c1 253432020 ZLALHMGYOCMYTA-HNNXBMFYSA-N 339.436 2.042 30 50 EEEA N#Cc1ccc(O[C@@H]2CCN(Cc3cnnn3-c3ccccc3)C2)nc1 366372808 VJMGYWFISAKNBS-GOSISDBHSA-N 346.394 2.187 30 50 EEEA C#Cc1cccc(N(C)C(=O)CNC(=O)c2ccc(F)c(F)c2)c1 125764556 AJHUBRQSLOWBOW-UHFFFAOYSA-N 328.318 2.339 30 50 EEEA C=CCN1CCC[C@H]1C(=O)NCCOc1cccc2cccnc12 534661275 YLKTVDVKUYRAMY-INIZCTEOSA-N 325.412 2.380 30 50 EEEA CC(=O)N1CCCN(C(=O)c2cccc(-c3cccnc3C#N)c2)CC1 299788626 VUFAZPDPNZWMLR-UHFFFAOYSA-N 348.406 2.315 30 50 EEEA Cc1ccc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1C 18161706 FKFLKZKSNYWISP-UHFFFAOYSA-N 343.339 2.454 30 50 EEEA C#CCCCCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 1875297842 FNPCZEOMYZXPOQ-UHFFFAOYSA-N 334.441 2.433 30 50 EEEA N#Cc1ccccc1C(=O)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565527801 SQDRIEJYLVLNFT-ROUUACIJSA-N 337.379 2.057 30 50 EEEA C/N=C(/NC[C@@H]1CCOC1)N1CCN(c2cccc(Cl)c2)CC1 170626653 OURNLAZBCONHTL-AWEZNQCLSA-N 336.867 2.074 30 50 EEEA O=C(O)COc1ccccc1/C=N/N1CCN(c2ccccc2)CC1 55610 VIMBCXLYHLIYQE-XSFVSMFZSA-N 339.395 2.306 30 50 EEEA C=CCC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12589327 RHQWURNGSVCTTK-LBPRGKRZSA-N 326.318 2.499 30 50 EEEA COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C1CC1 365528676 SPXYSDKKDSWIGK-MRXNPFEDSA-N 325.412 2.385 30 50 EEEA Cc1c(CN[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)c2ccccn2c1C#N 1875399865 LAANIVLTHWKGMP-WRWLIDTKSA-N 349.438 2.245 30 50 EEEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(N(C)C)cc2)c2ccccc21 135004 JKKVVFMPJRZDMD-NRFANRHFSA-N 348.402 2.193 30 50 EEEA C[C@@H](NC(=O)c1cc(Cl)cn1C)/C(O)=N/CCN1CCCCC1 328589906 NSIMZSNPSSVARZ-GFCCVEGCSA-N 340.855 2.239 30 50 EEEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cnn(C)c1C 2759361 ADZDUNRLNGCZIL-MRXNPFEDSA-N 329.400 2.260 30 50 EEEA N#Cc1cnccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 367347728 MOZQMNCJUFOLGN-HXUWFJFHSA-N 347.466 2.350 30 50 EEEA N#Cc1ccc(N2CCc3[nH]c(-c4ccc(C(N)=O)cc4)nc3C2)nc1 218953050 UZIODXUAFZQECC-UHFFFAOYSA-N 344.378 2.005 30 50 EEEA N#Cc1cccc(N2CCN(CC3CCCCC3)[C@H](CCO)C2)n1 72463078 NMFMUNUWVXWZTM-GOSISDBHSA-N 328.460 2.407 30 50 EEEA N#Cc1ccccc1/C=C/C(=O)N1CCCC[C@H]1CN1CCOCC1 171865812 BVNWMBRDNKPDGU-SGQUHAKNSA-N 339.439 2.285 30 50 EEEA CC(=O)Nc1ccc(/C(C)=N/NS(=O)(=O)c2ccccc2)cc1 12343281 PRXZGLNQUFDJFZ-LDADJPATSA-N 331.397 2.348 30 50 EEEA CNC(=O)c1ccn([C@H]2CCCN(c3nccc(C#N)c3Cl)C2)n1 252508483 XNWZEZRPSRBWNX-LBPRGKRZSA-N 344.806 2.004 30 50 EEEA CC[C@H](C)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 265116204 DEIJTTOQACDZSU-DOTOQJQBSA-N 335.473 2.072 30 50 EEEA CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ccc(C#N)cn1 952993397 GSMSSOVPBBUHIO-NSHDSACASA-N 336.321 2.306 30 50 EEEA CC(C)N1CCC[C@H](CCNS(=O)(=O)c2ccc(C#N)cc2)C1 67783790 AEGJMERTCQUJLZ-MRXNPFEDSA-N 335.473 2.347 30 50 EEEA CC[C@H](Cn1ccnc1)NC(=O)c1ccc(C#CC(C)(C)O)cc1 217425537 CNQZWRSYNNAQNZ-QGZVFWFLSA-N 325.412 2.214 30 50 EEEA N#Cc1c2c(cn(C[C@H]3CCN(C(=O)c4ccccc4)C3)c1=O)CCC2 242273438 YCQIIHMJIUXXPU-HNNXBMFYSA-N 347.418 2.371 30 50 EEEA Cc1ccc(N2C[C@@H](CO)[C@H](c3cnn(C(C)C)c3)C2)nc1C#N 299742971 LDEMZGNTNBCPSZ-HOTGVXAUSA-N 325.416 2.251 30 50 EEEA Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)[C@@](C)(C#N)C1CC1 170609168 RXWMMLUFEQPSOA-INIZCTEOSA-N 338.477 2.469 30 50 EEEA CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 19314381 JTIBFJRFYOMMSC-UHFFFAOYSA-N 332.473 2.075 30 50 EEEA CC1(C)OB(c2cccc(Cl)c2CN2CCOCC2)OC1(C)C 169955978 PYDIRZUVMFNSLS-UHFFFAOYSA-N 337.656 2.471 30 50 EEEA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(C#N)oc2C)C1 330549009 BHEZZLRCQUTYFL-GWCFXTLKSA-N 343.305 2.131 30 50 EEEA COc1cc(N[C@@H]2CCCN(c3cnc(C#N)cn3)C2)cc(OC)c1 127138328 DBNKVPMPDJZTFU-CYBMUJFWSA-N 339.399 2.446 30 50 EEEA Cc1ccc([C@@H](N)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 877250409 PNIVFLYMNMJWMJ-LJQANCHMSA-N 334.423 2.215 30 50 EEEA C#CCCC1(CCNC(=O)c2cccc3nc(COC)[nH]c23)N=N1 2325891957 OGCNSGBYSHWVDY-UHFFFAOYSA-N 325.372 2.405 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2nc(C3CC3)ns2)C1 328613135 QVTPCWVVPQJGNQ-CQSZACIVSA-N 334.405 2.189 30 50 EEEA CCN(C1CCN(c2c(Cl)cccc2C#N)CC1)S(C)(=O)=O 266390396 NXAQMBIAWLAGPL-UHFFFAOYSA-N 341.864 2.462 30 50 EEEA C/C(=N/NS(=O)(=O)c1ccc(C)cc1)[C@]12[C@H]3[C@H]4[C@@H]5C[C@H]([C@H]41)[C@@H]2[C@@H]53 257346667 ZQQVKCRFFOXSQC-DSRUBFEWSA-N 328.437 2.407 30 50 EEEA N#Cc1cccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 301263264 GUTWHCXMKMXTND-UHFFFAOYSA-N 328.322 2.194 30 50 EEEA N#CCSCC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 194743142 HBDVNCNTWKGTSJ-UHFFFAOYSA-N 339.411 2.302 30 50 EEEA O=C(O)COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1 13352278 KHXXCDOIBMWFGJ-LICLKQGHSA-N 329.381 2.471 30 50 EEEA COC(=O)c1cc2n(n1)CCN(c1nc3ccccc3c(C)c1C#N)C2 1857707575 DQBVJLQRGCWUSE-UHFFFAOYSA-N 347.378 2.418 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(c3cccc(F)c3)C(=O)C2)N=N1 952879501 DXKJMWMJSUCZAC-UHFFFAOYSA-N 342.374 2.357 30 50 EEEA CC(=O)N1C[C@@H](NC(=O)C2(C#N)CCCC2)CC[C@H]1C(F)(F)F 886034148 XSKVVOJGJYZGRC-RYUDHWBXSA-N 331.338 2.128 30 50 EEEA CO[C@H](C(=O)NS(=O)(=O)c1cc(C#N)ccc1C)c1ccccc1 114989220 BKKFUZOUEQMHOC-INIZCTEOSA-N 344.392 2.059 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NCc2n[nH]c3c2CCCCC3)o1 67654521 PQEYYQDBPXVDSK-UHFFFAOYSA-N 341.411 2.324 30 50 EEEA C=CCN(Cc1cccs1)C(=O)C(=O)NCCc1ccccn1 253407559 CADDVTUCNCNTFU-UHFFFAOYSA-N 329.425 2.017 30 50 EEEA COc1cccc(C[C@@H]2CN(c3ccnc(OC)c3C#N)CCO2)c1 71748599 ULLYKXNWZURNRW-MRXNPFEDSA-N 339.395 2.418 30 50 EEEA COc1nccc2c(NC(=O)N3CC[C@](O)(CC#N)C3)cccc12 1365061528 MUOUFCABEDDUSB-QGZVFWFLSA-N 326.356 2.126 30 50 EEEA COCCN1CCC[C@@]2(CCN(c3nc(C)cc(C)c3C#N)C2)C1=O 91770669 UPSCILJBRYUPHB-IBGZPJMESA-N 342.443 2.035 30 50 EEEA CO[C@H]1C[C@H](c2nnc(C)o2)N(CCOc2cccc(C#N)c2)C1 1775957648 FYBLBMHHGZTAAP-JKSUJKDBSA-N 328.372 2.091 30 50 EEEA C[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 191576703 SFYGNOFIDSGDRW-LPHOPBHVSA-N 341.455 2.408 30 50 EEEA N#Cc1ccc(OCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)cc1 261952351 WMGJTAWMLLUYSO-BMFZPTHFSA-N 328.368 2.181 30 50 EEEA CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cc(C#N)ccc1Cl 160688938 VLJMHAPWYUANDB-SECBINFHSA-N 330.793 2.085 30 50 EEEA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2cnccc2C#N)cn1 886079127 MIRNHUZUGVFRHV-WMLDXEAASA-N 339.399 2.067 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NCCN2CCc3ccccc32)o1 952971351 CZXZEVTVLQLDDI-UHFFFAOYSA-N 338.407 2.195 30 50 EEEA C=CCN[C@@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1 14743135 RHQXOBGXOPHGFW-MRXNPFEDSA-N 338.455 2.118 30 50 EEEA CN1CCCC(C)(C)[C@@H]1C/N=C(/O)NCc1nccn1C(F)F 331311459 GWPSRFUJZJTFDI-NSHDSACASA-N 329.395 2.402 30 50 EEEA N#Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)ccc1F 1875327507 ZSUZZSAGLOCMJE-AEFFLSMTSA-N 337.354 2.447 30 50 EEEA CCn1ccc(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)n1 6726735 MDTVWOQVEFMFKJ-UHFFFAOYSA-N 331.401 2.099 30 50 EEEA C=CCOc1ccc(C(=O)NCc2cc(COC)[nH]n2)cc1OCC 55042221 FCLYZXFDVGEEER-UHFFFAOYSA-N 345.399 2.450 30 50 EEEA O=C(c1cccc2c1OCO2)N1CSC[C@@H]1/C(O)=N/CC1CC1 329310506 ZLKGDJHVFWNPDG-GFCCVEGCSA-N 334.397 2.297 30 50 EEEA O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H]1C[C@@H]1[N+](=O)[O-] 170591174 RKCHZFQKNQWCHC-DMTCNVIQSA-N 345.142 2.366 30 50 EEEA CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@@H]1c1cccnc1 5091690 URQRCYXRHPIACU-LLVKDONJSA-N 328.397 2.245 30 50 EEEA Cn1ccnc(N2CCC(/N=C(/O)Cc3ccc(F)cc3)CC2)c1=O 328633206 LWRYFUBFJKUMCK-UHFFFAOYSA-N 344.390 2.087 30 50 EEEA C[C@@H](NC(=O)[C@H]1COCCN1C1CCCC1)c1cccc(C#N)c1 253425385 IVWVCKUIYLQSED-RDTXWAMCSA-N 327.428 2.379 30 50 EEEA C#CCCC1(CCNC(=O)c2cnc(-c3cnn(C)c3)s2)N=N1 2325887303 FCCQGEDLJYEVJB-UHFFFAOYSA-N 328.401 2.239 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](C(=O)OC)C2=CC[C@H]3C[C@@H]3C2)N=N1 2325892844 JPBNXTOSKGJKLR-JGGQBBKZSA-N 329.400 2.356 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1[N+](=O)[O-] 237388 KMQYZWJNPAKLOK-IAQYHMDHSA-N 346.339 2.058 30 50 EEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)[C@H]2CC23CCOCC3)C1 328635838 NQQGZSFWZCQXAB-YMAMQOFZSA-N 336.432 2.087 30 50 EEEA C[C@H](/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1)c1cccnc1 328630728 JQCBOKMFVSJJFH-JQRITLKVSA-N 331.416 2.469 30 50 EEEA Cc1noc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n1 284979469 FPFZJWQZNPLRHY-UHFFFAOYSA-N 329.335 2.244 30 50 EEEA CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 426581016 MOOILBWYIQLUEF-SFHVURJKSA-N 348.406 2.361 30 50 EEEA Cc1cnn(-c2ccc(NC(=O)N3CC[C@](O)(CC#N)C3)cc2F)c1 952878578 AVBKBPQNULPVMU-QGZVFWFLSA-N 343.362 2.202 30 50 EEEA N#Cc1cncc(N2CCC[C@@H](c3ncc(Br)cn3)C2)n1 952994119 MGBNZSWHCCBXIO-SNVBAGLBSA-N 345.204 2.285 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)N=N1 1775994896 OUOXWXPDFRPMPR-INMHGKMJSA-N 333.432 2.121 30 50 EEEA Cc1csc([C@H]2CN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CCO2)n1 225818920 DKCZKBFRINMYNU-CYBMUJFWSA-N 345.384 2.392 30 50 EEEA N#Cc1ccc(OC[C@@H](O)CN2CCOc3cccc(F)c3C2)cc1 374502940 HPUKVWFQNOVNBY-HNNXBMFYSA-N 342.370 2.332 30 50 EEEA COCCN1CCC[C@@]2(CCCN2Cc2cccc(C#N)c2)C1=O 2100557159 XMRZAHUCHVTXIP-LJQANCHMSA-N 327.428 2.162 30 50 EEEA O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)[C@@H]1CCC2(CC2)C1 2325810132 ZOIQMESQCYNNHO-CQSZACIVSA-N 326.348 2.459 30 50 EEEA N#CCCN(CCC#N)S(=O)(=O)c1ccc(Br)cc1 3129878 QIFQFKVXKOWWTL-UHFFFAOYSA-N 342.218 2.267 30 50 EEEA COC(=O)c1ccc(C(=O)OC)c(NC(=O)C#Cc2ccccc2)c1 6729107 FNUSOTPYBKKYMW-UHFFFAOYSA-N 337.331 2.250 30 50 EEEA CN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 247986926 ZJGHUXRTLFXBMS-GVDBMIGSSA-N 348.468 2.077 30 50 EEEA CC(C)c1nnc([C@H]2CN(C(=O)c3sccc3C#N)CCO2)o1 328610921 JQJAFJVLJFSPPM-LLVKDONJSA-N 332.385 2.340 30 50 EEEA CC(C)n1cc(C(=O)N2CCN(Cc3ccccc3C#N)CC2)cn1 77427034 WWOSKHZFZVWAJG-UHFFFAOYSA-N 337.427 2.294 30 50 EEEA COc1ccc(N2CCN(C(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1 91756705 WRMWTAVVGQHIPQ-CQSZACIVSA-N 349.390 2.444 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2)cc1 15412851 UKTFFQKQPQKOMT-UHFFFAOYSA-N 346.408 2.412 30 50 EEEA C=C(C)COc1ccccc1CNCCS(=O)(=O)N1CCCC1 55402936 FRZXHZKDSLKGFM-UHFFFAOYSA-N 338.473 2.157 30 50 EEEA Cc1ncc(/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C)n1 328626994 MIRRYXPRBFUXLW-RDJZCZTQSA-N 325.416 2.486 30 50 EEEA N#Cc1cc(F)cc(C(=O)NC[C@H]2CC(=O)N(C3CCCC3)C2)c1 826768252 SCKIGJQIRYHFSC-CYBMUJFWSA-N 329.375 2.218 30 50 EEEA CC(=O)c1cnc(NC2CCN(c3ncccc3C#N)CC2)nc1C 1772707638 XWXYXSFRBHPXKK-UHFFFAOYSA-N 336.399 2.335 30 50 EEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc(C#N)c(F)c3)n[nH]c21 1875293911 HPAMUZRBXDZNFW-ZJUUUORDSA-N 328.347 2.373 30 50 EEEA C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(N)=O 6727074 KOSMLJVBWPTHPW-UHFFFAOYSA-N 332.429 2.237 30 50 EEEA Cc1nc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)ccc1C#N 348259705 ADVVSMSYZWGVRL-NVXWUHKLSA-N 325.343 2.349 30 50 EEEA CN(Cc1ccc2nonc2c1)C(=O)c1ccc(C#CC(C)(C)O)o1 952984732 AGLNGSZVJUFKNK-UHFFFAOYSA-N 339.351 2.210 30 50 EEEA C=C(C)CN(CC)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 190252760 HNHSILVPXDXZSD-QGZVFWFLSA-N 340.427 2.267 30 50 EEEA C=CCn1c(S[C@@H](C)C(=O)N2CCCC2)nnc1C1CCNCC1 426641567 PNYBNGIAMUGPSC-ZDUSSCGKSA-N 349.504 2.034 30 50 EEEA CCCCCCCN1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 222291591 AJUYAHMXKQBBAM-UHFFFAOYSA-N 346.523 2.356 30 50 EEEA CC#CCS(=O)(=O)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 253425123 AYZIQSMKBQMOCO-LBPRGKRZSA-N 333.331 2.192 30 50 EEEA CC1(c2nnc(-c3cccc(F)c3)o2)CN(CCOCCC#N)C1 1328477720 LDXQNSFBMKNQLV-UHFFFAOYSA-N 330.363 2.379 30 50 EEEA C#CCN1CCn2c(Cc3cccc(Br)c3)nnc2C1 225675031 IABCSKOUNULGDR-UHFFFAOYSA-N 331.217 2.080 30 50 EEEA C#CCOC(=O)Cn1c(=O)sc2cc(Br)ccc21 5494274 HHDSPNVCXQFYNB-UHFFFAOYSA-N 326.171 2.002 30 50 EEEA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCc2cc(C#N)ccc21 496720664 XHXLQFQREDHGSP-OAHLLOKOSA-N 327.384 2.457 30 50 EEEA CCCOC[C@H]1C[C@@]2(S/C(=N/c3ccc(C)cc3)NC2=O)C(=O)O1 9350694 VRJYEHGOYYFFMJ-DYVFJYSZSA-N 348.424 2.326 30 50 EEEA CN(C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2C1(F)F 2325792149 GIHILAWFWWTFKP-KJWHEZOQSA-N 325.403 2.218 30 50 EEEA C=CCN(Cc1ccccc1OCC)C(=O)C[C@H]1CN(C)CCN1C 55392840 FNOROEFVXINHJC-SFHVURJKSA-N 345.487 2.236 30 50 EEEA C=C(C)COc1ccccc1C(=O)NCCN1CCCC[C@@H]1CO 55120399 AWAJHCWGQAWGLZ-MRXNPFEDSA-N 332.444 2.218 30 50 EEEA N#Cc1cccc(/C=C/C(=O)N2CCCC[C@H]2CN2CCOCC2)c1 110952071 VAJCJKWZWGAXCV-UCFODXPJSA-N 339.439 2.285 30 50 EEEA O=C(N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)[C@@H]1CO1 1875372416 FSQATRZDETZCET-GUYCJALGSA-N 338.363 2.099 30 50 EEEA C[C@@H]1c2ccc(C#N)n2CCN1C(=O)[C@]1([C@@H]2CCCCO2)CCCO1 1875405743 NKRKGCDKRWNTLI-DKSSEZFCSA-N 343.427 2.381 30 50 EEEA Cc1cc(C)c(C#N)c(N2CC[C@H](C3CC3)[C@@H]2c2nnc(O)n2C)n1 1875400130 RKUYRCSNUORAQN-UKRRQHHQSA-N 338.415 2.382 30 50 EEEA C[C@H]1OCCC[C@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 188728934 GZEBMYPFIMNRIJ-NVXWUHKLSA-N 327.428 2.412 30 50 EEEA C#CCCC1(CCC(=O)Nc2nnc(CCCC(=O)OC)s2)N=N1 2325894808 QLCPHHHJLOBMSX-UHFFFAOYSA-N 349.416 2.328 30 50 EEEA N#Cc1c(NC(=O)C(=O)NCc2ccncc2)sc2c1CCCC2 4840529 KNCVKQNNICSBAY-UHFFFAOYSA-N 340.408 2.148 30 50 EEEA COC(=O)[C@@H]1C(=O)/C(=C\Nc2cccc([N+](=O)[O-])c2)C(=O)CC1(C)C 101144940 QTQAXYDCNKGTPR-UQTJOTSZSA-N 346.339 2.248 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2nc(C)ccc2C#N)C1 328613348 ROVFSLOWFLTRPS-MRXNPFEDSA-N 326.360 2.035 30 50 EEEA COCCCN1C[C@]2(CCCN(c3ccc(C#N)cn3)C2)CCC1=O 72425664 WBACCPUYJMAHRU-LJQANCHMSA-N 342.443 2.199 30 50 EEEA N#Cc1ccc(C(=O)N2CC[C@](O)(Cc3cccc(Cl)c3)C2)cn1 378332346 MIKHBUUYJRCFBK-SFHVURJKSA-N 341.798 2.426 30 50 EEEA CC[C@@H](c1ccnn1C)n1cc(-c2cc(C#CCO)cs2)nn1 91551838 GYRWZIGDJWSAFP-AWEZNQCLSA-N 327.413 2.083 30 50 EEEA C=CCOc1ccc(C(=O)N[C@H]2CCCN(CCOC)C2)cc1OC 408512855 XMEHROOIDPNDQE-INIZCTEOSA-N 348.443 2.101 30 50 EEEA CCN1CCN(/C(O)=N/Cc2ccccc2)C[C@@H]1c1nccn1C 328618923 FEXWHFLAVLVLEI-MRXNPFEDSA-N 327.432 2.213 30 50 EEEA COc1ccccc1CC(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1 4845040 KYOKQORWNKMJGV-UHFFFAOYSA-N 329.312 2.010 30 50 EEEA Cc1cnc(N(C)CCCc2n[nH]c(N)c2C#N)c(Br)c1 225491275 XJIJQFYKGSGWOX-UHFFFAOYSA-N 349.236 2.399 30 50 EEEA CCOC(=O)/C(=N/Nc1ccc(C(C)=O)cc1)c1csc(N)n1 22204380 JTMUNRRLQAWNLH-CPNJWEJPSA-N 332.385 2.307 30 50 EEEA N#Cc1ccccc1-c1ccc(CN2CC[C@]3(C2)NC(=O)NC3=O)cc1 371039878 ITPDLARCSRABQG-HXUWFJFHSA-N 346.390 2.009 30 50 EEEA CN1CCN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)C[C@H]1CCO 426628348 VZLBKAJIPBPOHH-HXUWFJFHSA-N 349.434 2.364 30 50 EEEA C[C@@H]1CC[C@@H](CC/C(O)=N/C2CCN(c3nccn(C)c3=O)CC2)O1 328657031 ZXRSXIWFSLHLBN-HIFRSBDPSA-N 348.447 2.053 30 50 EEEA Cc1ccc(C(=O)O)cc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 8844123 WBVDKHMHBGUFDW-UHFFFAOYSA-N 348.362 2.286 30 50 EEEA C=C(C)COc1ccccc1CN1CCC(NS(C)(=O)=O)CC1 55099582 NHMFFRATKZOVJY-UHFFFAOYSA-N 338.473 2.155 30 50 EEEA C[C@@H]1CCO[C@H]1/C(O)=N/[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 328604852 LLORZJRKEVSKPO-QVHKTLOISA-N 336.436 2.371 30 50 EEEA Cc1ccc(NC(=O)N2CCC[C@](CO)(CN(C)C)C2)cc1C#N 299783075 UAHSOGPCMDAZJR-SFHVURJKSA-N 330.432 2.035 30 50 EEEA CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 275957647 MPPKHXPXJATOGC-MRXNPFEDSA-N 329.448 2.188 30 50 EEEA CCO[C@H]1C[C@](O)(CNC(=O)c2c(F)cc(C#N)cc2F)C1(C)C 191785935 WBIVJVGNUVDANG-GUYCJALGSA-N 338.354 2.132 30 50 EEEA O=C([C@@H]1CO1)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 1875372655 KJQVEBXIILVBNP-INIZCTEOSA-N 327.359 2.388 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C#N)cc1 886095358 TUAAGNZOHPZQQU-AEFFLSMTSA-N 338.411 2.416 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCCc3cnn(CCOC)c32)N=N1 2325892477 OOLLCDDVHTXXIH-OAHLLOKOSA-N 343.431 2.379 30 50 EEEA COc1cccc(C/N=C(/O)N2CCN(C)c3ccccc3C2)n1 328586725 KWLINGUQXLRZNE-UHFFFAOYSA-N 326.400 2.456 30 50 EEEA O/C(=N/[C@@H]1CCCc2c[nH]nc21)N1CCN(c2ccc(F)cn2)CC1 329388667 QRPHSOBGTSRISS-CQSZACIVSA-N 344.394 2.057 30 50 EEEA Cc1n[nH]c(C)c1CCCNC(=O)c1ccc(C#CC(C)(C)O)o1 952980088 XPNGSRRPGLZRJW-UHFFFAOYSA-N 329.400 2.105 30 50 EEEA N#Cc1cccc(Cl)c1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 301980702 XTHOJDNKYJPBJD-OAHLLOKOSA-N 332.835 2.130 30 50 EEEA N#Cc1cc2c(nc1N1CCn3c(nnc3C(F)(F)F)C1)CCCC2 270996198 VITDZGRHDDHJIU-UHFFFAOYSA-N 348.332 2.463 30 50 EEEA COc1ccc(OCCCN2CCCn3nc(C#N)cc3C2)cc1 1506406989 SVVIOOFBXDXMNN-UHFFFAOYSA-N 326.400 2.438 30 50 EEEA CC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)ccc1O 291408 QOAPTLVPELBKDD-LBPRGKRZSA-N 325.162 2.372 30 50 EEEA O=C(c1ccccc1)N1CCN(Cc2ccc(C#CCO)s2)CC1 55211921 VZUTXBBHUKALFW-UHFFFAOYSA-N 340.448 2.050 30 50 EEEA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(C#N)cn2)CC1 328648904 UUHLMVSLUZZUEB-GOSISDBHSA-N 349.438 2.475 30 50 EEEA N#Cc1ccnc(-c2cccc(C(=O)NCCCN3CCCC3=O)c2)c1 426380765 YZSBQXVVTWLBDU-UHFFFAOYSA-N 348.406 2.363 30 50 EEEA COC(=O)c1cc(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)ccc1C 194816911 DUNCKNZHJRHYTB-MRXNPFEDSA-N 336.413 2.094 30 50 EEEA N#Cc1cnc(N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cn1 129167749 OVTYTRIBYVRPTO-ZDUSSCGKSA-N 331.738 2.358 30 50 EEEA C#CCCC1(CCNC(=O)Cc2cncc(Br)c2)N=N1 2325891731 YYAHEZOQTKVUJT-UHFFFAOYSA-N 335.205 2.468 30 50 EEEA COC(=O)[C@H]1C(=O)/C(=C/Nc2ccccc2OC)C(=O)CC1(C)C 100318933 KIWNOSNYBRBEMS-AUECHBEKSA-N 331.368 2.348 30 50 EEEA C=CCN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 67948039 XFKXEYHUKZPZAR-HNNXBMFYSA-N 346.452 2.302 30 50 EEEA Cc1nc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)ccc1C#N 348259707 ADVVSMSYZWGVRL-WBVHZDCISA-N 325.343 2.349 30 50 EEEA N#Cc1cc(N2CCCC[C@H]2CC(N)=O)nc2ccc([N+](=O)[O-])cc12 170604239 QVZGYQFGZWWKQH-LBPRGKRZSA-N 339.355 2.249 30 50 EEEA CN1CCO[C@H]([C@@H](Nc2cnc(C#N)cn2)c2ccc(Cl)cc2)C1 253418314 IDSHYOSKGHINLZ-RDJZCZTQSA-N 343.818 2.485 30 50 EEEA CC[C@H](CC#N)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1 888099541 PKTVJSVDWNIPRG-CYBMUJFWSA-N 339.395 2.404 30 50 EEEA CCn1cnnc1[C@H]1CN(CCCOc2cccc(C#N)c2)CCO1 328652696 WPSXLDPLTBGEMB-QGZVFWFLSA-N 341.415 2.012 30 50 EEEA N#C[C@@H]1CSCCN1C(=O)Cc1cccc(Br)c1 342075767 NPCHACAIBATSHD-GFCCVEGCSA-N 325.231 2.459 30 50 EEEA C=C1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@H]2[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 257551480 UCDVIBNDYLUWFP-OTSDIUNVSA-N 332.440 2.275 30 50 EEEA biogenic C[C@H](NC(=O)COc1ccc(C#N)nn1)c1ccc2c(c1)CCCC2 1775998743 HSILCORBSBXCQM-ZDUSSCGKSA-N 336.395 2.483 30 50 EEEA CS(=O)(=O)O[C@@H]1CCOC2(CCN(Cc3ccccc3)CC2)C1 66323533 NDPXFTKKMLHXBB-MRXNPFEDSA-N 339.457 2.176 30 50 EEEA CS(=O)(=O)NC[C@@H]1CCC[C@@H]1/N=C(/O)c1cc(O)ccc1Cl 330607336 LNJCCWAPSMAGGL-ZANVPECISA-N 346.836 2.068 30 50 EEEA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(Cc1ccccc1C#N)CC2 426711515 WHBYWNLDFLHOTF-CEXWTWQISA-N 330.428 2.079 30 50 EEEA N#Cc1ccc(OC2CN(c3ncc(Br)cn3)C2)cc1 162496943 YMXQMRZJLWPJRZ-UHFFFAOYSA-N 331.173 2.378 30 50 EEEA C=CCC[C@@H](CO)NC(=O)CCCc1nc(O)c2ccccc2n1 408520662 QZPFBFZQQXRCRP-ZDUSSCGKSA-N 329.400 2.101 30 50 EEEA Cc1nc([C@@H]2CN(C(=O)c3cc(C#N)ccc3Cl)CCO2)no1 367680141 IFGADLMEJKCCDO-ZDUSSCGKSA-N 332.747 2.117 30 50 EEEA C=C(C)Cn1c(=O)c2c(nc3n([C@H](C)CC)c(C)c(C)n23)n(C)c1=O 10104233 JHZRINUAMUHOOJ-LLVKDONJSA-N 343.431 2.313 30 50 EEEA Cc1cnn([C@@H]2CCN(/C(O)=N/C[C@@H]3CCCCN3C3CC3)C2)c1 329536951 BHSXXJNFUJOMOC-DLBZAZTESA-N 331.464 2.369 30 50 EEEA Cc1ccc(C#N)c(N[C@@H]2CCN(C(=O)COc3ccccc3)C2)n1 253398237 QRGCXAKCOCSGHU-MRXNPFEDSA-N 336.395 2.354 30 50 EEEA Cc1nn(C)cc1/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1 328639851 PRVJNKOZLHAFHS-RYUDHWBXSA-N 337.424 2.102 30 50 EEEA N#Cc1ccc2nc(N[C@H]3CCN(C(=O)c4ccncc4)C3)ccc2c1 362357136 ILFHQAZMNUXOOK-KRWDZBQOSA-N 343.390 2.828 30 50 EEEA CN(C)c1ncccc1O[C@H]1CCN(C(=O)C2(C#N)CCCC2)C1 275572192 IXVRGPASNKOOCT-AWEZNQCLSA-N 328.416 2.211 30 50 EEEA CC1(C)OB(c2cccc(OCC(=O)NC3CCCC3)c2)OC1(C)C 1772715647 DCTJRTYZSZRXAZ-UHFFFAOYSA-N 345.248 2.423 30 50 EEEA C#CCCC1(CCC(=O)N(C)CCn2c(=O)oc3ccccc32)N=N1 2325886070 JCZTUMHKMFGDET-UHFFFAOYSA-N 340.383 2.409 30 50 EEEA C#CCCC1(CCNC(=O)Cc2nnc(-c3ccccc3)n2C)N=N1 2325891491 KIICROROFDABSX-UHFFFAOYSA-N 336.399 2.106 30 50 EEEA CC(=O)c1nn(-c2ccc(Br)cc2)c(=O)c(C#N)c1C 3125004 PDGGGPAIGFQPLO-UHFFFAOYSA-N 332.157 2.378 30 50 EEEA C=CCOc1c(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cccc1OC 4810867 QHGMJAWNONNEEV-BQYQJAHWSA-N 345.311 2.128 30 50 EEEA O=S(=O)(/N=C(/c1ccc(F)cc1)N1CCOCC1)c1ccccc1 100542365 HNHAIPQQRGXPLX-ZPHPHTNESA-N 348.399 2.293 30 50 EEEA Cc1c(C#N)c2ccccc2n1CC(=O)NCc1n[nH]c2c1CCC2 67965940 SHKWIUGBEMASIO-UHFFFAOYSA-N 333.395 2.350 30 50 EEEA CNC(=O)[C@@H]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 333677245 OFRBOTMQHJIXNU-CYBMUJFWSA-N 337.427 2.056 30 50 EEEA COc1ccc(CN2CCn3nc(C#N)cc3C2)cc1Cn1cccn1 824722856 TZHXZNHBLKQNJU-UHFFFAOYSA-N 348.410 2.024 30 50 EEEA COc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)c(OC)c1 4176441 VBOBECHWRQBFOK-OMCISZLKSA-N 332.307 2.485 30 50 EEEA COc1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 381126 ZZYZZVGEHAGCKI-HOCLYGCPSA-N 331.368 2.159 30 50 EEEA C[C@H](/N=C(/O)N1CCOC[C@@H]1[C@@H]1CCCO1)[C@@H]1COc2ccccc21 329256157 DNRSNKZGHBOWQI-SCNOPHJPSA-N 346.427 2.345 30 50 EEEA Cc1noc(C2CC2)c1N=C(O)N1CCN(C)[C@H](c2nccn2C)C1 330341887 ZWAVYATZWPBSRF-ZDUSSCGKSA-N 344.419 2.128 30 50 EEEA C=CCN1CC[C@]2(CCC1=O)CN(CCCCCF)CCN2C 216647665 HDZDGQXKHRHYCZ-GOSISDBHSA-N 325.472 2.311 30 50 EEEA C=CCN(CC1CCCCC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 170626004 SMNKNQIYRCMRBH-HUUCEWRRSA-N 330.494 2.409 30 50 EEEA C=CCNC1CCN(c2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)CC1 11787404 LRHFKJULWFDPKV-LJQANCHMSA-N 343.471 2.028 30 50 EEEA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cc(C#N)[nH]c2C)cn1 888095483 ZDCLSJSVWKRRSK-JKSUJKDBSA-N 327.388 2.141 30 50 EEEA C#CCCCCCC(=O)N(C)C[C@H](O)CN(C)C(=O)C(CC)CC 1775988915 QTOLSVHQWRPMMI-KRWDZBQOSA-N 338.492 2.284 30 50 EEEA CCCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)O 170005397 FFTLTJGWEQYONW-UHFFFAOYSA-N 333.193 2.423 30 50 EEEA OC[C@]1(F)CCN(/C(O)=N/[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)C1 328691867 IZQSHADRQIEKFV-VYDXJSESSA-N 340.370 2.366 30 50 EEEA Cc1nc(O)c(C#N)cc1C(=O)N(C)Cc1cc(-c2ccncc2)no1 77375275 UVVONTCGZBPXGF-UHFFFAOYSA-N 349.350 2.290 30 50 EEEA COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1/C(O)=N/C[C@H](C)O 328606504 RVKMHLSDASRIHN-DCGLDWPTSA-N 345.399 2.296 30 50 EEEA CC(C)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCS1 152097436 MTVVMOMGEAJYPT-CYBMUJFWSA-N 328.434 2.459 30 50 EEEA CN(C)[C@H](CN/C=C1\C(=O)Oc2ccccc2C1=O)c1ccco1 828327187 HIEYNFCLUPNMQC-QLKUMGTLSA-N 326.352 2.158 30 50 EEEA C[C@H](Oc1cccc(C#N)c1)C(=O)NCc1ccnc(-n2cccn2)c1 170593579 CDABNRXMTIJFNN-AWEZNQCLSA-N 347.378 2.223 30 50 EEEA CN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 756361060 VKPFFFDCIPBDPC-UHFFFAOYSA-N 345.380 2.123 30 50 EEEA COc1cc(OC)c(C(=O)O/N=C(\N)c2ccc(C)cc2)cc1OC 4270857 WKZLOBWJCQENOT-UHFFFAOYSA-N 344.367 2.498 30 50 EEEA N#Cc1ccc(-c2c[n+]([O-])c(N)c(C(=O)OCc3ccccc3)n2)cc1 331519 OXBGXPZLLHTGQI-UHFFFAOYSA-N 346.346 2.193 30 50 EEEA CN1CCO[C@H]([C@H](/N=C(/O)c2cncn2C)c2ccc(Cl)cc2)C1 329669088 MDNXQUVJVBOGTO-JKSUJKDBSA-N 348.834 2.450 30 50 EEEA N#Cc1cc(Br)cnc1N1CCC[C@H]1c1ccc(N)nn1 886085416 GRKIMFUOWHNLCG-LBPRGKRZSA-N 345.204 2.429 30 50 EEEA COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 203806 CASIIJPPNUDTTI-CYBMUJFWSA-N 344.323 2.059 30 50 EEEA COC(=O)C[C@H]1Oc2ccccc2N(Cc2cccc(C#N)c2)C1=O 55360902 HJUIJJHHRYSODK-QGZVFWFLSA-N 336.347 2.416 30 50 EEEA C=CCOc1ccc(C(=O)N2CCC(=O)NC[C@@H]2C)cc1OCC 55402646 OHXBHTROFYUPCD-ZDUSSCGKSA-N 332.400 2.001 30 50 EEEA O=S1(=O)CC[C@]2(C[C@@H](/N=C(/O)c3cccc4cc[nH]c34)CCO2)C1 329212188 HQIXHCBUAIANRM-GUYCJALGSA-N 348.424 2.209 30 50 EEEA Cn1cccc1CCC(=O)NC1CCN(c2ncccc2C#N)CC1 534575262 YMTCFOIPGROKKU-UHFFFAOYSA-N 337.427 2.010 30 50 EEEA COc1cccc(C(=O)O/N=C(\N)Cc2ccc(OC)c(OC)c2)c1 4184103 BABGVHIROFXIJZ-UHFFFAOYSA-N 344.367 2.384 30 50 EEEA C#CCCC1(CCC(=O)N2CCCN(CC(F)(F)F)CC2)N=N1 952879943 CJWBDPWNXXZOHQ-UHFFFAOYSA-N 330.354 2.439 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)N=N1 2325891489 KICTVOONMOENKJ-MRXNPFEDSA-N 338.411 2.117 30 50 EEEA C#CCCC1(CCC(=O)N(CCN(C)C)Cc2ccccn2)N=N1 2325892495 PAFHLPZTWJNJJU-UHFFFAOYSA-N 327.432 2.328 30 50 EEEA C#CCCC1(CCC(=O)N(C)CC(C)(C)CN2CCOCC2)N=N1 2325892725 ZADUTLVWRMUVCJ-UHFFFAOYSA-N 334.464 2.159 30 50 EEEA N#CC1(CS(=O)(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)CC1 329236253 OEKBNBZEZPDGCO-HOTGVXAUSA-N 330.453 2.403 30 50 EEEA CCOc1ccc(/C(O)=N/[C@@H]2CCO[C@@H](c3cncn3C)C2)cn1 328626353 LPMRNTDPONYUGS-UKRRQHHQSA-N 330.388 2.439 30 50 EEEA N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCCc3[nH]cnc32)CC1 253420992 OEXMBJSCORZMLF-INIZCTEOSA-N 349.438 2.440 30 50 EEEA C=CC[C@@]1(CO)CCCN(S(=O)(=O)Cc2ccccc2F)C1 91896193 GOJYAGZWTFRHBE-MRXNPFEDSA-N 327.421 2.306 30 50 EEEA N#C[C@@H](C(=O)c1cccc(-n2ccnn2)c1)c1nnc2n1CCCCC2 165672370 FZSBHDPXVXDWJU-HNNXBMFYSA-N 347.382 2.075 30 50 EEEA Cn1ccnc1[C@H](O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 167211763 BVJQHJMDSGDSAT-BLLLJJGKSA-N 341.371 2.150 30 50 EEEA N#C[C@@H](NC(=O)Cc1ccc(I)cc1)C1CC1 191468029 ASFSMLDJTOTMNH-GFCCVEGCSA-N 340.164 2.252 30 50 EEEA N#Cc1cn(Cc2nc3ccsc3c(=O)[nH]2)c2ccccc2c1=O 193487992 FJBFHHZEWKZUAJ-UHFFFAOYSA-N 334.360 2.219 30 50 EEEA CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccccc3)NC[C@@H]2C1 133854363 OFJUOFYPAHWBPU-OAHLLOKOSA-N 330.432 2.067 30 50 EEEA CCOc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)ccc1O 100175811 NZZIINGTBIMOCT-GLKLPLOUSA-N 340.379 2.322 30 50 EEEA CN(C)c1cnc(/C(O)=N/C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cn1 331281062 KVVCMEFEZRQFJM-HZMBPMFUSA-N 346.353 2.331 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCc4ccccc43)CC2)nc1 215472133 CEIOTHAJBXAVKI-GOSISDBHSA-N 332.407 2.332 30 50 EEEA O=[S@@+]1(O)CC[C@@H](NC(=S)SCCOc2ccccc2)C1 334158412 MPSBVFWPSHWCKM-LLVKDONJSA-P 332.492 2.418 30 50 EEEA CNC(=O)C[C@@H](C)N(C)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 426534489 RFVGMZLYEWCJQQ-CYBMUJFWSA-N 336.395 2.217 30 50 EEEA C=CCN[C@H]1CCc2c(c(C(=O)NC)nn2CC2CCCCC2)C1 14745129 NGMVLRMQSLBUPS-HNNXBMFYSA-N 330.476 2.456 30 50 EEEA C[C@@H](NC(=O)[C@@H]1COCCN1C1CCCC1)c1cccc(C#N)c1 253425378 IVWVCKUIYLQSED-KDOFPFPSSA-N 327.428 2.379 30 50 EEEA N#Cc1ccncc1C(=O)N1C[C@H](c2n[nH]c(C3CC3)n2)[C@@H](C2CC2)C1 952848665 QSMRZPXGLWKGCF-CVEARBPZSA-N 348.410 2.215 30 50 EEEA Cc1ccc(CC(=O)NS(=O)(=O)c2cc(F)cc(C#N)c2)cc1 1875350393 KWVNOZGLHGLOHI-UHFFFAOYSA-N 332.356 2.053 30 50 EEEA C=CCn1ncc(CN2CCN(c3noc(C(C)C)n3)CC2)c1C 67975762 BOPVSKTXZNCQHA-UHFFFAOYSA-N 330.436 2.206 30 50 EEEA Cn1cncc1[C@H]1[C@H](/N=C(/O)c2cscn2)CCC(=O)N1C1CC1 329022514 MNLPKGVRIKBNJA-IAQYHMDHSA-N 345.428 2.076 30 50 EEEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)[C@@H]1CCCOC1 328653036 WSGFAVJKPDOOCK-AGIUHOORSA-N 327.425 2.439 30 50 EEEA COc1ccc([C@H](C)CC/N=C(/O)N2CCN3CCOC[C@H]3C2)cc1 329815044 DYXMNHWYCOHIPL-NVXWUHKLSA-N 347.459 2.119 30 50 EEEA CC(C)n1cc([C@@]2(O)CCCN(c3cccc(F)c3C#N)C2)nn1 284445420 GAUCOBBVLMKZPO-QGZVFWFLSA-N 329.379 2.358 30 50 EEEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@@H]31 245310712 KCZFLFYOLLDLKV-MJJSQNCMSA-N 343.364 2.043 30 50 EEEA N#Cc1cc2n(n1)CCCN(Cc1cnn(-c3ccccc3F)c1)C2 826805761 WZNLFGGFIYYCOX-UHFFFAOYSA-N 336.374 2.485 30 50 EEEA CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCc2ccc(C#N)cc21 408473980 WLVKRIRMGQEKFY-NVXWUHKLSA-N 336.395 2.442 30 50 EEEA C#CCN(C)C/C=C/C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 1875387629 QDLWZTLHINOHTG-GQCTYLIASA-N 347.409 2.125 30 50 EEEA CN(c1cnc(C#N)cn1)[C@H]1CCN(c2ccccc2Cl)C1=O 124364331 BCJPRMLLOIIVAD-AWEZNQCLSA-N 327.775 2.243 30 50 EEEA N#CC1(NC(=O)CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)CCCCC1 281579766 DTYNYXDRKMAGQI-IAGOWNOFSA-N 345.418 2.276 30 50 EEEA CCCN1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 670466656 MAQSNLAULGJCGY-CYBMUJFWSA-N 341.864 2.364 30 50 EEEA Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)N(C)C)CC1(C)C 408125500 ALUWEFKORSHWAE-UHFFFAOYSA-N 328.416 2.085 30 50 EEEA CNC(=O)c1ccn([C@@H]2CCCN(c3cccc(F)c3C#N)C2)n1 275653739 OKOVRGOCFIKRTG-GFCCVEGCSA-N 327.363 2.095 30 50 EEEA Cc1c([C@H](C)N2C(=O)N[C@H](C3CC3)C2=O)cnn1-c1ccc(C#N)cc1 170614002 BIKVMMKPSRCCCG-APPDUMDISA-N 349.394 2.444 30 50 EEEA Cc1c[nH]ccc1=NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 332554163 RPJWWQCRCOPUQZ-UHFFFAOYSA-N 335.411 2.033 30 50 EEEA C#CCCC1(CCC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)N=N1 952882924 ZFZWAMLIFYNQBT-OAHLLOKOSA-N 333.432 2.386 30 50 EEEA C=C(C)COc1ccccc1C(=O)N(C)C[C@@H](C)N1CCOCC1 55054403 LMELDZHWTFNCOI-MRXNPFEDSA-N 332.444 2.434 30 50 EEEA COC(=O)[C@H]1C(=O)/C(=C(\C)Nc2ccccc2O)C(=O)CC1(C)C 100281825 SMRHUUSBENNFAB-YVGNARHYSA-N 331.368 2.435 30 50 EEEA Cc1ncc2c(c1C#N)CCN(C(=O)CCc1[nH]nc3c1CCCC3)C2 67788996 BQWYGPSTDRKDRV-UHFFFAOYSA-N 349.438 2.381 30 50 EEEA CN1CC[C@@H](CN/C(O)=N/CCn2cccc2)[C@@H]1c1cccnc1 328644967 ZNSCSWYKHKQBFA-IRXDYDNUSA-N 327.432 2.080 30 50 EEEA CN1C[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2C1=O 373202768 JEKQEBOGHCXEBX-GOSISDBHSA-N 333.391 2.386 30 50 EEEA CCOc1ccc(NC(=O)N2CCN(CCSC)CC2)cc1C#N 299794291 ISRXPDVSRZQWNW-UHFFFAOYSA-N 348.472 2.469 30 50 EEEA CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C#N)ccc1O 748674359 QXIREQODYFDQHL-UHFFFAOYSA-N 346.364 2.325 30 50 EEEA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(C#N)oc2C)C1 330549011 BHEZZLRCQUTYFL-MFKMUULPSA-N 343.305 2.131 30 50 EEEA N#Cc1cnc(N2CCC(n3cc(Br)cn3)CC2)cn1 253429322 REXIPMJOJHGCQS-UHFFFAOYSA-N 333.193 2.149 30 50 EEEA Cn1ncc2c(N[C@H]3CCCN(c4ccccc4C#N)C3)ncnc21 364875889 COVGYLMBXJIMAK-AWEZNQCLSA-N 333.399 2.316 30 50 EEEA CN(CC(=O)N1C[C@H](CO)c2ccccc21)Cc1cccc(C#N)c1 2325728450 ZEHPFGJSZRSTFF-QGZVFWFLSA-N 335.407 2.113 30 50 EEEA C#CCCC1(CCC(=O)NCc2n[nH]c(Cc3ccccc3)n2)N=N1 2325891806 ZMLUXFWFJAWACN-UHFFFAOYSA-N 336.399 2.367 30 50 EEEA CC[C@@H](CC#N)NC(=O)c1cccc(C(=O)N[C@H](CC)CC#N)c1O 242191362 XEYUTOOSRQCAFR-BETUJISGSA-N 342.399 2.236 30 50 EEEA C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 183502133 XUUUDLJXQUEWGE-GFCCVEGCSA-N 341.864 2.222 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2CC[C@H]3NC(=O)C(C)(C)[C@H]3C2)N=N1 1875380996 GVRXRFOPQIHXKQ-HZSPNIEDSA-N 330.432 2.009 30 50 EEEA Cn1cc([C@@H]2OCCC[C@H]2c2nnc(-c3cc(C#N)cn3C)o2)cn1 886095521 YYNKXLUJHNACKN-HIFRSBDPSA-N 338.371 2.316 30 50 EEEA Cn1ccnc1[C@@H]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 369860019 BAYYDZMQWMQKCS-OAHLLOKOSA-N 346.394 2.107 30 50 EEEA N#Cc1ccc(Cl)cc1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 284831078 VTSRAQTVVUALNA-GOEBONIOSA-N 333.819 2.318 30 50 EEEA C=CCc1cc(CN2CCO[C@@H](C(=O)O)C2)cc(OCC)c1OC 534674506 YRCIDVVIDWUTMM-MRXNPFEDSA-N 335.400 2.108 30 50 EEEA C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 79523 ULUBOWWPZXFXIV-UHFFFAOYSA-N 342.424 2.140 30 50 EEEA CCOC(=O)c1cc[n+](CC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4831581 ZXVWYWGUIVHLHJ-UHFFFAOYSA-N 329.332 2.250 30 50 EEEA CC[C@@]1(C)COCCN1S(=O)(=O)c1ccc(Cl)cc1C#N 356130047 ASPGKSSXAHNCEE-AWEZNQCLSA-N 328.821 2.401 30 50 EEEA CC#CC(=O)N[C@@H](CC(=O)OC)c1ccc(OC(F)(F)F)cc1 252501513 UGTCDXWVRKEAMS-LBPRGKRZSA-N 329.274 2.329 30 50 EEEA CC(=O)N1CCN(/C(O)=N/[C@H]2CC[C@H](O)CC2)CC12CCCCC2 329069254 YBHBGKCVOIBQCK-WKILWMFISA-N 337.464 2.071 30 50 EEEA Cc1ccc(C#N)c(N2CCCN(C(=O)CCc3ccncc3)CC2)n1 1057255964 BJDRIOHWSHVBJA-UHFFFAOYSA-N 349.438 2.328 30 50 EEEA CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 275567006 FDRVODTXJKWODV-QGZVFWFLSA-N 343.475 2.198 30 50 EEEA Cn1cc(C#N)c(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)n1 194623466 INDZKNOJEPQUNF-UHFFFAOYSA-N 328.756 2.026 30 50 EEEA Oc1c(Br)cc(/C=N/n2cnnc2)cc1Br 293088 KFYLBAXURAUHDE-LZWSPWQCSA-N 345.982 2.391 30 50 EEEA CCCCNC(=O)C[C@H]1S/C(=N/N=C(\C)c2ccccc2)NC1=O 5503699 MWEXHRISBBZZRP-MQMKENTISA-N 346.456 2.305 30 50 EEEA N#Cc1ccccc1OCC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225681044 CYNIEQLXJUVOCH-DLBZAZTESA-N 340.354 2.411 30 50 EEEA COc1cc(C#N)ccc1OCCN1C(=O)CCN(C(C)C)C1=O 1775992404 RXXCMYASECAPHQ-UHFFFAOYSA-N 331.372 2.008 30 50 EEEA CCOC(=O)c1ccc(NC(=O)C[n+]2cc3ccccc3cn2)cc1 2519848 GYCSEKPSIWZWSL-UHFFFAOYSA-O 336.371 2.338 30 50 EEEA COC(=O)[C@@H]1CSCCN(C/C(O)=N/Cc2cccc(C)c2)C1 328598498 MHRSEDZABJSXHI-HNNXBMFYSA-N 336.457 2.290 30 50 EEEA Cn1cc(CN2CCC[C@H](c3nc[nH]n3)C2)c(-c2ccc(C#N)cc2)n1 378501769 WTTQIPSZLPKLAY-INIZCTEOSA-N 347.426 2.456 30 50 EEEA O=C(O)c1cc(-c2ccc(/C=N/Nc3nnn[nH]3)o2)ccc1Cl 5016152 ZROATMLDGZFLOL-GIDUJCDVSA-N 332.707 2.257 30 50 EEEA CC#CC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 12054243 IOARRXQMFDMCSI-OAHLLOKOSA-N 330.403 2.484 30 50 EEEA COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=C[C@]14O[C@H]4CN3CCC2 104740307 JCKPCZAYDZJZIL-ZVEHZALQSA-N 343.423 2.273 30 50 EEEA biogenic Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cnc3ccccn23)cn1 328633637 SRKRONYSZUVPOQ-XJKSGUPXSA-N 325.372 2.293 30 50 EEEA C=CCCCS(=O)(=O)N1CC(C)(c2nnc(-c3ccccn3)o2)C1 952894695 ORFUOOIUFKLGEU-UHFFFAOYSA-N 348.428 2.001 30 50 EEEA C=CCC1(CC=C)CCCCN1C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 55358430 BTSBUWPAVKYXKW-AWEZNQCLSA-N 333.432 2.172 30 50 EEEA Cc1ccc(S(=O)(=O)C[C@@H](O)COc2ccc(C#N)cc2)cc1 1399250 TWZLAZDMSDVYLJ-HNNXBMFYSA-N 331.393 2.080 30 50 EEEA COC[C@H]1CN(c2ccc(C3OCCO3)c(Cl)c2C#N)CCO1 253425102 AXIFZSLPBUCXGA-LLVKDONJSA-N 338.791 2.109 30 50 EEEA CC1(C)C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCO1 97360155 SXVWTJUXDLPZGZ-INIZCTEOSA-N 327.428 2.412 30 50 EEEA CC(C)(O)C#Cc1ccc(CN2CCN(C(=O)C3CCC3)CC2)cc1 670455890 MQIBPRKAYOSSLS-UHFFFAOYSA-N 340.467 2.253 30 50 EEEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(C#N)[nH]c2C)C3)n1 685943604 ZCYYJKSSVUAOLZ-SJCJKPOMSA-N 325.372 2.080 30 50 EEEA CC#CC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 12054240 IOARRXQMFDMCSI-HNNXBMFYSA-N 330.403 2.484 30 50 EEEA C#CCCC1(CCC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)N=N1 952882317 UFFYEDTZEWBYNJ-HNNXBMFYSA-N 340.431 2.260 30 50 EEEA CC(=O)N1C[C@H](NC(=O)c2cc(C#N)oc2C)CC[C@@H]1C(F)(F)F 886088686 KRCYXFHJYVGJEH-ZWNOBZJWSA-N 343.305 2.131 30 50 EEEA O=C(NCC#Cc1cccc(F)c1)c1ccc(-n2cncn2)c(F)c1 225769178 LJNWIHRPGXGELP-UHFFFAOYSA-N 338.317 2.327 30 50 EEEA C=CCn1c(SCc2noc(CC)n2)nnc1C1CCNCC1 426383343 SMFMIHJSOBQGPS-UHFFFAOYSA-N 334.449 2.169 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)N=N1 952882832 XTVNHFXOSWRITB-UONOGXRCSA-N 329.404 2.112 30 50 EEEA C#CCCC1(CCC(=O)Nc2cn(CC(F)F)nc2OC)N=N1 1875382195 UGRITOANPRYBJF-UHFFFAOYSA-N 325.319 2.451 30 50 EEEA C#Cc1ccc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)cc1 20781700 BHLIWGMRMOADDY-QFIPXVFZSA-N 349.478 2.440 30 50 EEEA CCC(CC)n1ncc(/C(O)=N/C[C@@H](CO)Cc2cnn(C)c2)c1C 328593549 IDFZNGARMSISSS-HNNXBMFYSA-N 347.463 2.442 30 50 EEEA O/C(=N/C1CC1)[C@@H](O)C1CCN(Cc2cnc(Cl)s2)CC1 328633547 MDSZSGRVSYTUHH-LBPRGKRZSA-N 329.853 2.488 30 50 EEEA N#Cc1ccc(CN2CCn3nc(CNc4cnccn4)cc3C2)cc1 299767872 WXBZMKMFCZBMLG-UHFFFAOYSA-N 345.410 2.173 30 50 EEEA N#CCCN(CC(F)(F)F)S(=O)(=O)c1csc([N+](=O)[O-])c1 170612144 VFWLQDYFQLERKW-UHFFFAOYSA-N 343.308 2.123 30 50 EEEA O=C(O)C[C@@H]1S/C(=N/N=C/c2cccc(Cl)c2Cl)NC1=O 1171783 LMFYAHFCNVJFQC-PDMWYYABSA-N 346.195 2.390 30 50 EEEA C=CCn1cc(CN2CCCN(C(=O)c3cscn3)CC2)c(C)n1 1775982969 QDBSSRUNXGMHCN-UHFFFAOYSA-N 345.472 2.182 30 50 EEEA CC#CC(=O)N1CCC(Cc2ccc(OC)cc2)(C(=O)OCC)CC1 12835264 MLIJWKBLYJMKRO-UHFFFAOYSA-N 343.423 2.433 30 50 EEEA C=C[C@@H]1OCC[C@H]1CNC(=O)c1nc(C)ccc1Br 823207403 VDQYYSYPOYILLC-JQWIXIFHSA-N 325.206 2.473 30 50 EEEA N#Cc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 7708417 SXXBIXPFSPUFAR-UHFFFAOYSA-N 341.392 2.486 30 50 EEEA C#Cc1cccc(N(C)C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c1 110290396 JTCJSZBIBKOHOY-UHFFFAOYSA-N 344.374 2.229 30 50 EEEA N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@@H]3CCCc4[nH]ncc43)n2)c1 253417022 ZJEWDCOQHLVSIO-CQSZACIVSA-N 346.394 2.408 30 50 EEEA COc1ccc(OC)c2c1CN(C(=O)C#Cc1ccccc1)C[C@@H]2O 121634592 LOMCDWPPJVYWLB-INIZCTEOSA-N 337.375 2.131 30 50 EEEA C[C@H]1CCc2nc(N)c(C#N)c(-c3cccc(OCC(N)=O)c3)c2C1 71416282 MHTROKZSNAOLJN-NSHDSACASA-N 336.395 2.191 30 50 EEEA CCC#CCN1CCC[C@]2(CO)CN(Cc3cccc(O)c3)CC[C@@H]12 72154874 KBSKHOGYGAAFEI-NHCUHLMSSA-N 342.483 2.454 30 50 EEEA C=CCN1C[C@@H](NC(=O)c2cc(C(C)C)oc2C)C[C@H]1C(=O)NCC 96148835 CZRVEQMQSJXSLM-HOCLYGCPSA-N 347.459 2.206 30 50 EEEA C=CCc1ccc(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c(OC)c1 15659184 KDUGLTZTMQVDGV-YQQAZPJKSA-N 335.444 2.273 30 50 EEEA COc1cc(N=C(O)N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)ccn1 329250701 UMZBVPUYGSESIS-DZKIICNBSA-N 330.432 2.442 30 50 EEEA N#CC1(c2ccccc2)CC(NC[C@@H](C(=O)O)C2CCOCC2)C1 888099579 BHSWQEJADCXQBX-TVRKMHQQSA-N 328.412 2.327 30 50 EEEA CC(C)(C/N=C(/O)N[C@@H]1CCO[C@@]2(CCOC2)C1)N1CCCCC1 328586923 RJQFMYJSQXKHQE-QAPCUYQASA-N 339.480 2.093 30 50 EEEA N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c1 175780487 MRRJHLJCVMLRLA-ZDUSSCGKSA-N 342.786 2.465 30 50 EEEA C=CCc1cc(C(=O)N2C[C@H](CO)C[C@H](CN(C)C)C2)ccc1OC 91754999 LJBLRJPNENNDHZ-HZPDHXFCSA-N 346.471 2.056 30 50 EEEA N#Cc1cccnc1NCc1cccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1 1466035978 ZVNMALLIEKRQKA-MAUKXSAKSA-N 348.406 2.232 30 50 EEEA COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1C[C@H]1CCCO1 381130 BWYNYTLNIVQSCS-MLGOLLRUSA-N 331.368 2.159 30 50 EEEA N#Cc1cc(N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] 221852607 COBIKMRBZDDCGS-LRDDRELGSA-N 340.383 2.446 30 50 EEEA COC[C@@H](N/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 328640588 XNHOKXHSDJHUIS-BBWFWOEESA-N 332.448 2.003 30 50 EEEA CCCn1cc(N=C(O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)cn1 328623499 JFXHXMKPLOXEEO-CYBMUJFWSA-N 348.407 2.419 30 50 EEEA C[C@@H](CC#N)NC(=O)c1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 408522328 HSCHYKNDZGRFQT-JTQLQIEISA-N 336.392 2.466 30 50 EEEA N#CCC[C@@H](C#N)Cn1nnc(Cc2cccc(Br)c2)n1 193430490 ANMDBZYQPMCTBH-LBPRGKRZSA-N 345.204 2.470 30 50 EEEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@]1(O)CCSC1 328631283 QTOCMDFXOTVKQO-ZANVPECISA-N 349.378 2.289 30 50 EEEA N#CCc1ccc(C(=O)N2CCCC[C@@H]2CN2CCCC2=O)cc1 372286253 ZIZLLHQEMOPFPP-QGZVFWFLSA-N 325.412 2.370 30 50 EEEA CC1(C)[C@@H](O)C[C@H]1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 1875292329 DOLZOKCSUBNFQK-YJBOKZPZSA-N 341.455 2.440 30 50 EEEA C[C@@H](C(=O)N=c1ccn(-c2ccc(C#N)cc2F)[nH]1)[C@@H]1CCCO1 1875270753 NBFRROSYSOKKCK-ABAIWWIYSA-N 328.347 2.059 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2cnc3ccccc3n2)C1 328610983 JWMHCCTUSUYOPF-KRWDZBQOSA-N 338.371 2.403 30 50 EEEA CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1cccc(C#N)c1 252673377 RCMTUUNPBKAPME-QZTJIDSGSA-N 349.500 2.487 30 50 EEEA CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cccnc2C#N)C12CCCC2 328587608 CWGFWEUDPIXHOP-HOTGVXAUSA-N 349.456 2.312 30 50 EEEA N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1CN1CCOCC1 189066362 DXHSZKMNNUYJQA-CYBMUJFWSA-N 340.349 2.273 30 50 EEEA C[C@@H](O)c1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1 374 VQDAEOYLIBGCHE-LLVKDONJSA-N 326.418 2.265 30 50 EEEA world CC1(C)OB(c2cc(OCC(F)(F)F)ncc2C#N)OC1(C)C 1772572664 OGJLJBSKOKKTHH-UHFFFAOYSA-N 328.099 2.194 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225514456 GSDOVTMDGJEABN-JKSUJKDBSA-N 346.383 2.194 30 50 EEEA N#Cc1ccc(Br)nc1N1CCC(Cn2ccnn2)CC1 1261888525 SUGSQCJQIJLECF-UHFFFAOYSA-N 347.220 2.224 30 50 EEEA C=CCOc1ccc(C(=O)NCCc2nnc(N)s2)cc1OCC 55100114 RCSAPIQTEHXIEM-UHFFFAOYSA-N 348.428 2.056 30 50 EEEA CN(C)[C@H](CNS(=O)(=O)CC1(CC#N)CC1)c1cccc(F)c1 253432021 ZLALHMGYOCMYTA-OAHLLOKOSA-N 339.436 2.042 30 50 EEEA CN1CCN2CCN(Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2C1 225341112 JHWNJQLEYYEWJO-QGZVFWFLSA-N 336.439 2.250 30 50 EEEA Cc1ncc(CN2CCN(C(=O)C#Cc3ccccc3)CC2)s1 176274502 UEZBVCHMZCVDAY-UHFFFAOYSA-N 325.437 2.147 30 50 EEEA C#CC[C@H](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 408513798 HBUOIVKVMXMTSI-OAHLLOKOSA-N 342.420 2.470 30 50 EEEA N#CCN1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 110710623 FPXVWLDDQCVICA-QWHCGFSZSA-N 329.297 2.186 30 50 EEEA CC(=O)N1CCC(C/N=C(/O)Nc2cnn(CC(F)(F)F)c2)CC1 330879927 YEUAXGKYPILNSX-UHFFFAOYSA-N 347.341 2.030 30 50 EEEA C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(C(F)(F)F)n2)C1=O 390835581 RIOFLRJHCFFVQO-SNVBAGLBSA-N 342.321 2.351 30 50 EEEA C#CCO[C@H](C)C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 952891246 CMJIGUBCPSBURO-GFCCVEGCSA-N 343.358 2.014 30 50 EEEA N#Cc1cccc(CN2CC[C@@H](CNC(=O)c3ccc(C#N)nc3)C2)c1 67641666 UTOVIRLFOKLOSN-KRWDZBQOSA-N 345.406 2.077 30 50 EEEA Cc1cnn([C@H](C)[C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1 229569944 FIYYNKDNSREJMZ-ZMSDIMECSA-N 328.416 2.042 30 50 EEEA Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1C#N 369112301 KZEXYWKOKMTXRF-OAHLLOKOSA-N 335.411 2.424 30 50 EEEA Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(F)c3C#N)C2)nn1 372930582 UKSSQUVQLSBOBM-ZDUSSCGKSA-N 339.374 2.195 30 50 EEEA CC(C)n1cc([C@@]2(O)CCCN(Cc3ccc(F)c(C#N)c3)C2)nn1 284581716 JIIABFZPRZZOKX-GOSISDBHSA-N 343.406 2.353 30 50 EEEA CCOc1cccc(N2CCN(c3snc(C)c3C#N)CC2)n1 287442726 RFPSDCHSKSBKJF-UHFFFAOYSA-N 329.429 2.444 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)N=N1 2325892433 NGPAAPDNFATMLM-QGZVFWFLSA-N 346.475 2.446 30 50 EEEA CN1CCC[C@H](CCNC(=O)c2ccc(C#CC(C)(C)O)cc2)C1 67673415 OUUKTNROPMYXLQ-QGZVFWFLSA-N 328.456 2.271 30 50 EEEA CC1(C)OB(c2cc(C#N)cc(OC[C@H]3CCCO3)c2)OC1(C)C 170008695 DLDNWKLJZDFXCI-OAHLLOKOSA-N 329.205 2.415 30 50 EEEA C#CC[C@H](NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C(N)=O 170079547 MSIACFBAGMYEBX-SFHVURJKSA-N 327.472 2.420 30 50 EEEA Cc1ccc(CC(=O)N2CCN(C(=O)CC(C)(C)C#N)CC2)cc1 278782094 VFDUALVSHWMXTN-UHFFFAOYSA-N 327.428 2.148 30 50 EEEA COCCc1noc(CC2CCN(c3ncc(C#N)cc3F)CC2)n1 888100229 YQKNHLUYQQTSTQ-UHFFFAOYSA-N 345.378 2.123 30 50 EEEA C=CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 4833466 YQSIHHREZYUOKC-HNNXBMFYSA-N 332.356 2.061 30 50 EEEA CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](N2CCCCCC2)C1 229596130 LGMILPKKUHNLOC-IEBWSBKVSA-N 334.508 2.381 30 50 EEEA CN(C)c1ccnc(N=C(O)N2CCC[C@H]2C[C@H](O)c2ccco2)n1 328587587 CDTOSYWQPRBDCJ-STQMWFEESA-N 345.403 2.269 30 50 EEEA CCn1cc(CN2CCCN(c3nc4ccccn4c3C#N)CC2)cn1 253427657 XQKHKYNYZVVDFP-UHFFFAOYSA-N 349.442 2.135 30 50 EEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)CCc2ccncc2)C1 328630236 JESJCGMVWWJJIT-UHFFFAOYSA-N 331.416 2.298 30 50 EEEA CC1(C)OB(c2ccc(C3(N4CCOCC4)CC3)cc2)OC1(C)C 169810128 RSXLSRBFXJANTA-UHFFFAOYSA-N 329.249 2.307 30 50 EEEA in-vitro C/N=C(/NCc1nc(C2CC2)no1)N[C@@H](C)[C@@H]1COc2ccccc21 170596065 FOLKORQVHLOHCQ-FZMZJTMJSA-N 341.415 2.177 30 50 EEEA COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)CSCC#N)C1 170663705 DOAOEWVHTHTKOA-GFCCVEGCSA-N 339.848 2.300 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)c2cccc(OC)c2OC)cc1 5013797 HXLQYELHMVBDII-UHFFFAOYSA-N 330.340 2.190 30 50 EEEA C=CCN1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CCC1=O 12218516 VMTFPXUVFUNDDI-UHFFFAOYSA-N 340.345 2.495 30 50 EEEA CC(C)(C)OC(=O)NCc1cncc(B2OC(C)(C)C(C)(C)O2)c1 169743547 CEWJPZDUJDUMKZ-UHFFFAOYSA-N 334.225 2.406 30 50 EEEA COC[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CCO1 408516848 VLCMOHLMYHQGTI-JTQLQIEISA-N 329.169 2.311 30 50 EEEA Cc1csc([C@@H]2CN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CCO2)n1 225818902 DKCZKBFRINMYNU-ZDUSSCGKSA-N 345.384 2.392 30 50 EEEA CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/N2CCOCC2)C1=O 28616347 QFSPFAILXQCPAO-QBFSEMIESA-N 341.363 2.206 30 50 EEEA biogenic Cn1cc([C@@H](Nc2nc3c(cc2C#N)CCCC3)[C@H]2C[C@@H](O)C2)cn1 219309323 SYJIBEQPRSFZCX-OWQGQXMQSA-N 337.427 2.490 30 50 EEEA Cc1cc(C#N)nc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1 367339631 NYCPEAKISPPCKJ-QGZVFWFLSA-N 328.803 2.494 30 50 EEEA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 285562468 UQSTUTZHJPISIB-RDJZCZTQSA-N 336.395 2.235 30 50 EEEA CC(C)N1C(=O)N[C@@H]2CN(Cc3cn4ccccc4c3C#N)CC[C@@H]21 285911883 KJFFQMRBJWGNDF-AEFFLSMTSA-N 337.427 2.187 30 50 EEEA C=CCN1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2C)CC1 97179358 KIMVMEBRAIKNMZ-UHFFFAOYSA-N 330.432 2.032 30 50 EEEA Cc1ncc2c(c1C#N)CCN(C[C@@H]1CCC(=O)N(C(C)C)C1)C2 1775981367 RGZDRQLJINPTTE-HNNXBMFYSA-N 326.444 2.267 30 50 EEEA CCN1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1 197343492 CKEYOYMPVGYWCL-UHFFFAOYSA-N 330.281 2.123 30 50 EEEA CN1CCN(c2ccc(C#N)cc2F)C[C@H]1c1nc(C2CC2)no1 284421338 CYOTXFAKLXNSAI-HNNXBMFYSA-N 327.363 2.451 30 50 EEEA COC[C@@H](C)n1c(C)cc(C(=O)Cn2cnc(C#N)c2C#N)c1C 180419495 OKQLQBIIFHOIPK-GFCCVEGCSA-N 325.372 2.135 30 50 EEEA CCN(CCn1cccn1)C(=O)c1ccc(C#CC(C)(C)O)cc1 1191166993 HGZRLJFWCQGTKG-UHFFFAOYSA-N 325.412 2.168 30 50 EEEA CCCCCCCCn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C 2317953 RGHPSQSMPDDRSL-UHFFFAOYSA-N 347.463 2.384 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)N=N1 952879818 BFMDQFIWHKIOQX-HIFRSBDPSA-N 329.404 2.112 30 50 EEEA COCc1cc(CN=c2[nH]c3c(cc2C#N)c(C)nn3C)ccc1F 1875286471 VBXJADXHOHIMJJ-UHFFFAOYSA-N 339.374 2.468 30 50 EEEA C#CCO[C@@H]1CCCN(C(=O)CCc2cccc3c2OCCO3)C1 1875349788 MUYAGAJRFMQHAT-MRXNPFEDSA-N 329.396 2.031 30 50 EEEA N#Cc1nc(NC[C@H]2CC[C@@H](c3nc[nH]n3)O2)ccc1C(F)(F)F 1775961698 SXFNFDUACQCSPR-KCJUWKMLSA-N 338.293 2.422 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2OCCc3c(C(=O)O)cccc32)N=N1 2325900677 FPIJCGGDTURKGQ-OAHLLOKOSA-N 341.367 2.080 30 50 EEEA Cc1nnc([C@H]2Cc3ccccc3CN2S(=O)(=O)CCCC#N)o1 162246678 AWHWHTOERIVTMQ-OAHLLOKOSA-N 346.412 2.111 30 50 EEEA N=C1N/C(=N\c2ccc(Cl)cc2)N[C@@H](c2ccc3c(c2)OCO3)N1 96026523 CRBAHNXPHQQJDN-AWEZNQCLSA-N 343.774 2.472 30 50 EEEA CC#CCNC(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 190032315 LUMZXSYMMBSXFL-UHFFFAOYSA-N 330.779 2.338 30 50 EEEA C#CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)OCC)C1=O 1151060 KJRZPSURWCCTSJ-GXDHUFHOSA-N 345.376 2.298 30 50 EEEA C=CCn1c(SCC(=O)OC)nnc1-c1cccc(N(C)C)c1 17068415 BJAUSBREZDLMHB-UHFFFAOYSA-N 332.429 2.462 30 50 EEEA CC1(C)OB(c2ccc(S(=O)(=O)C(F)(F)F)cc2)OC1(C)C 203699130 SGJLAYCQVDMZOM-UHFFFAOYSA-N 336.140 2.279 30 50 EEEA COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O 331964781 QUFQFCWMWPUZDP-SCTDSRPQSA-N 330.428 2.319 30 50 EEEA CN1CCO[C@H]([C@@H](/N=C(/O)c2cncn2C)c2ccc(Cl)cc2)C1 329669087 MDNXQUVJVBOGTO-HOTGVXAUSA-N 348.834 2.450 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N[C@H](C(=O)O)c2ccccc2)s1 4697999 VOTRADRUCCEGQQ-HNNXBMFYSA-N 343.404 2.426 30 50 EEEA CN(Cc1cc(O)n2ncc(C#N)c2n1)Cc1cccc2[nH]ccc12 2325873540 KVIWTWKFEBKIMM-UHFFFAOYSA-N 332.367 2.420 30 50 EEEA COCCN1CCC[C@@]2(CCCN2Cc2ccc(C#N)cc2)C1=O 2356143400 GHBWZRVWEFXZEN-LJQANCHMSA-N 327.428 2.162 30 50 EEEA COc1ccc(OC)c(NC(=O)C[n+]2cn(C)c3ccccc32)c1 2532602 YIBORCCHVKHYNM-UHFFFAOYSA-O 326.376 2.122 30 50 EEEA CC1(C)OB(c2cncc(OCCCN3CCCC3)c2)OC1(C)C 310511995 PUFMWVILFOGTBO-UHFFFAOYSA-N 332.253 2.246 30 50 EEEA CCN(CC(=O)O)C1CC(/N=C(/O)CO[C@@H]2CCC[C@H](C)C2)C1 328641726 QTQNEDZSPYMGJY-VXGQWTEUSA-N 326.437 2.476 30 50 EEEA Cc1nc(CN(C)[C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)no1 372817190 XZRVHVPMWWFGED-OAHLLOKOSA-N 329.379 2.095 30 50 EEEA Cc1nscc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 181896818 CNNZUPXLMDSUIV-UHFFFAOYSA-N 330.388 2.425 30 50 EEEA N#Cc1cc(CN2CCC(C(=O)NCCc3ccccc3)CC2)c[nH]1 952989354 QCDLUAROVHRGCT-UHFFFAOYSA-N 336.439 2.457 30 50 EEEA C#Cc1cccc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 14977536 UEMKLKVEKZRRIO-LJQANCHMSA-N 332.403 2.241 30 50 EEEA Cc1cccc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)c1C 18161852 DFRZIZSPMMGJQL-UHFFFAOYSA-N 343.339 2.454 30 50 EEEA N#Cc1ccc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)s1 328628261 HCFMECIALHXKBN-CYBMUJFWSA-N 343.412 2.232 30 50 EEEA Cc1ccnc(C)c1N=C(O)c1cc(S(=O)(=O)N(C)C)oc1C 331239263 JRYORMYWRATPPB-UHFFFAOYSA-N 337.401 2.486 30 50 EEEA C[C@@H]1C[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CO1 332214201 VVEZSMXOYXRKFR-PWSUYJOCSA-N 330.775 2.761 30 50 EEEA C(=N/N=c1ccc(-n2ccnc2)n[nH]1)\c1cnc(-c2cccnc2)s1 1875264015 MYLGFZQHNOGQCK-KEBDBYFISA-N 348.395 2.049 30 50 EEEA COc1cc(OC)c([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OC 1431772 VKBLFFCIGJYTJQ-LLVKDONJSA-N 331.368 2.323 30 50 EEEA CCn1c(C)nc2cc(C(=O)OC)cc(B3OC(C)(C)C(C)(C)O3)c21 170008472 XHKNXDMCJWGGPD-UHFFFAOYSA-N 344.220 2.450 30 50 EEEA CN1CCC[C@]2(CCN(Cc3ccc(C#CC(C)(C)O)s3)C2)C1=O 67866975 FUBJJONILRBXGQ-LJQANCHMSA-N 346.496 2.315 30 50 EEEA N#Cc1ccc([C@@H](N[C@H](CO)c2ccc(Cl)cc2)C(N)=O)cc1 351949505 PYJRQIDQCZYDOJ-HZPDHXFCSA-N 329.787 2.061 30 50 EEEA CN(C)c1cc(/C(N)=N/OCc2cn3ccccc3c2C#N)ccn1 170651017 UCJFMCDHLKVQTK-UHFFFAOYSA-N 334.383 2.109 30 50 EEEA C=CCNC(=O)[C@@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 15074341 HLERGTQFAYACJS-GOSISDBHSA-N 342.487 2.060 30 50 EEEA CC#CCN(C)S(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 871969543 KVRQIRQZTNIMEF-UHFFFAOYSA-N 335.303 2.047 30 50 EEEA C=C[C@@](C)(O)CC(=O)N1CCC(c2nccc(N3CCCC3)n2)CC1 952891595 GVLLVJWDKKKERO-LJQANCHMSA-N 344.459 2.110 30 50 EEEA Cc1cc(C)c(C#N)c(SC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)n1 229647539 RLCUWQPHCFQHOX-SOUVJXGZSA-N 335.473 2.132 30 50 EEEA Cc1ncc(N=C(O)N2CCC[C@@H](Cn3ccnn3)C2)c(C2CC2)n1 328588496 QXFICFPMHXMSAH-CYBMUJFWSA-N 341.419 2.212 30 50 EEEA C=CCc1cc(-c2nccn2Cc2cc(=O)[nH]cn2)cc(OC)c1O 77472071 IFYZTJIDAXLMQO-UHFFFAOYSA-N 338.367 2.124 30 50 EEEA C=C(C)COCCN[C@H]1CCS(=O)(=O)c2cc(F)c(F)cc21 156734613 QRIWWSCNDRBETD-AWEZNQCLSA-N 331.384 2.366 30 50 EEEA CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccccc1C#N 71767360 JMIDAGKGKUISCB-VKAVYKQESA-N 331.357 2.008 30 50 EEEA C[C@@H]1Cc2ccccc2CN1C(=O)CNC(=O)c1ccc(C#N)cc1 185852997 VUFLXKQLZAVAJT-CQSZACIVSA-N 333.391 2.261 30 50 EEEA C[C@H](c1cccc(C#N)c1)N1CCN(c2ncnc(N)c2Cl)CC1 225485626 XYJKNZCKKNZBHW-GFCCVEGCSA-N 342.834 2.467 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 378034601 MUYMMRAUNXGVCK-ZDUSSCGKSA-N 325.372 2.177 30 50 EEEA C/N=C1\S/C(=C\c2ccc(I)o2)C(=O)N1C 100272045 SBQVANKQMFIJJP-PSVOIDRLSA-N 348.165 2.416 30 50 EEEA CC[C@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C#N)C1 20581437 SOINWEPNXJHKQT-LBPRGKRZSA-N 333.457 2.405 30 50 EEEA Cc1noc([C@@H](/N=C(/O)c2ccn3cncc3c2)C2CCOCC2)n1 328614477 WGWWLRJJWJQDBR-HNNXBMFYSA-N 341.371 2.498 30 50 EEEA CC(C)(C)OC(=O)NCCC(=O)NCc1cc(F)c(C#N)c(F)c1 408516181 VVFYWMWZIHFNBK-UHFFFAOYSA-N 339.342 2.367 30 50 EEEA Cc1ccnc(N=C(O)N[C@@H](c2nc(C)no2)C2CCOCC2)c1 328619913 GKMVXUAEOPRIOT-CQSZACIVSA-N 331.376 2.384 30 50 EEEA CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cc(C#N)ccc1Cl 160689053 VLJMHAPWYUANDB-VIFPVBQESA-N 330.793 2.085 30 50 EEEA CC(=O)N1C[C@H](NC(=O)C2(C#N)CCCC2)CC[C@@H]1C(F)(F)F 886034149 XSKVVOJGJYZGRC-VXGBXAGGSA-N 331.338 2.128 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)N=N1 1775994895 OUOXWXPDFRPMPR-BFYDXBDKSA-N 333.432 2.121 30 50 EEEA COc1ccc(C#N)cc1NS(=O)(=O)c1csc(C(=O)O)c1 352897232 FHKGZCCEGHEJJD-UHFFFAOYSA-N 338.366 2.127 30 50 EEEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)COC[C@@H]2CCCO2)cn1 328640090 XDEBJWQBGLXRMO-YQQAZPJKSA-N 337.420 2.275 30 50 EEEA Cn1c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)nnc1C1CCC1 366422507 FCXPFBCMFHMQTI-OAHLLOKOSA-N 338.415 2.003 30 50 EEEA Cc1cc([C@H](C)/N=C(/O)N2CCc3c(ncn(C)c3=O)C2)c(C)s1 330059758 LNPCEWKZWMGOGU-NSHDSACASA-N 346.456 2.492 30 50 EEEA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(C#N)c1 241170933 KCYCPDXWEPNEQJ-OIISXLGYSA-N 341.411 2.303 30 50 EEEA N#Cc1ccccc1OCC(=O)N1CCNC(=O)C[C@H]1c1ccccc1 194610550 CZGIVZRDRBHIGI-KRWDZBQOSA-N 349.390 2.027 30 50 EEEA C#CCCC1(CCC(=O)NC2CCN(C[C@H]3CCCO3)CC2)N=N1 952879891 ANKBOWUUPUPTHZ-MRXNPFEDSA-N 332.448 2.102 30 50 EEEA C=CCOc1c(Cl)cc(C(=O)NCCNC(C)=O)cc1Cl 55308607 WGJYWAJJDRQUJE-UHFFFAOYSA-N 331.199 2.424 30 50 EEEA COc1cc2c(cc1OC)/C(=C/C(=O)C(=O)OC(C)C)NC(C)(C)C2 100457963 FCLSSEQIBBIBFO-ZROIWOOFSA-N 347.411 2.490 30 50 EEEA Cc1cc(O)nc2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc12 367961813 INYXNLFIKKEFDM-OAHLLOKOSA-N 336.395 2.061 30 50 EEEA N#CC1(c2ccccc2)CCN(c2cc([C@@H]3CCOC3)nc(N)n2)CC1 426479055 USIKNEJUVRZGRG-OAHLLOKOSA-N 349.438 2.624 30 50 EEEA C=CC[C@]1(CO)CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1 91934601 WSYYAEZDZBCNSW-IBGZPJMESA-N 343.427 2.007 30 50 EEEA CCOc1cc(C#N)ccc1O[C@@H]1CCN(CC(F)(F)F)C1=O 109716225 LDKQTASPVCZIFE-GFCCVEGCSA-N 328.290 2.499 30 50 EEEA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)COc1ccc(C#N)cc1 239274866 AUBMZDATDBAYQC-JKIFEVAISA-N 344.411 2.421 30 50 EEEA N#Cc1cc2c(nc1N[C@@H]1CCN(C(=O)c3ccncc3)C1)CCC2 370540748 WPOMGJGOMIBNHZ-MRXNPFEDSA-N 333.395 2.164 30 50 EEEA CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccccc1-n1ncc(C#N)c1N 408522300 HCTJSXVSYROKBT-CZUORRHYSA-N 339.399 2.326 30 50 EEEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)NCc2ccco2)cc1 1565510643 MAOFLRPNKNYLGN-IRXDYDNUSA-N 341.367 2.187 30 50 EEEA Cc1nc(N[C@@H]2CNCC[C@@H]2C#N)c2cnn(-c3ccccc3)c2n1 1875306305 ZXENIKFYVVVNBY-CZUORRHYSA-N 333.399 2.038 30 50 EEEA CC1=NNC(=O)[C@H]1[C@H](c1ccc(Br)cc1)C(C#N)C#N 100363966 JGLGUOLSSHYZSX-CHWSQXEVSA-N 331.173 2.318 30 50 EEEA COc1ccc(C(=O)O)c(NS(=O)(=O)c2ccc(C#N)s2)c1 318768620 AYNNCHZYLSPTNP-UHFFFAOYSA-N 338.366 2.127 30 50 EEEA COc1ccccc1N1CCN(C(=O)c2ccc(C#N)nc2)[C@@H](C)C1 72411250 STYJYIPIAWSTIG-AWEZNQCLSA-N 336.395 2.313 30 50 EEEA C=CCC1(NS(=O)(=O)c2cc(C(=O)O)ccc2C)CCOCC1 656721732 TYLRGWSDUARROU-UHFFFAOYSA-N 339.413 2.097 30 50 EEEA C#CCCC1(CCNC(=O)C2(Oc3ccccc3)CCNCC2)N=N1 2325900917 NMCIZFYRBYNKBE-UHFFFAOYSA-N 340.427 2.269 30 50 EEEA N#Cc1c(N)nc2c(c1-c1ccc(O)c(C(=O)O)c1)N1CCC2CC1 102184778 CYVYNHGGSLXOGE-UHFFFAOYSA-N 336.351 2.304 30 50 EEEA N#C[C@@H]1CCC[C@@H]1OC(=O)[C@@H](c1ccccc1F)N1CCOCC1 253425720 VYCDARJUGCOCCI-RRQGHBQHSA-N 332.375 2.434 30 50 EEEA Cc1ccn(C)c(=O)c1N/C(O)=N/C1CCN(C(=O)CC(C)C)CC1 331298652 PMJTTXBXHHNWAX-UHFFFAOYSA-N 348.447 2.057 30 50 EEEA CC(C)(C#N)c1ccccc1CN1CCC[C@](O)(Cn2ccnn2)C1 284542108 KTACBSDYTKIHJM-LJQANCHMSA-N 339.443 2.106 30 50 EEEA Cn1ccnc1SCCNC1CCN(c2cc(C#N)ccn2)CC1 95522288 PFVKENDUOOXUGA-UHFFFAOYSA-N 342.472 2.037 30 50 EEEA CCCn1nnnc1/N=C(\O)c1cc(Br)ccc1OC 467857 MZUOLYFPUMUKLU-UHFFFAOYSA-N 340.181 2.491 30 50 EEEA CC1(C)CN(/C(O)=N/[C@@H]2CCOC3(CCC3)C2)C[C@]2(CCOC2)O1 329940098 BKCXCNWWVOSSBD-KDOFPFPSSA-N 338.448 2.272 30 50 EEEA C[C@@H]1C[C@H](CN=c2[nH]c3ccccc3cc2C#N)CN1C(=O)C(F)F 1875337572 YJXQEQDGUHPKHY-VXGBXAGGSA-N 344.365 2.442 30 50 EEEA COc1cc(C#N)c(NC(=O)CN2C[C@H](C)C[C@@H](C)C2)cc1OC 1425566 FCUHNMGEMCNHJX-CHWSQXEVSA-N 331.416 2.492 30 50 EEEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1c(C)nn(C)c1C 5593698 QCQDPITVLGBTDK-KRWDZBQOSA-N 329.400 2.178 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccc(Cl)c(C#N)n2)C1 328612503 OWGGEBDVESTRPR-HNNXBMFYSA-N 346.778 2.380 30 50 EEEA CS(=O)(=O)N(C1CCC1)[C@H]1CCCN(c2ccc(C#N)cn2)CC1 328655759 YQNLASCDZYFMGV-INIZCTEOSA-N 348.472 2.126 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CC[C@H]1CC[C@H](C)O1 170645796 DOAYDCQSSYNBMT-GXTWGEPZSA-N 336.413 2.019 30 50 EEEA N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cnc(C3CCC3)nc1O)C2 1875278718 XSXLNQRPZAXCQN-HNNXBMFYSA-N 334.379 2.219 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)Cc2ccc(C)cc2)cc1OC 4986024 SHKBBBXOYIZASD-UHFFFAOYSA-N 328.368 2.418 30 50 EEEA CC(C)(C)c1cnc(CN/C(O)=N/Cc2nnc3n2CCCCC3)o1 329538894 MOIYNWRIEYPGDP-UHFFFAOYSA-N 346.435 2.494 30 50 EEEA CN(C)c1cc(/C(O)=N/CCCc2nncn2C)c2ccccc2n1 328592139 ZFOFFFQBHFOCBK-UHFFFAOYSA-N 338.415 2.367 30 50 EEEA Cn1cc([C@@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cn1 229562983 XDUDEUYGMVMGMS-MJGOQNOKSA-N 340.427 2.063 30 50 EEEA N#Cc1ccc(CNC(=O)C2CCN(C3CCOCC3)CC2)cc1 97155638 MSCBQKXALWDDEV-UHFFFAOYSA-N 327.428 2.065 30 50 EEEA COc1ccc(C[C@H]2S/C(=N\N=C\c3ccco3)NC2=O)cc1 18209341 RGZLHGFMIXGYRG-NGWPFTMJSA-N 329.381 2.452 30 50 EEEA N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCc3c[nH]nc32)CC1 2325766253 JXKHLKFAPMEIDV-INIZCTEOSA-N 335.411 2.050 30 50 EEEA CC1=NNC(=O)[C@H]1[C@@H](c1ccc(Br)cc1)C(C#N)C#N 100363955 JGLGUOLSSHYZSX-OLZOCXBDSA-N 331.173 2.318 30 50 EEEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1cncnc1)N[C@@H]1C=CCCC1 328642918 REJCXLKKUDZMMM-XHSDSOJGSA-N 333.411 2.001 30 50 EEEA COC(=O)C1(NC(=O)CSc2cc(C#N)ccn2)CCCCC1 298782701 JJLJARZQAMBTTD-UHFFFAOYSA-N 333.413 2.037 30 50 EEEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 408515525 CNFPLWVCLBLFJP-OAGGEKHMSA-N 338.448 2.152 30 50 EEEA Cc1ccc([C@H](C(=O)O)N2CCCn3nc(C#N)cc3C2)cc1F 1506426392 HTCXVYWVLOADGL-MRXNPFEDSA-N 328.347 2.234 30 50 EEEA N#CCCOCCN1CCC(c2nccc(N3CCCC3)n2)CC1 952893009 QTFQFHZTIZWXMV-UHFFFAOYSA-N 329.448 2.186 30 50 EEEA C#CC[C@@H]1NC(=O)N(CCOc2ccccc2C(F)(F)F)C1=O 225542775 YSXNKJDYMYAWRA-NSHDSACASA-N 326.274 2.028 30 50 EEEA COC(=O)[C@@H]1C(=O)/C(=C\Nc2ccc(OC)cc2)C(=O)CC1(C)C 103694447 VBTRBPYMJUEVAN-WVUXNXBLSA-N 331.368 2.348 30 50 EEEA C=C(C)CN(CC)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 190252779 HNHSILVPXDXZSD-KRWDZBQOSA-N 340.427 2.267 30 50 EEEA N#Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 11906572 XJMQLMRSZGKKDO-UHFFFAOYSA-N 341.392 2.486 30 50 EEEA CCN(CC#N)S(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1Br 1875362894 XXJPADRYSXVMAA-DGCLKSJQSA-N 343.246 2.480 30 50 EEEA CN(C)c1ccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cn1 67856261 WSIJRXIPZPBNGU-SWLSCSKDSA-N 334.427 2.355 30 50 EEEA CCc1ncc(/C(O)=N/[C@H]2CCCN(c3nccnc3O)C2)s1 328635390 NJBGZBFNUQQDPW-JTQLQIEISA-N 333.417 2.175 30 50 EEEA C=CCn1c(SCc2noc(C3CC3)n2)nnc1C1CCNCC1 426477710 JPQSMZSTJDPOKI-UHFFFAOYSA-N 346.460 2.484 30 50 EEEA C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CC[C@@]1(O)C1CCOCC1 91819654 RHXFPGOAALUORG-KUHUBIRLSA-N 328.412 2.198 30 50 EEEA N#Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]2CN(C(=O)C2CCC2)C3)c1 1565525324 DNRWPUOEMNXHEB-QAPCUYQASA-N 337.423 2.421 30 50 EEEA C=CCOc1cc(Br)c(CNCCCO)cc1OC 16527057 UOHUOSLSMOWCCF-UHFFFAOYSA-N 330.222 2.495 30 50 EEEA N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 253392746 FZZXRBYPXJCYQR-CZUORRHYSA-N 331.372 2.446 30 50 EEEA Cc1nnccc1N=C(O)N1CCN(c2nc(C)c(C)s2)CC1 329632210 WGMKOZQWRXGEFA-UHFFFAOYSA-N 332.433 2.226 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CCCS3)CC2)c(F)c1 125129977 UCHSPLIUDGSBMF-AWEZNQCLSA-N 348.447 2.425 30 50 EEEA N#Cc1cccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)c1 82096990 AERRRRCULQXBMJ-FQEVSTJZSA-N 341.455 2.145 30 50 EEEA CN1CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 602048697 ZDEHPIZLMNEPPX-IBGZPJMESA-N 340.471 2.077 30 50 EEEA Cn1nc(C2CCOCC2)cc1C(=O)Nc1cc(CC#N)ccn1 1775300787 ZDQMHHOZUUDFNY-UHFFFAOYSA-N 325.372 2.027 30 50 EEEA C=CCNC(=O)N1CCC2(CC1)Nc1ccccc1N(CC)C2=O 67725881 FBACEAHXJSYZNZ-UHFFFAOYSA-N 328.416 2.195 30 50 EEEA O/C(=N/C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@H]1CCc2nn[nH]c2C1 329046223 PXJLGQFPIJACCL-BHDSKKPTSA-N 346.353 2.350 30 50 EEEA CN(C[C@H]1CCCCN1C)C(=O)c1cccc(C#CC(C)(C)O)c1 216941412 OXGPJEOFTBHONK-GOSISDBHSA-N 328.456 2.365 30 50 EEEA C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc(C#N)cn1C 377109238 AQQJXIWIOWFQGY-LBPRGKRZSA-N 338.415 2.363 30 50 EEEA COC(=O)[C@]1(C)C[C@H]2CC(=O)C=C[C@@]2(S(=O)(=O)c2ccccc2)C1 71786200 KCROTFDWPSWGDJ-FSPWUOQZSA-N 348.420 2.317 30 50 EEEA CCC1(O)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 269700206 ADQLYKALHDEWPN-UHFFFAOYSA-N 328.821 2.137 30 50 EEEA Cc1cc(C#N)nc(N[C@@H]2C[C@@H](Cn3cc(Cl)cn3)C[C@H]2O)c1 1875398738 CYLHPJSGQGCEOD-KCPJHIHWSA-N 331.807 2.363 30 50 EEEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2ncon2)C1 2325774392 YNAZIDNYTBWGLE-GXTWGEPZSA-N 326.356 2.115 30 50 EEEA C#CCCC1(CCNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)N=N1 2325891012 LVUDEFHWEPSLJD-OAGGEKHMSA-N 334.464 2.202 30 50 EEEA C[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1=O 328953863 MPGABEJNUZUIMH-HIFRSBDPSA-N 343.402 2.351 30 50 EEEA CCn1cc(CN2CCC[C@H](c3nc(CCOC)no3)C2)cc1C#N 72130676 KCADZRJRXQFQKP-HNNXBMFYSA-N 343.431 2.331 30 50 EEEA CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccc(F)cc1F 282580793 GYQWHWAPOUIROK-HZMBPMFUSA-N 331.388 2.342 30 50 EEEA COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2cc(C#N)oc2C)c1 282516437 OIPBKGKIMOZBKR-SUMWQHHRSA-N 326.352 2.416 30 50 EEEA CN1CCO[C@@H]([C@H](Nc2cnc(C#N)cn2)c2ccc(Cl)cc2)C1 128752472 IDSHYOSKGHINLZ-NVXWUHKLSA-N 343.818 2.485 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O 253431786 UCQNPIMWQRAMEG-MWQQHZPXSA-N 328.412 2.278 30 50 EEEA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc(C#N)oc2C)C3)o1 952851439 LGYBMVBNRIJDJT-SJCJKPOMSA-N 326.356 2.345 30 50 EEEA CC(=O)NCc1c[nH]nc1[C@@H]1CCN(c2ccc(C#N)cc2F)C1 952889897 OIDZPQPCIIDOND-CYBMUJFWSA-N 327.363 2.050 30 50 EEEA C#CCCC1(CCC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)N=N1 952880275 FGOVGUOEHMAUBD-INIZCTEOSA-N 332.448 2.055 30 50 EEEA Cc1nc(NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)ccc1C#N 888102678 FOLDGSYZMPJTQH-KDOFPFPSSA-N 338.415 2.017 30 50 EEEA CC/N=C(S)\N=C(\NCc1cccnc1)Nc1nc(C)cc(C)n1 8757312 YFYITDQGYDJPPU-UHFFFAOYSA-N 343.460 2.352 30 50 EEEA N#Cc1ccc2nc(N[C@@H]3CCN(C(=O)c4ccncc4)C3)ccc2c1 362357137 ILFHQAZMNUXOOK-QGZVFWFLSA-N 343.390 2.828 30 50 EEEA Cc1cc(C#N)nc(NCc2ccc(CN3CCC(O)CC3)cc2)n1 281114468 GUHQTMPHAFCHRI-UHFFFAOYSA-N 337.427 2.226 30 50 EEEA C=C(C)CS(=O)(=O)N1CCOC[C@@H]1c1nc(-c2ccccc2)no1 282245168 ISCNFJTZVSJEOX-CQSZACIVSA-N 349.412 2.016 30 50 EEEA Cc1cc(N2CCCO[C@H](C)C2)c(C#N)c(N2CCCO[C@H](C)C2)n1 408518661 SPEUQSVHXWALBG-HZPDHXFCSA-N 344.459 2.492 30 50 EEEA Nc1nnnn1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 361157 KVNCNJCVTJJXJL-GIJQJNRQSA-N 328.763 2.370 30 50 EEEA O=C(C[n+]1c2n(c3ccccc31)C[C@@H](O)CS2)c1ccccc1 13154760 PEFAWGUYHGUYEN-CQSZACIVSA-N 325.413 2.278 30 50 EEEA N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1 328630116 JAQHRJDTJRIMLH-GJZGRUSLSA-N 344.415 2.357 30 50 EEEA CC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 5182930 VWDQPQWBFRDJAQ-UHFFFAOYSA-N 346.390 2.493 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O 253431793 UCQNPIMWQRAMEG-MXASKKJJSA-N 328.412 2.278 30 50 EEEA CC1(C)OB(c2cc(C(F)(F)F)cc([N+](=O)[O-])c2N)OC1(C)C 170007993 ZXJFCAKUOWAURX-UHFFFAOYSA-N 332.087 2.495 30 50 EEEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)NC[C@@H]1CCOC1 328641007 XTGADRSUOVOTDA-QWRGUYRKSA-N 346.353 2.004 30 50 EEEA N#Cc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2cccnc2N)c1 72422279 XXBQHDCMSQPUAD-GOSISDBHSA-N 330.395 2.406 30 50 EEEA N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCOC2 242140826 WPNGRHJPWSQKNI-LLVKDONJSA-N 327.365 2.177 30 50 EEEA C#CCOc1ccc(C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1 295689819 QDSXLNYCQAILDI-HNNXBMFYSA-N 342.439 2.452 30 50 EEEA C#CCNC(=O)c1cccc(-c2noc(C3(O)CCCCC3)n2)c1 275863543 XYIXRMJIAYLUKY-UHFFFAOYSA-N 325.368 2.251 30 50 EEEA COc1ccnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 278123221 YLLXVRZQSBUIKC-UHFFFAOYSA-N 329.791 2.337 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)N=N1 952882283 SZYQTNKCFKGZQT-SFHVURJKSA-N 336.395 2.465 30 50 EEEA C[C@H](CN1CCOCC1)/N=C(/O)c1cc(O)cc(C(F)(F)F)c1 328592710 KWCWTPUPYPZHPG-SNVBAGLBSA-N 332.322 2.436 30 50 EEEA N#Cc1ccccc1/C=C/C(=O)N1CCc2ccccc2[C@@H]1C(N)=O 377580991 JQNFZRKKILGPQV-JBVUFVISSA-N 331.375 2.183 30 50 EEEA C[C@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)Cc1ccsc1 82106365 VCHCRUISJSUCPW-ZDUSSCGKSA-N 339.420 2.426 30 50 EEEA O=S(=O)(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 71989 BPIOJCNNAOQBHP-LZYBPNLTSA-N 338.772 2.381 30 50 EEEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@]1(O)CCSC1 328631282 QTOCMDFXOTVKQO-TVQRCGJNSA-N 349.378 2.289 30 50 EEEA CCOCCN1CCN(c2nc3c(cc2C#N)CCC3)C[C@H]1CC 264783642 RFIHCYIBDAQTHT-QGZVFWFLSA-N 328.460 2.379 30 50 EEEA N#CCc1ccc(S(=O)(=O)NCc2cc(C(=O)O)ccc2F)cc1 1875262914 SXXGOIVQMRNNHT-UHFFFAOYSA-N 348.355 2.068 30 50 EEEA N#C[C@@]12CCCCC[C@@H]1CN(S(=O)(=O)N1CCC(F)(F)CC1)C2 2325782838 JZBCZBCKEJOZKH-ZIAGYGMSSA-N 347.431 2.368 30 50 EEEA CO[C@@H](C(=O)NS(=O)(=O)c1cc(C#N)ccc1C)c1ccccc1 114989218 BKKFUZOUEQMHOC-MRXNPFEDSA-N 344.392 2.059 30 50 EEEA COc1cc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)ccc1C#N 373022478 IGDCQGQYFJEATQ-QGZVFWFLSA-N 326.400 2.236 30 50 EEEA COC[C@](C)(C#N)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 291415086 FZSZPVPEGRCICF-HNNXBMFYSA-N 336.298 2.333 30 50 EEEA C=CC[C@]1(CO)CCCN(S(=O)(=O)CCOc2ccccc2)C1 92022788 BVAOWEGQWJKMPF-KRWDZBQOSA-N 339.457 2.046 30 50 EEEA CC(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1 1772768753 LGWDVWIZDPGCFG-UHFFFAOYSA-N 349.438 2.363 30 50 EEEA C=CCNC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 12432337 FAZSARZLSFRGMZ-MRXNPFEDSA-N 339.399 2.171 30 50 EEEA CN(/C(O)=N/C[C@@H]1CC(=O)N(C2CC2)C1)C1CCC(F)(F)CC1 329587746 YVMHCCWLWJSNQA-NSHDSACASA-N 329.391 2.421 30 50 EEEA N#CCCN(Cc1cccnc1)C(=O)c1ccc2c(O)ncnc2c1 1153758568 VOVYJUUUSSEQMC-UHFFFAOYSA-N 333.351 2.286 30 50 EEEA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1c1nccc(C#N)c1Cl 1875399928 MHCOWQNQXJBWSZ-YPMHNXCESA-N 344.806 2.418 30 50 EEEA Cc1cc(N(C)C2CCN(c3ccncc3)CC2)n2ncc(C#N)c2n1 2325792745 KFRHQSMOVSZOMZ-UHFFFAOYSA-N 347.426 2.410 30 50 EEEA O/C(CN1CCN(Cc2ccc(F)cc2)CC1)=N\c1nncs1 22923252 TVRVNKPUYFSUFW-UHFFFAOYSA-N 335.408 2.083 30 50 EEEA C=CCN(Cc1ccccc1OC)C(=O)C1CCN(C(C)=O)CC1 55281153 MVFKRKIFHYWDOE-UHFFFAOYSA-N 330.428 2.468 30 50 EEEA CC1=C(C(=O)N2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)NC(=O)N1 67847582 LMICXPUNRVLVLQ-CYBMUJFWSA-N 338.411 2.046 30 50 EEEA COc1cccc(CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1 350150817 CWHPGUDKEJAADS-MRXNPFEDSA-N 334.379 2.003 30 50 EEEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2ccn3ccnc3c2)cn1 328625930 LDQCYVKKSLTDLY-GOEBONIOSA-N 325.372 2.386 30 50 EEEA NC(=S)C(=NNc1ccccc1C(F)(F)F)C(=O)N1CCCC1 263631977 FLSAKLFZNFENHT-UHFFFAOYSA-N 344.362 2.382 30 50 EEEA N#Cc1cccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2cscn2)c1 1565514425 FQALPJMYWLYYPA-HOTGVXAUSA-N 343.408 2.119 30 50 EEEA CC1(C)OB(c2ccccc2B2OC(C)(C)C(C)(C)O2)OC1(C)C 196754093 VCTMQXIOUDZIGS-UHFFFAOYSA-N 330.042 2.285 30 50 EEEA in-vitro Oc1c(Br)cc(Br)cc1/C=N\n1cnnc1 28589 FSAFQDYFUJMDCZ-BNNQUZSASA-N 345.982 2.391 30 50 EEEA C=CCCC(=O)NCCc1nnc(SCc2ccccn2)n1C 12152276 PHDNFJHDASZVBJ-UHFFFAOYSA-N 331.445 2.127 30 50 EEEA COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccc(C)cc1 13470922 KLXPZXMGFWZKIO-VXLYETTFSA-N 343.408 2.390 30 50 EEEA aggregator O=S1(=O)CCO[C@H](C/N=C(/O)CCc2cc(Cl)cs2)C1 329087897 VNEISOZBRPSXOS-SNVBAGLBSA-N 337.850 2.104 30 50 EEEA N#Cc1ccc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1Cl 119760420 VEWHZHBAPZGVPP-ZDUSSCGKSA-N 348.834 2.398 30 50 EEEA CC(C)n1ccc(C(=O)NC/C(O)=N/CCN2CCCCCC2)n1 328592301 WUZVWQGFLBAHLR-UHFFFAOYSA-N 335.452 2.026 30 50 EEEA Cc1ccc(N=C(O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cn1 328619952 GNMJSMYIBPBSER-HOCLYGCPSA-N 329.404 2.406 30 50 EEEA Cc1cnc([C@H](/N=C(/O)c2cn([C@@H]3CCOC3)nn2)C2CC2)s1 330101872 IDXOFMWHVGZXIJ-DGCLKSJQSA-N 333.417 2.460 30 50 EEEA N#Cc1ccc(C(=O)N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)cc1 91894092 JFTOJYJZAULETB-FQEVSTJZSA-N 337.423 2.423 30 50 EEEA Cc1nnc([C@@]23COC[C@@H]2CN(c2cccc(Cl)c2C#N)C3)o1 685942947 YCZGEIVVNQCRRX-ZBEGNZNMSA-N 330.775 2.308 30 50 EEEA O=C(O)C[C@H]1S/C(=N/N=C/c2cccc(Cl)c2Cl)NC1=O 4755495 LMFYAHFCNVJFQC-SDUWKLLGSA-N 346.195 2.390 30 50 EEEA C#CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 248172796 SZTUJHLYHVQZML-VQIMIIECSA-N 343.446 2.256 30 50 EEEA CC[C@@H](CC#N)NC(=O)c1cccc(C(=O)N[C@@H](CC)CC#N)c1O 242191364 XEYUTOOSRQCAFR-STQMWFEESA-N 342.399 2.236 30 50 EEEA Cc1cc(C)n2c(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)cnc2n1 367782745 UNUBVHZCPYTKFJ-QGZVFWFLSA-N 348.410 2.266 30 50 EEEA N#Cc1cccc(CS(=O)(=O)NC(=O)c2scnc2C2CC2)c1 128016435 MSOVQENOLOLBMT-UHFFFAOYSA-N 347.421 2.152 30 50 EEEA CCC[C@@H](C#N)NC(=O)c1c(C)nsc1I 1775997083 UNZOVXPHISTHQB-ZETCQYMHSA-N 349.197 2.478 30 50 EEEA Cc1cc(N2CCCN(C)C3(CCN(C)CC3)C2)nc(C)c1C#N 2356163626 LIUSJQRVTGEGOL-UHFFFAOYSA-N 327.476 2.176 30 50 EEEA C=CCOc1ccc(/C=C2/C(=O)NC(=S)N2C(C)=O)cc1OCC 100930637 BGCAXQWLYBODFS-LCYFTJDESA-N 346.408 2.254 30 50 EEEA CN(C(=O)CN1CCC[C@H]1[C@@H](O)C(F)(F)F)C1(C#N)CCCCC1 330676160 KCQFPPWAXFHJKM-GXTWGEPZSA-N 347.381 2.059 30 50 EEEA C=CCn1nc(C(=O)O)c2c1CC[C@H](N1CCC(C(C)(C)O)CC1)C2 77504674 IAHWGZCXWFGFPS-AWEZNQCLSA-N 347.459 2.108 30 50 EEEA C#CCN1CCC(C(=O)NC[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1 265262456 IQGDBWOCPTUEPG-LJQANCHMSA-N 342.483 2.479 30 50 EEEA C=C[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 390103 QSRVJEVXKKHSJD-NSHDSACASA-N 342.424 2.138 30 50 EEEA C=C(C)C(C)(C)C(=O)N1CC(NS(=O)(=O)c2ccc(C)cc2)C1 424832997 OMVUNDSRHQPDHF-UHFFFAOYSA-N 336.457 2.086 30 50 EEEA COc1cc(C#N)ccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 366445989 WTASGMQZFZZUMV-KRWDZBQOSA-N 334.379 2.487 30 50 EEEA C[C@]1(C2CCN(c3c(Cl)cccc3C#N)CC2)NC(=O)NC1=O 374210473 UZXJJVCKUCWLTA-MRXNPFEDSA-N 332.791 2.026 30 50 EEEA N#CCCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 2841565 WFLGBQKVAJOEKU-LJQANCHMSA-N 335.363 2.193 30 50 EEEA COc1ccccc1C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1 9341865 KOKOVSMCXJPBIB-UHFFFAOYSA-N 348.366 2.412 30 50 EEEA COc1cccc(/C(O)=N/Cc2cccc(CS(C)(=O)=O)c2)c1O 328598973 PMRFISOTJZWXSW-UHFFFAOYSA-N 349.408 2.450 30 50 EEEA C[C@@H](O/N=C(/N)c1ccc2c(c1)CCO2)C(=O)N1CCCCCC1 158223724 WUUCFPMCXIAUJG-CYBMUJFWSA-N 331.416 2.050 30 50 EEEA CC[C@H]1CN2CCC[C@H]2CN1C(=O)NCCc1cccc(C#N)c1 374273988 PCSDAMNLABNIIU-ROUUACIJSA-N 326.444 2.369 30 50 EEEA CN1CCC[C@@H](CCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 92107988 GLADPXLJRLCIPX-SFHVURJKSA-N 340.471 2.329 30 50 EEEA Cc1nnc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(C#N)c1C 240540873 GPWGAYQTTLADPI-OALUTQOASA-N 349.438 2.055 30 50 EEEA C=CC[C@H]1N(C(=O)c2ccnc3c(C(N)=O)cnn23)CCCC1(C)C 278123921 LZKKWCXWPGERKW-CQSZACIVSA-N 341.415 2.035 30 50 EEEA C=CCc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)cc(OC)c1OC 765840386 WIEYINBTXXRRIZ-GJZGRUSLSA-N 346.427 2.077 30 50 EEEA CC(C)Cc1noc([C@@H]2CCCN(C(=O)c3cc(C#N)cn3C)C2)n1 1506421490 QJUYCDNTAOCIMV-CQSZACIVSA-N 341.415 2.498 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](C(=O)OC)[C@@H]2C[C@H]3CC[C@H]2C3)N=N1 2325892890 OYIWXKZMRZPGLW-TTZDDIAXSA-N 331.416 2.436 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccnc(C3CC3)n2)C1 328608834 BJWWIQLQAVVIFP-MRXNPFEDSA-N 328.376 2.127 30 50 EEEA COCCn1nc(C)c(N=C(O)N2CCC[C@@H]2c2cnn(C)c2)c1C 329152125 SUNCTLFVAFFMBT-OAHLLOKOSA-N 346.435 2.262 30 50 EEEA N#C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2F)CCN1C1CC1 373394069 PJKQOXQHHDCMMP-JTQLQIEISA-N 325.746 2.431 30 50 EEEA CC(C)=CC(=O)N1CCc2ncnc(N3CCC[C@@H](C#N)C3)c2CC1 72447567 MRVJKKLJTYCVBV-HNNXBMFYSA-N 339.443 2.110 30 50 EEEA C[C@]1(C(=O)N2CC[C@@H](N/C(O)=N/C3CC3)C2)CCc2ccccc2C1 329543177 YDTVJZXNRMIBDA-XLIONFOSSA-N 341.455 2.449 30 50 EEEA N#Cc1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c(F)c1 1875326968 NPYHXLBGQXCZBP-AEFFLSMTSA-N 337.354 2.447 30 50 EEEA CCOC(=O)c1cnc(CNC(=O)[C@@](C)(C#N)CC)nc1C(F)F 2325879847 JTVQWUKSDTXWJG-OAHLLOKOSA-N 340.330 2.147 30 50 EEEA CCOCC/N=C(/O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2 328647193 TUSNGEHDEDFXKW-INIZCTEOSA-N 334.464 2.429 30 50 EEEA CC[C@@H]1C[C@H]1CNC(=O)N1CCCN(c2ncccc2C#N)CC1 1776002698 QRFVILAMWOFTKF-ZBFHGGJFSA-N 327.432 2.221 30 50 EEEA C#CCCC1(CCNC(=O)c2cc(N3CCNC3=O)ccc2F)N=N1 2325891176 VMTRBJFEKOSLDF-UHFFFAOYSA-N 343.362 2.051 30 50 EEEA Cc1cc(=O)oc2cc(OC(=O)c3ccc(N=C(N)N)cc3)ccc12 6069641 AHAAYVQLZJYEOX-UHFFFAOYSA-N 337.335 2.226 30 50 EEEA biogenic CCc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2 20255687 AJXCWDVJCAMSCX-UHFFFAOYSA-N 344.459 2.111 30 50 EEEA COc1cccc([C@H]2C[C@H](O)CN2C(=O)Cc2ccc(C#N)cc2)c1 282479714 LWANETNFTHZVHW-PKOBYXMFSA-N 336.391 2.444 30 50 EEEA O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1 229944043 FEIFNQZDWYBITD-BNBCZPSXSA-N 325.324 2.126 30 50 EEEA N#Cc1cccnc1N1CCC(NC(=O)[C@@H]2Cc3ccccc3O2)CC1 223745422 UKJMHPCGVSTGLI-SFHVURJKSA-N 348.406 2.042 30 50 EEEA C=CCc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)NC)cc(OC)c1OC 765840385 WIEYINBTXXRRIZ-CABCVRRESA-N 346.427 2.077 30 50 EEEA O=S(=O)(N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1 197749 KLXDNWLGFVGXGL-LICLKQGHSA-N 348.449 2.493 30 50 EEEA N#CCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2 5975901 FWECHBRSTMTPDY-UHFFFAOYSA-N 347.440 2.342 30 50 EEEA CCc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)cc1 13113980 XEBAWXGFSNHYFQ-UHFFFAOYSA-N 346.390 2.202 30 50 EEEA CC(C)CN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CCC1=O 14993388 SWKJSJHTJXLBFU-UHFFFAOYSA-N 342.483 2.499 30 50 EEEA N#C[C@@H]1CN(Cc2cc(C(N)=O)cs2)CCN1Cc1ccccc1 245507356 PVQCWGNMPUHVQY-MRXNPFEDSA-N 340.452 2.057 30 50 EEEA N#CCCCn1cc(C(=O)N2CC[C@H](CC(N)=O)C2)c2ccccc21 377191399 RGHMPKAQKMUKMT-CQSZACIVSA-N 338.411 2.283 30 50 EEEA C[C@H](C#N)CN(C)C(=O)[C@]1(C)CC[C@]1(C)C(=O)N(C)C[C@@H](C)C#N 888095798 YJSLLSJCMYPGRG-PURYLZLUSA-N 332.448 2.029 30 50 EEEA Cc1nc(CN(C)[C@H]2CCCN(C(O)=Nc3cccnc3)CC2)no1 328621478 ANNJREPNAOVFTN-HNNXBMFYSA-N 344.419 2.305 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NCCOc2ccccc2F)o1 828166490 OVHAELHDONMGEL-UHFFFAOYSA-N 331.343 2.350 30 50 EEEA COCCC1(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 268447959 OQRGXYOQJYBBII-UHFFFAOYSA-N 341.455 2.409 30 50 EEEA C#CCCCS(=O)(=O)Nc1c(Cl)nn(C)c1C(F)(F)F 1875275095 XBTJATYLVOKKMX-UHFFFAOYSA-N 329.731 2.247 30 50 EEEA C#CCCC1(CCC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)N=N1 2325892198 DPJNVUORGGRWTF-MRXNPFEDSA-N 343.431 2.048 30 50 EEEA COC(=O)c1cccc(CNC(=O)Cn2c(C#N)nc3ccccc32)c1 8782699 SBKOEJVTNJTYPH-UHFFFAOYSA-N 348.362 2.011 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(F)cc1 13152755 OWWUNWWEYSRQAA-BCQZVRRWSA-N 331.343 2.081 30 50 EEEA CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccnc1 79051 FKXMLLYKADPKNS-GFCCVEGCSA-N 340.408 2.451 30 50 EEEA CN(Cc1cc(C#N)n(C)c1)C[C@@H]1CCCN(C)[C@H]1c1cncn1C 886038086 GCPLHZUHQYUQMV-QFBILLFUSA-N 340.475 2.145 30 50 EEEA C/C(=N\N=C1/NC(=O)[C@H](CC(=O)O)S1)c1ccc(Cl)cc1 12343031 VYKAUZXSJNDTEF-NPVNMOQSSA-N 325.777 2.126 30 50 EEEA C=CC(C)(C)OC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 12381805 SOFNLLORXHVROU-KRWDZBQOSA-N 334.460 2.159 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc(F)cc1 101348032 OWWUNWWEYSRQAA-LYSGOOTNSA-N 331.343 2.081 30 50 EEEA COc1cc(C#N)ccc1OCCN1CC[C@H](c2nc(C)no2)C1 346239859 LAFLLGTVAUFHEL-AWEZNQCLSA-N 328.372 2.127 30 50 EEEA COc1ccc(C(C)=NNc2nnc(SCC#N)[nH]2)c(OC)c1 253470687 IDJUFFVJVXWFCY-UHFFFAOYSA-N 332.389 2.274 30 50 EEEA Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 191242043 HRPDICNFHHRXMJ-MRXNPFEDSA-N 337.427 2.451 30 50 EEEA C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1 656717693 NMSJSTMPYNIXAA-ZDUSSCGKSA-N 339.413 2.127 30 50 EEEA C=C[C@@H](C)ONC(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 854219415 OSPFWVJKUNQOKD-AGIUHOORSA-N 325.409 2.286 30 50 EEEA N#Cc1cccc(N[C@H]2CCN(C(=O)[C@]3(C(=O)O)CC=CCC3)C2)c1 1875267388 VUWLOEILMRRFIO-LPHOPBHVSA-N 339.395 2.382 30 50 EEEA N#Cc1cnn2c(O)cc(CN3CCC[C@H]([C@@H]4CC4(F)F)C3)nc12 2325797381 MCVWXPJEJPIEPF-GWCFXTLKSA-N 333.342 2.174 30 50 EEEA COCc1ccccc1/C(O)=N/[C@@H]1CCCN(c2nccnc2O)C1 328625307 CYUFDXMXKZUTMA-CQSZACIVSA-N 342.399 2.302 30 50 EEEA Cc1onc(CC(=O)N2CCN([C@@H](C)c3ccsc3)CC2)c1C#N 331828370 JFRFGOYCOYEYDC-LBPRGKRZSA-N 344.440 2.364 30 50 EEEA COc1nccc(N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)c1C#N 91932229 ZSYLNGGLOJUNJW-LJQANCHMSA-N 340.427 2.191 30 50 EEEA COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1 170596696 XOUKYBJYCKDWTH-UHFFFAOYSA-N 332.337 2.066 30 50 EEEA C=CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(OC)cc1 6700015 HFAWTOHEXACQHL-LLVKDONJSA-N 348.428 2.190 30 50 EEEA N#Cc1cccnc1N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 230203986 TUGSMLZUALDGEF-HZPDHXFCSA-N 336.395 2.389 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCCCC[C@H]1C(=O)O 292330714 CPZVYTTVFQJXRL-KGLIPLIRSA-N 336.413 2.179 30 50 EEEA Cc1cccc(C(=O)NCN2CCN(c3ccccc3C#N)CC2)c1 25758996 DNULYRGWTFLJQL-UHFFFAOYSA-N 334.423 2.376 30 50 EEEA biogenic,in-vivo C=CCN1CC2(CCC1=O)CCN(S(=O)(=O)[C@H](C)CC)CC2 91663165 UCJXGSOPKQOONU-CQSZACIVSA-N 328.478 2.005 30 50 EEEA N#Cc1cc(N2CCCC[C@@H]2CC(N)=O)nc2ccc([N+](=O)[O-])cc12 170604238 QVZGYQFGZWWKQH-GFCCVEGCSA-N 339.355 2.249 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNC(=O)c1cccc(C#N)c1 888078629 DQHWSLUIWBYZKK-AEFFLSMTSA-N 338.411 2.416 30 50 EEEA COC(=O)c1cc(NC(=O)C#Cc2ccccc2)cc(C(=O)OC)c1 6725827 MUDAROPFUMXUBK-UHFFFAOYSA-N 337.331 2.250 30 50 EEEA CC(C)N1CCN(Cc2ccc(C#CC(C)(C)O)cc2)C[C@H]1CCO 106898745 YRTRVVOUPZVYFC-HXUWFJFHSA-N 344.499 2.086 30 50 EEEA N#CC1(NC(=O)CN2CC[C@](O)(c3ccc(F)cc3)C2)CCCCC1 374857324 NPCBEAYUSMXTAK-LJQANCHMSA-N 345.418 2.062 30 50 EEEA C=C(C)COCCNC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 450138093 XPGUQJNPEYODFP-MRXNPFEDSA-N 340.427 2.216 30 50 EEEA COc1nccc(N2CCCn3nc([C@@H](O)C4CC4)cc3C2)c1C#N 222874649 XLGFGXWVUGDXAM-KRWDZBQOSA-N 339.399 2.012 30 50 EEEA CN(C)c1ncc2c(n1)CCC[C@H]2NCc1cc(C#CCO)cs1 15065607 ZJALSDHLODSSBB-MRXNPFEDSA-N 342.468 2.115 30 50 EEEA N#Cc1cccc(N[C@@H]2CCN(C(=O)[C@]3(C(=O)O)CC=CCC3)C2)c1 1875267387 VUWLOEILMRRFIO-APWZRJJASA-N 339.395 2.382 30 50 EEEA C=CCn1c(N)cc(=O)nc1S[C@H](C)C(=O)Nc1ccc(C)cc1 472534 NZDVNTRLDKNYCP-GFCCVEGCSA-N 344.440 2.439 30 50 EEEA Cc1cc(F)cc2[nH]c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc12 369463995 BNPZODAXJLOLQH-CQSZACIVSA-N 326.375 2.428 30 50 EEEA N#CCOc1ccccc1C(=O)N1CC[C@H](OCc2ccncc2)C1 377743914 QHVOJVUQNYPVTH-INIZCTEOSA-N 337.379 2.415 30 50 EEEA CN(CCC#N)C(=O)CCN1CCO[C@H](c2ccc(Cl)cc2)C1 131201306 JGLHGYASOUDJJT-INIZCTEOSA-N 335.835 2.475 30 50 EEEA CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(-c2ncccc2C#N)cc1 426545204 ZVGMPKJGSGBWGS-CYBMUJFWSA-N 336.395 2.217 30 50 EEEA CCN(CCC#N)C(=O)CN1CCC[C@H]1c1nc2c(n1C)CCCC2 275567003 FDRVODTXJKWODV-KRWDZBQOSA-N 343.475 2.198 30 50 EEEA C=C(C)COc1cccc(NC(=O)NCc2nnc(S)n2C)c1 170652443 KTTBSBGKWZIKQW-UHFFFAOYSA-N 333.417 2.380 30 50 EEEA C[C@H](C(O)=Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2OCCN(C)[C@H]2C1 329917825 FRPZLVGMSWHNJN-RLCCDNCMSA-N 348.834 2.203 30 50 EEEA O=C(N[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)[C@H]1CO1 1875372417 FSQATRZDETZCET-SUMWQHHRSA-N 338.363 2.099 30 50 EEEA C#CCCC1(CCNC(=O)COC2(c3ccccc3)COC2)N=N1 2325899867 BHQMYWBXHLBRJD-UHFFFAOYSA-N 327.384 2.011 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccc(F)cc1 101348028 OWWUNWWEYSRQAA-FMSQNYNMSA-N 331.343 2.081 30 50 EEEA N#Cc1ccc(C2(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 328587667 DXCMUNIFFQPLMQ-UHFFFAOYSA-N 330.351 2.409 30 50 EEEA Cc1nsc(NC(=O)NCc2cccnc2-n2cccn2)c1C#N 253424495 GZHSMYGLEPJKPY-UHFFFAOYSA-N 339.384 2.226 30 50 EEEA C=CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 12744747 WSSPAUBMPHLAKB-UHFFFAOYSA-N 328.412 2.382 30 50 EEEA COCCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)c(C)c1 299782227 SKOXMPXQWRPEPM-CQSZACIVSA-N 344.415 2.139 30 50 EEEA N#CCCCS(=O)(=O)NC(=O)c1cc2cccc(Cl)c2o1 170602968 IVVWVCHVXPRQOT-UHFFFAOYSA-N 326.761 2.450 30 50 EEEA Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/n2cnnc2)cc1 52153 SPZUWGYEIPHBHM-VXLYETTFSA-N 341.396 2.270 30 50 EEEA CC(C)N1CCCN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC1 1506406118 ZFJLETLCGDAOAK-UHFFFAOYSA-N 328.456 2.365 30 50 EEEA Cc1nn(-c2ccccn2)c(C)c1CN1CCN(C2CC2)[C@H](C#N)C1 374898628 BMXNCLMWJIZCTE-QGZVFWFLSA-N 336.443 2.056 30 50 EEEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Cl)s1 160936350 SPTNGAANENXGRV-SNVBAGLBSA-N 347.831 2.414 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H](N3CCCC3=O)CC2)N=N1 952882294 UGFLQSJKLATREX-HNNXBMFYSA-N 330.432 2.346 30 50 EEEA Cc1ccc(S(=O)(=O)N/N=C/c2cccc3c2OCCO3)cc1 4701845 VJORNFGTQMJRIO-GZTJUZNOSA-N 332.381 2.079 30 50 EEEA CCNC(=O)c1cccnc1N1CCN(c2ccccc2C#N)CC1 32523794 SWOMVRYCFVXEJB-UHFFFAOYSA-N 335.411 2.030 30 50 EEEA CCn1cc(CN2CCC([C@H](C)N3CCOCC3)CC2)cc1C#N 72438223 KXPYPGHXNUZYEN-INIZCTEOSA-N 330.476 2.312 30 50 EEEA C=C(C)COc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3[C@H]2N(C)C)c1 1074628251 QDHIAFJSDJSPRF-MHORFTMASA-N 330.428 2.089 30 50 EEEA C=C(C)CN(C)C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 12003281 AEEHVLDWDUDUFK-GOSISDBHSA-N 338.398 2.326 30 50 EEEA N#Cc1sccc1S(=O)(=O)N1CCCC[C@@H]1c1ncccn1 952993023 AENIGQRTTBQLGD-LLVKDONJSA-N 334.426 2.326 30 50 EEEA COC1(OC)[C@H](C=Cc2ccccc2)C(C#N)(C#N)C1(OC)OC 1857795394 NXUPXBDUVJSWJJ-OAHLLOKOSA-N 328.368 2.341 30 50 EEEA C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 121874346 ZPMKGRLDKAMYCX-LPHOPBHVSA-N 335.492 2.364 30 50 EEEA C=CCNC(=O)[C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1 15074342 HLERGTQFAYACJS-SFHVURJKSA-N 342.487 2.060 30 50 EEEA C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 337725757 MDXJGUMZLUFRPA-XJKSGUPXSA-N 338.411 2.342 30 50 EEEA COc1ccc(Br)c(S(=O)(=O)N(C)[C@@H](C)CC#N)c1 267086131 TXRGINMTOANTJT-VIFPVBQESA-N 347.234 2.380 30 50 EEEA C#CCCC1(CCC(=O)NC2CCN(C3CCN(C)CC3)CC2)N=N1 952880953 JAIFDJAFLZCUPV-UHFFFAOYSA-N 345.491 2.017 30 50 EEEA C[C@H]1CC[C@H](CS(=O)(=O)N2CCC(c3ccc(C#N)cn3)CC2)O1 1875297691 AMBACLNPNZBAJS-XJKSGUPXSA-N 349.456 2.030 30 50 EEEA C#CCCC1(CCC(=O)NCCOc2ccccc2NC(C)=O)N=N1 2325892800 FJEUMDPHEPIOBL-UHFFFAOYSA-N 342.399 2.496 30 50 EEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1cnc(C#N)cn1 328623167 IZAHFXYWTBPZSV-SNVBAGLBSA-N 336.321 2.262 30 50 EEEA Cc1ccc(C)c(C/C(O)=N/C2CCN([C@H]3CCN(C)C3=O)CC2)c1 329158552 DMYDINGDPQSFMA-SFHVURJKSA-N 343.471 2.498 30 50 EEEA CC(C)C[C@@H](C/N=C(/O)Nc1cccc2c1OCO2)N1CCOCC1 329485257 XBNDFFUWTGXIQC-AWEZNQCLSA-N 349.431 2.488 30 50 EEEA C=CC[C@H]1N(S(=O)(=O)c2cnn3c2OCCC3)CCCC1(C)C 333237866 ZMHGZHWAOFSYKS-CQSZACIVSA-N 339.461 2.421 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@]1(C)CCCCO1)CC2 91695331 YASVNRGERXUEQX-GOSISDBHSA-N 334.460 2.363 30 50 EEEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3ccc(Cl)c(Cl)c3)[C@H]2C1 334158653 ZKIMDSJVNKXMKF-UWVGGRQHSA-P 338.261 2.411 30 50 EEEA Cn1cnnc1[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 296614594 UHVYHPDPNOGTDU-SNVBAGLBSA-N 347.220 2.228 30 50 EEEA N#C[C@]1(NC(=O)c2ccc3c(c2)OCC(=O)N3)CCc2ccccc2C1 186898965 QCUHYDYMCKLTAJ-FQEVSTJZSA-N 347.374 2.199 30 50 EEEA N#Cc1ccc(OCC(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)cc1 261952352 WMGJTAWMLLUYSO-IMJJTQAJSA-N 328.368 2.181 30 50 EEEA COc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1OC 100562616 QHYKMHZQTJPIAB-XSFVSMFZSA-N 326.400 2.255 30 50 EEEA Cc1cnn([C@@H]2CCN(/C(O)=N/C[C@H]3CCCCN3C3CC3)C2)c1 329536953 BHSXXJNFUJOMOC-IAGOWNOFSA-N 331.464 2.369 30 50 EEEA N#Cc1ccc(OCC(=O)NC(=O)NCc2cccs2)c(F)c1 127532761 BCKQIUOUNXMRRX-UHFFFAOYSA-N 333.344 2.164 30 50 EEEA O=C([C@@H]1CO1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 1875372815 NAZOXBAECXXDLB-HNNXBMFYSA-N 333.338 2.460 30 50 EEEA O=C(O)c1c(C(F)(F)C(F)(F)F)[nH]c(C(F)(F)F)nc1=O 100047527 NHAGJOQHYLFTGT-UHFFFAOYSA-N 326.099 2.141 30 50 EEEA COc1ccc(N=C(O)N2CCOC[C@H]2c2nnc(C(C)C)o2)cn1 328629188 OPDCNQXPWRKDBB-LBPRGKRZSA-N 347.375 2.216 30 50 EEEA C#CCOCCC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 151862859 NKYDKTSZRRZFNO-UHFFFAOYSA-N 349.390 2.263 30 50 EEEA Cc1ccc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)c(O)c1 77457517 QPOBKIHIIGPWAS-AWEZNQCLSA-N 349.390 2.450 30 50 EEEA N#CCCCNS(=O)(=O)Cc1ccc(Br)c(F)c1 451389579 VBEYCKZITZNYQG-UHFFFAOYSA-N 335.198 2.311 30 50 EEEA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1CCOc1ccccc1C#N 284693376 FXUKXLQWZGQUJP-YQVWRLOYSA-N 330.428 2.453 30 50 EEEA N#Cc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 55566643 OGUMGFWNXDAFFE-UHFFFAOYSA-N 338.386 2.458 30 50 EEEA COC(=O)[C@H](C#N)C(=C1C(=O)CC(C)(C)CC1=O)c1ccc(O)cc1 32885 LJIDEIIKTAZZTL-CYBMUJFWSA-N 341.363 2.417 30 50 EEEA C#CCCC1(CCNC(=O)[C@@]2(C(=O)O)C[C@@H]2c2ccccc2)N=N1 2325900990 PNYDGDRLNYMSSN-RDTXWAMCSA-N 325.368 2.327 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H](c3ocnc3C(=O)O)C2)N=N1 2325901071 SJJDOQFWGAJIER-LBPRGKRZSA-N 344.371 2.435 30 50 EEEA N#Cc1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCCC2 1423503 WPEOJMNWDLHNDM-UHFFFAOYSA-N 331.357 2.242 30 50 EEEA N#Cc1c(N)nc2c(c1-c1cnc(-c3ccco3)nc1)C[C@@H](N)CC2 71479563 YGYPNUZAXHTDII-NSHDSACASA-N 332.367 2.068 30 50 EEEA Cc1csc(CCN2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)n1 218462680 NRRSCGXVVPUIRM-UHFFFAOYSA-N 339.424 2.083 30 50 EEEA N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cc1Cl 176529359 LDZAXLLLNYQGFV-UHFFFAOYSA-N 333.760 2.284 30 50 EEEA Cc1cnccc1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 188279238 VZMPLUMWJRHVRS-LJQANCHMSA-N 349.438 2.310 30 50 EEEA N#C[C@]12C(=N)N=C(O)[C@@]1(C#N)[C@@H]2C(=O)c1ccc(Br)cc1 207739429 OADMINUTWYYZFK-DDTOSNHZSA-N 343.140 2.229 30 50 EEEA C=CCn1c(=O)c2c(nc3n(C4CCCC4)c(C)c(C)n23)n(C)c1=O 4945211 VABQTYPPAPNDRU-UHFFFAOYSA-N 341.415 2.067 30 50 EEEA CNC(=O)CCN(C)c1c(C#N)cnc2c(Br)cccc12 252480942 CGOOGOYXFCBTPG-UHFFFAOYSA-N 347.216 2.441 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)N=N1 952879817 BFMDQFIWHKIOQX-DZGCQCFKSA-N 329.404 2.112 30 50 EEEA C=CCOCC(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952891435 DRUVZNXFIJCPAI-UHFFFAOYSA-N 331.347 2.178 30 50 EEEA C#CCOCCOC(=O)Nc1c(C(=O)OC)n(C)c2ccccc12 1875289534 ZBWVCTAQMVKCDN-UHFFFAOYSA-N 330.340 2.163 30 50 EEEA C[C@@H](NC(=O)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 1875328298 KIWDKTATNNNNNK-GFCCVEGCSA-N 329.381 2.307 30 50 EEEA Cc1ccnc(C#N)c1NCC1(S(=O)(=O)NC(C)(C)C)CCC1 2325775481 VJGLNTQNLVQOEP-UHFFFAOYSA-N 336.461 2.314 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc(N3CCNC3=O)c(C)c2)N=N1 2325887456 TXDMBGZEHIZJGX-UHFFFAOYSA-N 339.399 2.220 30 50 EEEA C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 6251 NFEZZTICAUWDHU-RDTXWAMCSA-N 348.397 2.485 30 50 EEEA fda CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 230252502 YNEUWSMYRIQQJX-MSOLQXFVSA-N 327.428 2.160 30 50 EEEA C[C@H](OC[C@H]1CCCO1)/C(O)=N/[C@H]1CCCO[C@@H]1c1nccn1C 330337389 TZJPYYKNXWLJHD-XGUBFFRZSA-N 337.420 2.181 30 50 EEEA C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccc(C#N)cc2)C[C@@H](C)O1 194874922 OOZRGKDTKFKZHL-MDZRGWNJSA-N 341.455 2.201 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)c2c(OC)cccc2OC)cc1 13800686 SFIRJBSBDKYHFA-UHFFFAOYSA-N 330.340 2.190 30 50 EEEA biogenic N#Cc1ccccc1CN1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857720562 ZVQXMPPMIHHGAO-PLACYPQZSA-N 334.419 2.127 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)N=N1 2325892623 UOCYBMXMKLAVMA-JTQLQIEISA-N 334.401 2.463 30 50 EEEA C=CCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1808080 CESQTJPGKLYFRA-QGZVFWFLSA-N 334.375 2.196 30 50 EEEA N#Cc1cc2n(n1)CCCN(CCC(=O)N1CCCc3ccccc31)C2 65427501 NAOPNESOMAHBAC-UHFFFAOYSA-N 349.438 2.330 30 50 EEEA N#Cc1cc2c(nc1NC[C@@]1(N3CCOCC3)CCSC1)CCC2 364649670 FWZYRYQCMXYTLQ-SFHVURJKSA-N 344.484 2.062 30 50 EEEA Cc1ccc(S(=O)(=O)OC2CN(C(=O)OC(C)(C)C)C2)cc1 77031481 RIOKPEBUTRGTEA-UHFFFAOYSA-N 327.402 2.320 30 50 EEEA OCC#Cc1csc(CN2CCCN(Cc3ccncc3)CC2)c1 216274286 FHYHVOBQHVRPFZ-UHFFFAOYSA-N 341.480 2.195 30 50 EEEA C=CC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C)C(=O)O 274959298 USKPZJJINHAJSY-JTQLQIEISA-N 337.319 2.321 30 50 EEEA C=CCN(CC(=O)O)S(=O)(=O)c1cc2cc(F)ccc2s1 1875262956 YEYSXPRNEXLMAI-UHFFFAOYSA-N 329.374 2.302 30 50 EEEA Cc1c(Cl)cnc(N[C@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)c1C#N 888095319 PANMSBOKSPLYCJ-GUTXKFCHSA-N 334.807 2.153 30 50 EEEA CCOC(=O)[C@@H]1CCCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])C1 4629006 UADLWYIKOJVFCT-LLVKDONJSA-N 328.328 2.118 30 50 EEEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C12CC2 105209322 MDGVFZYSSMDXTB-ORHQUURESA-N 337.335 2.126 30 50 EEEA N#Cc1ccc(C(=O)N[C@H]2C[C@@H](c3cc(N4CCCC4)ncn3)C2)cn1 218461741 SBIXOLQCMLXCHT-KOMQPUFPSA-N 348.410 2.019 30 50 EEEA COC(=O)c1cc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)c(C)o1 71776458 BABAVNNUMBPFTE-JTQLQIEISA-N 327.340 2.394 30 50 EEEA CN(C)c1ccnc(N=C(O)N2CCC[C@@H]2C[C@H](O)c2ccco2)n1 328587585 CDTOSYWQPRBDCJ-OLZOCXBDSA-N 345.403 2.269 30 50 EEEA N#CC1(NC(=O)CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)CCCCC1 331536621 FYJCXDPXLCQLAQ-IRXDYDNUSA-N 345.418 2.276 30 50 EEEA COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O 331612772 NLFXGDZTBOGFOF-BZUAXINKSA-N 344.411 2.098 30 50 EEEA N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3cc(N4CCCC4)ncn3)C2)cn1 223648575 SBIXOLQCMLXCHT-FZNQNYSPSA-N 348.410 2.019 30 50 EEEA COc1ccccc1-c1c(C#N)c(N)nc2c1c(=O)nc1sccn12 19933096 QAXNPILRDCAGLN-UHFFFAOYSA-N 349.375 2.434 30 50 EEEA O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] 170591172 RKCHZFQKNQWCHC-QWWZWVQMSA-N 345.142 2.366 30 50 EEEA Cc1[nH]ncc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 195397966 ZORROUBKZMXKMZ-UHFFFAOYSA-N 346.394 2.100 30 50 EEEA CC1(C)CN(/C(O)=N/[C@@H]2CCOC3(CCC3)C2)C[C@@]2(CCOC2)O1 329940100 BKCXCNWWVOSSBD-RDTXWAMCSA-N 338.448 2.272 30 50 EEEA Cn1ncc(N2CCC(Oc3cccc(C#N)c3)CC2)c(Cl)c1=O 264080285 HQRWYYCDFHAUHA-UHFFFAOYSA-N 344.802 2.353 30 50 EEEA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc(C#N)[nH]c2C)C3)o1 952887116 XQDZSVVUDUBXJD-SGTLLEGYSA-N 339.399 2.334 30 50 EEEA N#Cc1ccc(N2CCN(c3ccc4ccccc4n3)CC2)nc1N 2325873855 WOACMOLJPITSDX-UHFFFAOYSA-N 330.395 2.410 30 50 EEEA CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 129019995 BMAVBOPNXWUWEX-LBPRGKRZSA-N 335.212 2.297 30 50 EEEA Cc1ncc2c(n1)[C@]1(CCCN(C(=O)c3ccc(C#N)nc3)C1)CC2 2356156183 VLGWAQQLKIEIMB-LJQANCHMSA-N 333.395 2.172 30 50 EEEA O/C(=N/[C@H]1CCCN(c2nccnc2O)C1)c1cccc2c[nH]nc12 328623954 CEPCFYLPZUJYSL-LBPRGKRZSA-N 338.371 2.032 30 50 EEEA N#Cc1cccc([C@H]2CN(C(=O)C(F)(F)C3(O)CCC3)CCO2)c1 371274159 CPNZZCLLOJLZMD-CQSZACIVSA-N 336.338 2.008 30 50 EEEA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2ccc(C#N)c(C)n2)c1 282650511 XQUBIUTZTRHVPE-YJBOKZPZSA-N 337.379 2.218 30 50 EEEA N#Cc1c[nH]c(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)c1 299797155 PVPVHYDNVKXWOI-UHFFFAOYSA-N 334.423 2.202 30 50 EEEA N#Cc1cccc(CN2CCC(C[C@H]3OCC[C@H]3C(N)=O)CC2)c1 952889800 GLFPNYXDSROMDA-QZTJIDSGSA-N 327.428 2.051 30 50 EEEA N#Cc1cccc(S(=O)(=O)N2CC[C@@]3(CCOC3)C2)c1Cl 952992225 BNUGEOPCGITKQG-CQSZACIVSA-N 326.805 2.013 30 50 EEEA C[C@@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1875297859 GJYXKBKAVFRUPU-IJEWVQPXSA-N 349.456 2.172 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc([N+](=O)[O-])cc1 283312 DYSKBOCYGXONHA-HNNXBMFYSA-N 339.307 2.479 30 50 EEEA CCn1nccc1[C@@H]1OCC[C@H]1CN=c1cc(C)[nH]c(C)c1C#N 328622594 IMWBUGLKPTWPOQ-KBXCAEBGSA-N 325.416 2.398 30 50 EEEA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1ccc(Cl)c(C#N)n1 281479792 NBSQWKTXXAFPMH-RYUDHWBXSA-N 346.797 2.450 30 50 EEEA N#C[C@H]1CN(C(=O)C2(Cc3ccccc3F)CC2)CCN1C1CC1 377025548 BSQSVDORCLHNHN-INIZCTEOSA-N 327.403 2.347 30 50 EEEA CN(Cc1nccs1)[C@@H]1CC12CCN(c1nccnc1C#N)CC2 275879929 YRVIQUVJULVJQD-CQSZACIVSA-N 340.456 2.296 30 50 EEEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCC(OC(=O)N(C)C)CC1 496453085 KBFJIDZKVWZRDQ-ZDUSSCGKSA-N 345.399 2.015 30 50 EEEA Cc1nc(C)n(C[C@@H]2CCCN(c3ccc(C#N)cc3CO)C2)n1 874435455 SYRMRXNHPVYVMV-MRXNPFEDSA-N 325.416 2.176 30 50 EEEA N#C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-n2cnnn2)c(F)c1 1875280748 LCPIAGUVLRXOBV-GWCFXTLKSA-N 329.339 2.005 30 50 EEEA Cc1ccc(CN2CCN(C(=O)c3ccc(C#N)nc3)[C@H](C)C2=O)cc1 55341436 UQLPLLMSQCKRFQ-OAHLLOKOSA-N 348.406 2.135 30 50 EEEA Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)N(C)C[C@H](C)C#N)CCC2 253397658 JRTJIMNIUFLGKF-MFKMUULPSA-N 342.490 2.097 30 50 EEEA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COCC(=O)Nc1ccc(C#N)cc1 245253907 RLYPQFNJRZEZOM-JKIFEVAISA-N 343.427 2.454 30 50 EEEA C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@]3(O)[C@H]1CC[C@H]2C(=O)CO 257346371 YWRPKJIIPJSLLJ-CCEQCLNRSA-N 332.440 2.421 30 50 EEEA COCC1(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)CCC1 1565516255 LYMZDXVAVWRBRX-IRXDYDNUSA-N 344.411 2.027 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2CC(=O)c3cc(F)ccc3O2)N=N1 2325891548 NPZWVHTZRJKQSY-HNNXBMFYSA-N 329.331 2.241 30 50 EEEA C#CCCC1(CCNC(=O)CCn2nc(O)c3ccccc32)N=N1 2325900281 SDTHPDIMDHXDHH-UHFFFAOYSA-N 325.372 2.214 30 50 EEEA CN(OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([N+](=O)[O-])cc1 2164952 HRPMGHDKSVFOSV-UHFFFAOYSA-N 345.267 2.347 30 50 EEEA C#CCOc1cc(Br)c(CNC(C)(C)CO)cc1OC 4838489 UMBPHWUDLILDHT-UHFFFAOYSA-N 342.233 2.330 30 50 EEEA C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 225754379 MLXKYYAGVMJGKL-QWRGUYRKSA-N 341.399 2.376 30 50 EEEA O=C(O)[C@H](c1ccccc1)N1CC[C@@H](/N=C(/O)CC(F)(F)F)C1=O 328588618 KUWHVJUPGMPFRQ-PWSUYJOCSA-N 344.289 2.322 30 50 EEEA COCc1nc([C@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2C2CC2)n[nH]1 952851450 ZYKGBHHIVNDHJD-SJORKVTESA-N 337.427 2.448 30 50 EEEA N#C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(-n2cnnn2)c(F)c1 1875280751 LCPIAGUVLRXOBV-ZWNOBZJWSA-N 329.339 2.005 30 50 EEEA Cc1nc(C#N)c(N(C)S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)o1 1775992594 UJRRVFJNLXVBJM-SNVBAGLBSA-N 338.216 2.205 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@H](OCCN3CCCCC3)C2)N=N1 2325892432 NGPAAPDNFATMLM-KRWDZBQOSA-N 346.475 2.446 30 50 EEEA C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC2(CCOCC2)O1 365586792 PLXHTIFTIIKYJP-HNNXBMFYSA-N 328.412 2.287 30 50 EEEA C[C@H](OC[C@@H]1CCCO1)/C(O)=N/[C@H]1CCCO[C@@H]1c1nccn1C 330337388 TZJPYYKNXWLJHD-AJNGGQMLSA-N 337.420 2.181 30 50 EEEA C=CC[C@@H]1N(C(=O)CCC(=O)N2CCC(O)CC2)CCCC1(C)C 331306682 VTGOYFZMWHJRSF-INIZCTEOSA-N 336.476 2.343 30 50 EEEA CCOC(=O)[C@@H]1CCCCN1C(=O)COc1ccc(C#N)cc1F 239619489 BEXQEIBCSJHIMC-AWEZNQCLSA-N 334.347 2.020 30 50 EEEA CC#CC(=O)N1CCC[C@@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]21 199296850 CPCQAZCJNSODCT-WBVHZDCISA-N 328.387 2.302 30 50 EEEA C=CCN[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2CC)C1 14733016 NBJURGKWPPLQSG-AWEZNQCLSA-N 342.443 2.401 30 50 EEEA COc1cc(C#N)ccc1OCCN1CCCC[C@@H]1c1nc[nH]n1 121843191 XPZVHRPUPWMMBE-CQSZACIVSA-N 327.388 2.291 30 50 EEEA N#Cc1cnc2c(Cl)cccc2c1N1CCN2C(=O)OC[C@@H]2C1 496792584 QQXIZLGHOWJMKD-NSHDSACASA-N 328.759 2.401 30 50 EEEA C[C@H]1C[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(Cl)cc1C#N 280093548 WUOFHIAWDQKDMW-UWVGGRQHSA-N 342.804 2.085 30 50 EEEA C=CCNCC[C@H]1CCC(=O)N1CC1(N2CCOCC2)CCCCC1 14881826 BFBONMZXPHDZRU-GOSISDBHSA-N 349.519 2.178 30 50 EEEA N#Cc1cnc(N2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cn1 225648074 NNITXEGTMNGRTJ-FZKQIMNGSA-N 336.399 2.242 30 50 EEEA O/C(=N/[C@H](c1ccccc1)[C@@H]1CCOC1)c1cn([C@H]2CCOC2)nn1 330167076 VOHMAKDGGATGCS-HLLBOEOZSA-N 342.399 2.322 30 50 EEEA CCOC(=O)c1cn(Cc2ncc(Br)s2)nc1C#N 1875346698 LWHVQJXSWPFVSJ-UHFFFAOYSA-N 341.190 2.199 30 50 EEEA C#CCCC1(CCC(=O)NCCCn2nc(O)c3c2CCCC3)N=N1 2325899428 DLBDOBSUPXCPLM-UHFFFAOYSA-N 343.431 2.330 30 50 EEEA COC(=O)[C@H]1CC[C@H](C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 253426899 JBLZXCBCSJDJBV-NNFUDEMPSA-N 348.443 2.420 30 50 EEEA OC[C@@]1(F)CCN(/C(O)=N/Cc2coc(-c3cccs3)n2)C1 328712032 ROOKCMOQZIIQHW-CQSZACIVSA-N 325.365 2.223 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 369946091 PYDAVJOCPUKNBX-HNNXBMFYSA-N 337.427 2.449 30 50 EEEA N#Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2 91504253 JPBIXJQBQBBDBQ-GOEBONIOSA-N 333.395 2.089 30 50 EEEA CCOC[C@@H](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)C(C)C 194321349 RLNOOWVDCVKMSK-MRXNPFEDSA-N 348.447 2.248 30 50 EEEA C#CCCC1(CCC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)N=N1 2325886348 PQTOAGCDNGZUMM-MRXNPFEDSA-N 346.475 2.444 30 50 EEEA C#CCCC1(CCNC(=O)c2cc3c(cc2F)NC(=O)CC3)N=N1 2325891010 LUVFJCYNZNNUDC-UHFFFAOYSA-N 328.347 2.406 30 50 EEEA CCN(C)c1ccnc(N2CCN(Cc3cccc(C#N)c3)CC2)n1 67674726 MZYSQVILHCMMAW-UHFFFAOYSA-N 336.443 2.127 30 50 EEEA N#Cc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cn1 252485454 GVXUJPPAFCRRGU-UHFFFAOYSA-N 348.406 2.122 30 50 EEEA Cc1n[nH]c(N/N=C/c2ccccc2OCc2ccccc2)nc1=O 12341107 YYJCPSFTFRNESQ-YBFXNURJSA-N 335.367 2.498 30 50 EEEA Cc1c(Cl)c[nH]c(=NC[C@H]2CCO[C@@H]2c2cnn(C)c2)c1C#N 1857531086 CNXVRDKAKMBUSU-ABAIWWIYSA-N 331.807 2.260 30 50 EEEA C#CCO[C@H](C)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952891557 FWNYJKGRFXUYNL-GFCCVEGCSA-N 343.358 2.014 30 50 EEEA C[C@@H]1CN(S(=O)(=O)CCCC#N)C[C@@H](c2ccc(F)cc2)O1 110625704 QIEHDLGZMQKRHK-DOMZBBRYSA-N 326.393 2.221 30 50 EEEA C=CCn1nns/c1=N/CC(=O)c1ccc(Br)cc1 102265509 YZISOSCEPJZERK-WYMLVPIESA-N 339.218 2.072 30 50 EEEA CC(C)(O)C#Cc1ccc(-c2c(C#N)c(N)nc3c2COCC3)s1 71748460 AAXBQDZDBBPCIG-UHFFFAOYSA-N 339.420 2.459 30 50 EEEA C=CC[C@H]1N(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CCCC1(C)C 443866851 HGDMXVGFRVDPHZ-OAHLLOKOSA-N 342.443 2.467 30 50 EEEA C=CC[C@@]1(CO)CCCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 91364884 DQNPRLXSEWYUIN-LJQANCHMSA-N 334.435 2.435 30 50 EEEA O=C(C[n+]1c2n(c3ccccc31)C[C@H](O)CS2)c1ccccc1 13154759 PEFAWGUYHGUYEN-AWEZNQCLSA-N 325.413 2.278 30 50 EEEA CN(C)c1ccc(C(O)=Nc2cc([C@@H]3CCCOC3)nn2C)nc1 329833547 GLXNPFRMWXEWDB-GFCCVEGCSA-N 329.404 2.411 30 50 EEEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)[C@H]1CCCOC1 328653038 WSGFAVJKPDOOCK-AVGNSLFASA-N 327.425 2.439 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)[C@H]3CCc4ccccc43)CC2)nc1 215472087 CEIOTHAJBXAVKI-SFHVURJKSA-N 332.407 2.332 30 50 EEEA N#Cc1cnc(NCC2CCN(C[C@@H](O)c3ccccc3)CC2)cn1 123934724 ZSWGHBFJYUHXBE-GOSISDBHSA-N 337.427 2.206 30 50 EEEA OC(=Nc1cc2c(cc1Cl)OCCO2)N1CCn2cncc2C1 329858647 WEMOYYYKJXWGLC-UHFFFAOYSA-N 334.763 2.369 30 50 EEEA COc1nc(C)c(B2OC(C)(C)C(C)(C)O2)cc1Br 206197405 KKDZJTBAJRJYQC-UHFFFAOYSA-N 328.015 2.460 30 50 EEEA C[C@H]1C[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CO1 332214199 VVEZSMXOYXRKFR-CMPLNLGQSA-N 330.775 2.761 30 50 EEEA COC(=O)c1cc(C#N)ccc1SC[C@@H](C)CS(C)(=O)=O 1875266232 LSWAOECDJZGSEB-SNVBAGLBSA-N 327.427 2.118 30 50 EEEA COc1cnc(N=C(O)N2CCOC[C@@H]2[C@H]2CCC[C@H]2OC)s1 329232713 GFSOJGPIOBLJEX-IJLUTSLNSA-N 341.433 2.213 30 50 EEEA Cc1cc(O)nc2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc12 367961812 INYXNLFIKKEFDM-HNNXBMFYSA-N 336.395 2.061 30 50 EEEA C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CC[C@@]1(O)C1CCOCC1 91985903 AEOPFYDZRWYWCS-KUHUBIRLSA-N 328.412 2.198 30 50 EEEA CCc1nc(S[C@@H](C)C(=O)Nc2ccccc2)[nH]c(=O)c1C#N 5238992 JTAWONMYLQIUPA-JTQLQIEISA-N 328.397 2.323 30 50 EEEA COc1ccccc1C(C)(C)N/C(O)=N/[C@H]1CCCS(=O)(=O)C1 329358783 GHUUJFHUDAESDC-LBPRGKRZSA-N 340.445 2.011 30 50 EEEA COC(=O)[C@H]1C(=O)/C(=C\Nc2ccc(OC)cc2)C(=O)CC1(C)C 103694443 VBTRBPYMJUEVAN-VSKPTYQZSA-N 331.368 2.348 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1[nH]nc(CC)c1Br 281635538 XVHUACIYWNPUSU-TVQRCGJNSA-N 342.237 2.446 30 50 EEEA CCNC(=O)C1CN(c2cc(C)c(C#N)c3nc4ccccc4n23)C1 170652739 INXAODQTUPRSAA-UHFFFAOYSA-N 333.395 2.240 30 50 EEEA COc1nccc(N/C(O)=N/[C@@H](c2ccccc2)c2ccncc2)n1 328588942 UFTZULFVEDSHHC-INIZCTEOSA-N 335.367 2.996 30 50 EEEA CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ncc(C#N)cc2Cl)cn1 432817653 BFZARZLCQSIRDO-DZGCQCFKSA-N 345.790 2.083 30 50 EEEA N#Cc1cccc([C@@H]2CN(C(=O)c3cnc(N)c(Cl)c3)CCO2)c1 2325710818 LLBAZXYGCFZQTB-HNNXBMFYSA-N 342.786 2.403 30 50 EEEA C=C(C)COc1ccc(C(=O)N(C)Cc2nc(CCOC)no2)cc1 55255207 LCEJUQXPRWASFK-UHFFFAOYSA-N 345.399 2.486 30 50 EEEA N#Cc1c[nH]c(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 176071557 OTMBUTKDMJSWJX-UHFFFAOYSA-N 340.339 2.478 30 50 EEEA CC(C)[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCCO1 294149362 OUDZHEHPZYHKDW-OAHLLOKOSA-N 326.393 2.133 30 50 EEEA C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC[C@@H]1COC 952961188 USJHIVVHFCTULF-CQSZACIVSA-N 330.475 2.092 30 50 EEEA CCN(CC)CCO/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1 19300260 BBRIYINIFSNQLX-UHFFFAOYSA-N 334.825 2.301 30 50 EEEA Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3C=C[C@@H]4[C@H](O)[C@H]5C=C[C@@H]2[C@@H]5[C@@H]43)cc1 257359135 YOVMTSGKEVCVEO-VCLRDMGRSA-N 344.432 2.294 30 50 EEEA N#Cc1ccc(OC[C@H](O)CN2CCOc3cccc(F)c3C2)cc1 374502943 HPUKVWFQNOVNBY-OAHLLOKOSA-N 342.370 2.332 30 50 EEEA N#CC1(NC(=O)CN2CCC(Cc3cnc[nH]3)CC2)CCCCC1 1775985492 YEVQPJMATBNSEE-UHFFFAOYSA-N 329.448 2.007 30 50 EEEA C[C@]1(CO)COCCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 2325801027 RMPOKVSRGDNKIO-IBGZPJMESA-N 342.439 2.227 30 50 EEEA CO[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 376022685 UNCMQNYCSWFODA-GFCCVEGCSA-N 328.821 2.401 30 50 EEEA C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)c1ccccc1 182453718 UYPITJJFDOBULC-HNNXBMFYSA-N 335.411 2.132 30 50 EEEA C=CCCCS(=O)(=O)n1nc(O)c2cc(Br)cnc21 864090050 YPLKHFIHXTUODG-UHFFFAOYSA-N 346.206 2.044 30 50 EEEA CNC(=O)c1ccn([C@H]2CCCN(c3cccc(F)c3C#N)C2)n1 275653742 OKOVRGOCFIKRTG-LBPRGKRZSA-N 327.363 2.095 30 50 EEEA N#Cc1cc(Br)ccc1N[C@H]1CCCS(=O)(=O)C1 132103307 CDZSDNZHASXCJL-NSHDSACASA-N 329.219 2.310 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225685238 SWMGXOJRVRUQDE-JKSUJKDBSA-N 346.383 2.194 30 50 EEEA CN(C)c1n[nH]c(CNc2ccc(C#N)c(Br)c2F)n1 952876979 JRQNSTORFYZYJO-UHFFFAOYSA-N 339.172 2.256 30 50 EEEA C#CCCC1(CCNC(=O)Cc2csc(C[C@H]3CCCO3)n2)N=N1 2325901119 UQDABLHRFRDICI-CQSZACIVSA-N 346.456 2.489 30 50 EEEA CCOc1ccc(NC(=O)C[C@H]2S/C(=N/CC3CC3)NC2=O)cc1 887268689 RSPQNUFXXMNUSY-CQSZACIVSA-N 347.440 2.412 30 50 EEEA C#CCOc1c(Br)cc(CN[C@@H](CC)CO)cc1OC 2890543 PJSBGIDOOWNTTL-LBPRGKRZSA-N 342.233 2.330 30 50 EEEA N#Cc1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=N 100593668 GCRZDZKWKPIVGJ-UHFFFAOYSA-N 341.374 2.243 30 50 EEEA CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@H]1[C@@H]1CCCO1 292457899 YONWRTOQJSKWSB-GJZGRUSLSA-N 338.404 2.275 30 50 EEEA C[C@@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccc(C#N)nn1 1113607293 UNJHYZHJEINDJN-LBPRGKRZSA-N 343.818 2.185 30 50 EEEA Cc1cc(C#N)nc(N[C@@H]2C[C@H](Cn3cc(Cl)cn3)C[C@H]2O)c1 1875398739 CYLHPJSGQGCEOD-NILFDRSVSA-N 331.807 2.363 30 50 EEEA CC(=O)N1CCC[C@H](c2nnc(-c3ccc(C#N)c(C)n3)o2)[C@@H]1C 886084647 VDOZKSAYQTZKSV-FZMZJTMJSA-N 325.372 2.426 30 50 EEEA C#CCCC1(CCC(=O)N2C[C@@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)N=N1 2325893492 QVANLYHDCQVRNG-XHSDSOJGSA-N 342.443 2.202 30 50 EEEA C=CCc1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O 9096439 HYQOULFNXHMHDE-UHFFFAOYSA-N 328.391 2.273 30 50 EEEA Cc1cn2cc(CNC(=O)c3ccc(C#CC(C)(C)O)o3)nc2s1 65492338 IZBNXGYQMZQVHG-UHFFFAOYSA-N 343.408 2.350 30 50 EEEA COc1cc([C@H](C#N)NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)cc(OC)c1OC 252508070 XBWUOYXFDMJIEP-RLSLPTNOSA-N 348.399 2.207 30 50 EEEA C[C@H](Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1)C(=O)O 357071173 JMKAGZXNFFNOOP-LLVKDONJSA-N 345.380 2.017 30 50 EEEA CCn1ccnc(N2CCC(/N=C(/O)[C@@H](C)OCC3CC3)CC2)c1=O 328625458 DECZMCHCMIPPIA-CYBMUJFWSA-N 348.447 2.004 30 50 EEEA OC1=N[C@@]2(CCC[C@H]2C/N=C(/O)Cn2cc3ccccc3n2)C(O)=N1 330125387 COZUJEXEYVLCQN-YVEFUNNKSA-N 341.371 2.416 30 50 EEEA Cc1cc(C)c(S(=O)(=O)N/N=C/c2cccc(O)c2O)c(C)c1 17070462 HHXHXHKXNQHXKS-RQZCQDPDSA-N 334.397 2.335 30 50 EEEA COc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1C(=O)N(C)C 426571504 MZGASCDUQWWPEJ-LBPRGKRZSA-N 330.388 2.164 30 50 EEEA CCC#CCN1CCC[C@@H](CNC(=O)COc2cccc(F)c2)C1 822523051 NUCWCVUNCVAMJC-INIZCTEOSA-N 332.419 2.446 30 50 EEEA N#Cc1ccc(NC(=O)CN2CC[C@H](c3cnccn3)C2)cc1Cl 1460861966 ROQWLTKUJJPOGR-ZDUSSCGKSA-N 341.802 2.430 30 50 EEEA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2ccc(C#N)cc2)C1 886048340 NJDTYALMJRVOOD-FUHWJXTLSA-N 337.379 2.262 30 50 EEEA C#CCCC1(CCNC(=O)c2cc(C)c(OCC(=O)O)c(C)c2)N=N1 2325900953 ORMNBDGVIKYNDR-UHFFFAOYSA-N 343.383 2.462 30 50 EEEA CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)nn1C 373705 BAXAJRAPPPURAX-UHFFFAOYSA-N 344.396 2.271 30 50 EEEA CN(C)c1ccc(N[C@@H]2CCCN(c3cnc(C#N)cn3)CC2)cn1 328626618 FGOCMLZRSPXYKM-CQSZACIVSA-N 337.431 2.280 30 50 EEEA Cc1nn(C)c(C)c1-c1cc(-c2cnc(N(C)C)nc2)c(C#N)c(N)n1 71752008 NMOFJBFTJBSWFU-UHFFFAOYSA-N 348.414 2.076 30 50 EEEA CC(=O)N[C@@H]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 333687121 PJTIFWVSSOTYOZ-CQSZACIVSA-N 337.427 2.199 30 50 EEEA COc1cccc(-n2cc(CN(C)C(=O)c3cc(C#N)c[nH]3)cn2)c1 426589980 MZOKJPOLRLWEFC-UHFFFAOYSA-N 335.367 2.353 30 50 EEEA CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]3[C@H](CCCN3C)C2)c1 293386787 NYKRVCZCESJSTP-QAPCUYQASA-N 326.444 2.181 30 50 EEEA C=CC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C)C(=O)O 274959302 USKPZJJINHAJSY-SNVBAGLBSA-N 337.319 2.321 30 50 EEEA CC(C)(C)c1ccc(/C=N/N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1 5563024 JFDDJSKMDIURAZ-UWONZBIMSA-N 333.413 2.380 30 50 EEEA Cc1noc([C@H](/N=C(/O)c2ccn3cncc3c2)C2CCOCC2)n1 328614479 WGWWLRJJWJQDBR-OAHLLOKOSA-N 341.371 2.498 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(Cc2ccc(C#N)cc2F)C1 328621787 HXYHZBZXOIUVBE-QGZVFWFLSA-N 343.362 2.466 30 50 EEEA C=CCN(C)C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 496365107 RGPHFYCQCHYPAU-CYBMUJFWSA-N 349.435 2.108 30 50 EEEA CN1C[C@@H]2[C@@H](CCCN2Cc2cn(C)nc2-c2ccc(C#N)cc2)C1=O 284457390 ABQNNSZBVLPFSP-QZTJIDSGSA-N 349.438 2.011 30 50 EEEA COCCn1ccnc1[C@H]1CCCN(C(=O)c2ccccc2C#N)C1 95519293 RVXXUQREVXHKKT-INIZCTEOSA-N 338.411 2.421 30 50 EEEA C/N=C1\S[C@H](CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)N1C 12624254 VSHJUQWQJTVCPD-BXWLNTHASA-N 343.355 2.176 30 50 EEEA CC(C)/N=C(/O)CN1CCN(C(=O)c2cncc3ccccc23)CC1 328881229 LBVQDDNXONLSSA-UHFFFAOYSA-N 340.427 2.358 30 50 EEEA N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccco2)CC1 6669456 IHSPJDOLVSVABX-UHFFFAOYSA-N 338.323 2.362 30 50 EEEA COc1ccccc1N1CC[C@@H](CNC(=O)c2ccc(C#N)nc2)C1 115354512 GBJWNAAIUNCORO-AWEZNQCLSA-N 336.395 2.218 30 50 EEEA CC(C)c1nnc2ccc(N/C(O)=N/[C@@H]3CCc4n[nH]cc4C3)cn12 328588312 BRPLCTZWEFELOZ-GFCCVEGCSA-N 339.403 2.459 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2nc(C)ccc2C#N)C1 328613346 ROVFSLOWFLTRPS-INIZCTEOSA-N 326.360 2.035 30 50 EEEA COC(=O)c1cc(C#N)c(N[C@H]2CC(=O)N(CC(C)(C)C)C2)nc1C 72163266 KVOUJTVVTNSTML-ZDUSSCGKSA-N 344.415 2.107 30 50 EEEA C=CCc1cc(-c2nccn2C[C@H]2COCCO2)cc(OC)c1O 71754382 JFOFPAZLPKYMAL-HNNXBMFYSA-N 330.384 2.408 30 50 EEEA CN1CCO[C@H]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]21 285007018 MCUBTEIDSONIQF-CABCVRRESA-N 325.334 2.486 30 50 EEEA CCCCN1CCOB(c2ccccc2Br)OCC1 170013284 OLNVCXQNTXWSKY-UHFFFAOYSA-N 326.043 2.293 30 50 EEEA in-vitro C=CCc1ccc(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)c(OC)c1 19772719 KDUGLTZTMQVDGV-UXLLHSPISA-N 335.444 2.273 30 50 EEEA CC(C)Cn1ccnc1CNC(=O)NCCc1cccc(C#N)c1 252507951 WXYRMZUHWMJCRD-UHFFFAOYSA-N 325.416 2.453 30 50 EEEA Cc1cccc2c1OC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C2 368082185 SSJJZLBVJIXHMA-QGZVFWFLSA-N 342.420 2.290 30 50 EEEA N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 2325779439 DNTDBJWCGMNJEP-HNNXBMFYSA-N 335.411 2.050 30 50 EEEA C=CCC(O)(CC=C)[C@H](C)NC(=O)CCNC(=O)c1ccccc1F 55042126 WHRGZUNKFJBBDH-AWEZNQCLSA-N 348.418 2.334 30 50 EEEA CCc1ccccc1NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O 582985 KWPCHUFVOCEQKH-UHFFFAOYSA-N 339.395 2.376 30 50 EEEA Cc1cscc1C/N=C(/O)N1CCCN(Cc2cnn(C)c2)CC1 328587659 DVSITIZRHSJDOS-UHFFFAOYSA-N 347.488 2.412 30 50 EEEA CC(C)CC(=O)N1CCC(/N=C(/O)[C@@H](c2cncn2C)N(C)C)CC1 329177647 CGHKWBVINRRNIP-QGZVFWFLSA-N 349.479 2.016 30 50 EEEA O=C(c1ccco1)N1CCCN(Cc2cc(C#CCO)cs2)CC1 65380846 YIHLBRAOWCYASX-UHFFFAOYSA-N 344.436 2.033 30 50 EEEA CSC[C@@H](C)N/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1 328625889 DQOTWJNSGVFGGC-WOPDTQHZSA-N 346.497 2.311 30 50 EEEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1cncnc1)N[C@H]1C=CCCC1 328642917 REJCXLKKUDZMMM-JYJNAYRXSA-N 333.411 2.001 30 50 EEEA COC(=O)[C@H]1CC[C@H](C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 253426901 JBLZXCBCSJDJBV-YKTARERQSA-N 348.443 2.420 30 50 EEEA COc1ccc(CN2CCN(C(=O)c3ccc(C#N)cc3)CC2=O)cc1 77439107 JIUZPCGJIPTMAY-UHFFFAOYSA-N 349.390 2.051 30 50 EEEA C[C@]1(C(=O)O)CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 263504887 VHJGLBYZIKBCBC-HNNXBMFYSA-N 339.298 2.488 30 50 EEEA Cc1ccccc1N1CCN(C(=O)c2cc(F)cc(C#N)c2)CC1=O 82097916 ASCLHIJBEIDMFM-UHFFFAOYSA-N 337.354 2.495 30 50 EEEA C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2[C@H](O)CO 254738596 DCMCEXCRUWBAFV-GDZCPINPSA-N 348.483 2.459 30 50 EEEA CC[C@@H](C)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 265116205 DEIJTTOQACDZSU-NVXWUHKLSA-N 335.473 2.072 30 50 EEEA CC/N=C(\NCC)S[C@H]1CC(=O)N(c2cccc(OCC)c2)C1=O 18023316 PWNGRPVOEVQJBF-AWEZNQCLSA-N 349.456 2.436 30 50 EEEA CC1(C)OB(c2cc([N+](=O)[O-])ccc2N2CCCC2=O)OC1(C)C 170005251 VYUXJNKMILPSRB-UHFFFAOYSA-N 332.165 2.021 30 50 EEEA Cc1ccccc1S(=O)(=O)/N=C(/c1ccccc1)N1CCOCC1 100902783 QVOFLMYKBOPSBC-HNENSFHCSA-N 344.436 2.463 30 50 EEEA C[C@H]1CN(S(=O)(=O)CCCC#N)C[C@@H](c2ccc(F)cc2)O1 110625707 QIEHDLGZMQKRHK-WFASDCNBSA-N 326.393 2.221 30 50 EEEA Cc1cc(/C(O)=N/Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cnn1 329862615 RGUKWRXVSKDITD-KBPBESRZSA-N 341.415 2.298 30 50 EEEA N#Cc1cccc([C@@H]2CN(C(=O)COc3ccccc3C#N)CCO2)c1 371360241 NVKKIPODSKXWCH-IBGZPJMESA-N 347.374 2.409 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1Cc2ccccc2[C@@H](n2cccn2)C1 377386825 QYKPOMUPECWNRV-SFHVURJKSA-N 331.379 2.339 30 50 EEEA COc1ccccc1NN=C(C(=O)Nc1ccccc1)C(N)=S 254700314 AEJQAPDRTZBSRY-UHFFFAOYSA-N 328.397 2.388 30 50 EEEA CC1(C)OB(c2cnn(CCCO[C@H]3CCCCO3)c2)OC1(C)C 382645082 VSJXDLPVFGAPKF-HNNXBMFYSA-N 336.241 2.116 30 50 EEEA N#Cc1cc2n(n1)CCCN(Cc1cccc(Cn3cccn3)c1)C2 826805569 CUHXMIMQIDQEEG-UHFFFAOYSA-N 332.411 2.405 30 50 EEEA C/N=C(/NCc1nc(C2CC2)no1)N[C@@H](C)[C@H]1COc2ccccc21 170596067 FOLKORQVHLOHCQ-SMDDNHRTSA-N 341.415 2.177 30 50 EEEA CCOC(=O)[C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1O 1908500298 BXVDAXOLIKDWQR-OCCSQVGLSA-N 342.317 2.327 30 50 EEEA CS(C)(=O)=NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1 952992203 BJEDJQOZVFCMPD-LBPRGKRZSA-N 336.417 2.410 30 50 EEEA COC(=O)[C@H]1C(=O)/C(=C\NCCc2ccccc2)C(=O)CC1(C)C 102408539 OCLUNMZKXQGIFE-OBEJXRGXSA-N 329.396 2.060 30 50 EEEA C=CCN1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 20160919 MPPJKROGRMZVST-UHFFFAOYSA-N 328.334 2.414 30 50 EEEA CC#CC(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 64131708 MFPYFNQWAMEZRH-SFHVURJKSA-N 325.456 2.131 30 50 EEEA OC(=Nc1cccnc1-n1cncn1)N1CCC[C@H](OCC2CC2)C1 328596490 WHEUFIULJBWZHT-AWEZNQCLSA-N 342.403 2.099 30 50 EEEA C#CC[C@H](O)CNC(=O)Cc1csc(COc2ccc(C)cc2)n1 408517378 GDJMHYPSHIEGRJ-HNNXBMFYSA-N 344.436 2.073 30 50 EEEA COc1ccccc1N1CCN(/N=C\c2ccc(O)cc2O)CC1 19866405 QFNLESLCVYNXDI-UYRXBGFRSA-N 327.384 2.263 30 50 EEEA O/C(=N/[C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CCc2nn[nH]c2C1 328967704 NMCIOXQILIKYAQ-GHMZBOCLSA-N 346.822 2.193 30 50 EEEA CN(C)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 8844124 XDOUJQCBIIOBNY-UHFFFAOYSA-N 333.395 2.346 30 50 EEEA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1ccc(C#N)c(Cl)c1 1775956934 AOQIJWIORAZFKT-JSGCOSHPSA-N 347.806 2.495 30 50 EEEA CN1C[C@@H](C(=O)N(CCC#N)Cc2cccnc2)[C@@H](C(F)(F)F)C1 2325771189 ATGRKDCQZUGLKR-KGLIPLIRSA-N 340.349 2.064 30 50 EEEA CCN1C(=O)/C(=N/N=c2\sc3ccccc3n2C)SC1=S 4773805 UTULQGASKVJINS-LOQWIJHWSA-N 336.467 2.334 30 50 EEEA Cc1cnn([C@@H]2CCN(/C(O)=N/C[C@@H]3CCCn4ccnc43)C2)c1 329619731 QXTUITZRAGPCME-LSDHHAIUSA-N 328.420 2.126 30 50 EEEA N#C[C@H](C(=O)c1cccc(-n2ccnn2)c1)c1nnc2n1CCCCC2 165672237 FZSBHDPXVXDWJU-OAHLLOKOSA-N 347.382 2.075 30 50 EEEA N#CCC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 408514116 CRXPAAYWFCAQSF-UHFFFAOYSA-N 327.306 2.143 30 50 EEEA C=CCNC(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCC2)c1=O 15001219 CXGKYAMEYIVLND-UHFFFAOYSA-N 345.443 2.093 30 50 EEEA Cc1cc(O)nc(N2CCC(Nc3ncc(C#N)cc3Cl)CC2)n1 952878105 YZHCDDHKSXJVOO-UHFFFAOYSA-N 344.806 2.492 30 50 EEEA CN(CC(O)=Nc1nncs1)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328629698 INPJHZHCIKGYMK-ZFWWWQNUSA-N 346.460 2.146 30 50 EEEA CC(C)[C@H]1CN(C(=O)c2ccc(C#N)nc2)CCC(=O)N1CC1CC1 72146534 AJPFLZBAZXFQTF-QGZVFWFLSA-N 340.427 2.062 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(S(=O)(=O)[C@@H](C)CC)CC2 91663166 UCJXGSOPKQOONU-AWEZNQCLSA-N 328.478 2.005 30 50 EEEA COC(=O)[C@@H](CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 757122234 DYJYKMFLOJWHRL-SNVBAGLBSA-N 329.202 2.145 30 50 EEEA COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)CC#N 170599372 YMNDYAUUABFXAU-LBPRGKRZSA-N 325.162 2.035 30 50 EEEA O=S(=O)(ON1CC1(C(F)(F)F)C(F)(F)F)c1ccccc1 5073386 CKWMYBMYJVUCMK-UHFFFAOYSA-N 335.225 2.486 30 50 EEEA CO[C@H]1CCCN(c2cc(C)nc(N3CCC[C@@H](OC)C3)c2C#N)C1 408524508 VERQWZYOHWUQDJ-JKSUJKDBSA-N 344.459 2.492 30 50 EEEA C#C[C@](C)(CC)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 33787 DDXBVUCDFHMRFN-GOSISDBHSA-N 342.420 2.267 30 50 EEEA C[C@H]1C[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1=O 328953861 MPGABEJNUZUIMH-DZGCQCFKSA-N 343.402 2.351 30 50 EEEA N#CC1(NC(=O)CN2C[C@H](O)C[C@H]2c2cccc(F)c2)CCCCC1 281579777 DTYNYXDRKMAGQI-SJORKVTESA-N 345.418 2.276 30 50 EEEA N#Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ccncc3)CC2)cn1 1875368687 KXALMDKHBSLULV-AWEZNQCLSA-N 342.424 2.307 30 50 EEEA COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 43624 DBZWFUBFIZTYHI-CQSZACIVSA-N 329.352 2.159 30 50 EEEA Cc1c[nH]ccc1=N/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328644374 ZFEXNBPWLYQRQA-RDJZCZTQSA-N 325.416 2.226 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C 253421238 SJMFPCANFRRJKB-WZGPROSRSA-N 343.471 2.389 30 50 EEEA C[C@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 170081414 CWJSOPMQEHPDCI-ZDUSSCGKSA-N 326.375 2.372 30 50 EEEA O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@H]1C[C@H]1[N+](=O)[O-] 170591171 RKCHZFQKNQWCHC-IUYQGCFVSA-N 345.142 2.366 30 50 EEEA N#Cc1cccc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)n1 1857673941 UHEOBWGWBWPGQD-LJQANCHMSA-N 334.379 2.207 30 50 EEEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 245227044 XKBCFGZEXNSYOH-AWOYVNFWSA-N 325.324 2.044 30 50 EEEA Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nc3n(c1C#N)CCS3)C2 170007421 OFWYBDBKYDHJNJ-CQSZACIVSA-N 340.408 2.420 30 50 EEEA CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(C#N)ccc2F)CCO1 170599759 SJAKGONQAQNKAK-OAHLLOKOSA-N 349.406 2.423 30 50 EEEA C#CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 1145953 ZVHHKTFUCHSXCK-NTUHNPAUSA-N 348.336 2.282 30 50 EEEA N/C(=N\S(=O)(=O)Cc1ccccc1)Nc1nc2ccccc2o1 4211201 RZAIQRYFBDAHMA-UHFFFAOYSA-N 330.369 2.084 30 50 EEEA COc1ccc(C(=O)/N=C(\N)NCCc2c[nH]c3ccccc23)cc1 19727711 PVOYYGXWGYNBER-UHFFFAOYSA-N 336.395 2.464 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 253397131 SWMGXOJRVRUQDE-HOTGVXAUSA-N 346.383 2.194 30 50 EEEA CC(C)N(C)c1cccc(N=C(O)N2CCN(C[C@H](C)O)C[C@@H]2C)c1 330525055 BYSRDJYCCAUJBC-HOTGVXAUSA-N 348.491 2.464 30 50 EEEA Cc1c(Cl)cnc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c1C#N 685940625 DRFGLMFJHTUKIE-MISXGVKJSA-N 346.822 2.010 30 50 EEEA CO[C@@H]1C[C@H](CNc2nccc(C#N)c2Cl)N(c2ccncn2)C1 952887063 KGMNYCUCZOETDN-CHWSQXEVSA-N 344.806 2.102 30 50 EEEA C#CCN(C)C(=O)Nc1cc(Br)ccc1C1=NCCO1 1311199348 DDHHKERBTYZWRF-UHFFFAOYSA-N 336.189 2.323 30 50 EEEA CC(C)(C)NC(=O)COc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1775954687 HSMMSYYDKPSMIF-UHFFFAOYSA-N 333.237 2.279 30 50 EEEA CCOC(=O)NC(=O)/C(=C\Nc1cc(Cl)ccc1O)C(C)=O 17111292 CZYBENZKUCIDDT-YFHOEESVSA-N 326.736 2.203 30 50 EEEA COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 43623 DBZWFUBFIZTYHI-AWEZNQCLSA-N 329.352 2.159 30 50 EEEA Cc1cc(F)ccc1S(=O)(=O)ON1C(=O)c2ccccc2C1=O 2685098 KCBHYFBKDCBYEY-UHFFFAOYSA-N 335.312 2.051 30 50 EEEA CCc1nn(C)c(CC)c1CN/C(=N/C)N[C@@H]1CCN(CC)[C@@H](C)C1 252511585 IHVUJGYYZRBLRL-LSDHHAIUSA-N 348.539 2.083 30 50 EEEA N#Cc1cccnc1N1CC[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 864314015 DZUKCELZEGPSKQ-CQSZACIVSA-N 336.399 2.043 30 50 EEEA C=CC[C@H](C(=O)N1CC(N2CCN(CC)CC2)C1)c1ccccc1 952880369 NULWCUZWELQNPW-IBGZPJMESA-N 327.472 2.195 30 50 EEEA N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 2325779440 DNTDBJWCGMNJEP-OAHLLOKOSA-N 335.411 2.050 30 50 EEEA C#CCCC1(CCC(=O)Nc2nc3c(s2)C(=O)NCCC3)N=N1 2325892983 ZKZVTQPECGKWFW-UHFFFAOYSA-N 331.401 2.113 30 50 EEEA N#Cc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccc1[N+](=O)[O-] 221852541 COBIKMRBZDDCGS-BLLLJJGKSA-N 340.383 2.446 30 50 EEEA CC/N=C(\NCC)S[C@@H]1CC(=O)N(c2cccc(OC)c2)C1=O 100507600 CDECIFSKOZYFFG-CYBMUJFWSA-N 335.429 2.046 30 50 EEEA CCn1ccnc(N2CCC(/N=C(/O)CCc3ccoc3)CC2)c1=O 328626816 FKZNJXVNVPETPM-UHFFFAOYSA-N 344.415 2.414 30 50 EEEA C=CCNc1ccccc1C(=O)N[C@H](C(=O)O)c1c(C)n[nH]c1C 67692894 QPTCNEPJQRCWBR-HNNXBMFYSA-N 328.372 2.180 30 50 EEEA COC[C@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ccccn1 952990205 LKALKWBQLGHAIM-SFHVURJKSA-N 338.407 2.322 30 50 EEEA C=CCN1C[C@@H](C(=O)NCCCc2nc3ccccc3s2)CC1=O 952867589 QSSJYJKBWGRJKI-ZDUSSCGKSA-N 343.452 2.380 30 50 EEEA CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(C#N)ccc2F)CCO1 170599760 SJAKGONQAQNKAK-HNNXBMFYSA-N 349.406 2.423 30 50 EEEA C#CCCC1(CCC(=O)Nc2ccc3c(c2)OCC(=O)N3C)N=N1 952880184 DGYYIJMFRXBXCX-UHFFFAOYSA-N 326.356 2.336 30 50 EEEA C=CCc1cc(CN2CCC3(CC2)CN(C)CCN3C)ccc1O 67770966 FDLBDPIXAXELJF-UHFFFAOYSA-N 329.488 2.333 30 50 EEEA CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1cccnc1 384253 VYKBVAGHTAOYHO-YGRLFVJLSA-N 328.368 2.182 30 50 EEEA COC[C@H]1CCCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 364142008 VFCXUABLAFZFAG-LBPRGKRZSA-N 326.393 2.135 30 50 EEEA COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc(C#N)c2C#N)c1C 180419481 OKQLQBIIFHOIPK-LBPRGKRZSA-N 325.372 2.135 30 50 EEEA CC(C)C(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@@H]1N1CCOCC1 19770520 FQFOANNTVMYKIM-KRWDZBQOSA-N 332.356 2.254 30 50 EEEA CCOC(=O)/C(C#N)=N/Nc1ccccc1I 5592067 YTAXXXGGRISGEV-XNTDXEJSSA-N 343.124 2.146 30 50 EEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1nccnc1C#N 328631281 QTIHGXVTMQQREF-SNVBAGLBSA-N 336.321 2.262 30 50 EEEA CCOCC/N=C(/O)N1CCC[C@H](Nc2ccc(N(C)C)nc2)CC1 328631701 KTBRCTPRMYBEIE-HNNXBMFYSA-N 349.479 2.365 30 50 EEEA COc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccc(C)c1C#N 361990084 ZSSYHQKXQMEEAI-UHFFFAOYSA-N 346.364 2.374 30 50 EEEA Cc1ccc(C#N)c(N2C[C@H]3COc4ccccc4C[C@@]3(CO)C2)n1 95373167 OACQEQJYOWNJJX-PXNSSMCTSA-N 335.407 2.312 30 50 EEEA N#Cc1cccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 225686159 HSUTZCXIUUKFKQ-DOTOQJQBSA-N 346.383 2.194 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CCC3)C2)cc1 158733750 FLLKPVIUQNISOC-UHFFFAOYSA-N 334.441 2.167 30 50 EEEA N#Cc1nccnc1N1CCN(Cc2ccc(F)cc2Cl)CC1 253393132 UJLDNIMJBCAPEY-UHFFFAOYSA-N 331.782 2.463 30 50 EEEA CC(O)=Nc1ccc(NC(=O)CN2[C@H]3CC[C@@H]2CN(C)CC3)cc1 328596002 NENKCSJOFNBCAZ-DLBZAZTESA-N 330.432 2.402 30 50 EEEA N#C[C@@H]1CCC[C@H]1OC(=O)[C@H](c1ccccc1F)N1CCOCC1 253425723 VYCDARJUGCOCCI-XKQJLSEDSA-N 332.375 2.434 30 50 EEEA C=CCNC(=O)CSc1nnnn1-c1ccc2ccccc2c1 5016346 OXHIBVYJFQWAJX-UHFFFAOYSA-N 325.397 2.210 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)COc2cccc(C)c2)cc1OC 4318690 QYDMKKRITUAQJB-UHFFFAOYSA-N 344.367 2.255 30 50 EEEA C[C@@H](C(=O)N(C)CCC#N)N1CCO[C@@H](c2ccc(Cl)cc2)C1 249712292 FRVIKRXZTWPNKD-XJKSGUPXSA-N 335.835 2.474 30 50 EEEA N#CC1(CS(=O)(=O)NCc2nc3cccc(F)c3[nH]2)CCCC1 1775986713 PMFJSKPUVZSOOJ-UHFFFAOYSA-N 336.392 2.205 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@](O)(c3ccc(C)nc3)C2)N=N1 2325900468 ZYKISKOUMBIXSS-QGZVFWFLSA-N 326.400 2.166 30 50 EEEA Cn1nc(C(F)(F)F)c(C#N)c1OS(=O)(=O)c1ccccc1 12955705 JUNJBRBVQZBRPK-UHFFFAOYSA-N 331.275 2.078 30 50 EEEA C[C@@H](O)c1ncc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)s1 241157257 JWEMTLPDHOLLPD-ZBFHGGJFSA-N 342.468 2.406 30 50 EEEA N#Cc1ccnc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 348261673 PZOMZJCWEUFDIC-BLLLJJGKSA-N 329.306 2.180 30 50 EEEA N#CC1(C(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)CCOCC1 368291125 LMANNLFSQWMHCV-LJQANCHMSA-N 342.439 2.151 30 50 EEEA COc1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1C#N 275462923 HEAPLZVZEXEZBE-FUHWJXTLSA-N 326.400 2.310 30 50 EEEA C=CCCC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 12387321 DXXBXWIKYHABME-OAHLLOKOSA-N 344.459 2.409 30 50 EEEA O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)[C@H]1CO1 1875372568 IKOROBSMYVFXEB-HZPDHXFCSA-N 328.437 2.363 30 50 EEEA N#Cc1cc(Br)cnc1N1CCC[C@@H]1c1ccc(N)nn1 886085411 GRKIMFUOWHNLCG-GFCCVEGCSA-N 345.204 2.429 30 50 EEEA CCCN(CC#Cc1ccccc1)C(=O)[C@H]1CCCN(C(N)=O)C1 55402067 IVSZVYNYBTZPRW-KRWDZBQOSA-N 327.428 2.067 30 50 EEEA Cc1ccc(CN2CCN(c3ncccc3C#N)C[C@H]2CCO)cc1 107012003 UBHDLVWRZSGINV-LJQANCHMSA-N 336.439 2.335 30 50 EEEA COc1ccc(CCN2CC(=O)C(c3nc(C)cs3)=C2N)cc1 13688125 PVIQXEPVDVRGHU-UHFFFAOYSA-N 329.425 2.215 30 50 EEEA COc1ncc(C(F)(F)F)c(B2OC(C)(C)C(C)(C)O2)c1OC 169794027 HMUKCBZNHGKNND-UHFFFAOYSA-N 333.115 2.417 30 50 EEEA COc1cc(C#N)ccc1CN1CCC[C@@H](CN2CCOCC2)C1 120942802 AJVNVRCEPWSVDJ-KRWDZBQOSA-N 329.444 2.111 30 50 EEEA N#Cc1ccc(CN[C@@H]2CCCN(c3ccccc3C(N)=O)C2)cc1 363090325 XSBXDNIYXRFXDJ-QGZVFWFLSA-N 334.423 2.416 30 50 EEEA O/C(=N/[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CCC[C@H]1Cn1ccnn1 329043457 IVBIWHOSQIBVRE-XOYOTBSWSA-N 337.427 2.385 30 50 EEEA Cc1cc([C@@H](C#N)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)nc(C)n1 750684618 SBODMQDEMPCMJH-SMDDNHRTSA-N 349.394 2.360 30 50 EEEA C[C@H](/N=C(/O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1)C1CCC1 328633963 SXZMZTKJPGCCNS-WFASDCNBSA-N 333.436 2.019 30 50 EEEA Cc1nc(C)c(C)c(N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1 253392201 FZWFJNHMVXFGLO-LIRRHRJNSA-N 333.395 2.252 30 50 EEEA O/C(=N/Cc1cnc(N2CCOCC2)s1)c1cccc2c[nH]nc12 328594573 VDPDZWNIAZNZRJ-UHFFFAOYSA-N 343.412 2.361 30 50 EEEA O/C(=N/[C@@H]1CCCC(F)(F)C1)N1CCO[C@H](Cn2cccn2)C1 330222674 MPZSBIDXQYXTJL-OLZOCXBDSA-N 328.363 2.076 30 50 EEEA C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 237504633 RZXDXYMFUIHLHH-KOLCDFICSA-N 347.362 2.077 30 50 EEEA CN1CCCCC[C@@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 95381039 RKXOZHCBTUHPQI-GOSISDBHSA-N 326.444 2.081 30 50 EEEA N#Cc1nc(O)n(-c2ccccc2)c(=N)c1N=Cc1ccc(O)c(O)c1 253534436 YHTJEHQYSILMKN-UHFFFAOYSA-N 347.334 2.091 30 50 EEEA C=C[C@@H]1OCC[C@H]1NC(=O)CCCc1nc(O)c2ccccc2n1 408519884 ZZXYRWBMZVGHSE-CABCVRRESA-N 327.384 2.118 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)N=N1 952882434 QTVJDNXSRPCXPK-BRWVUGGUSA-N 346.475 2.442 30 50 EEEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(O)c1 8743093 BTVHMVLPZJNJGR-OAHLLOKOSA-N 343.335 2.210 30 50 EEEA biogenic CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc(F)c1 20100126 VLCFLIXAXFXDGE-MRXNPFEDSA-N 334.391 2.452 30 50 EEEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1CCOc1ccccc1C#N 284693384 FXUKXLQWZGQUJP-ZIFCJYIRSA-N 330.428 2.453 30 50 EEEA CCCCOCCCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N 5009547 JUAQZMLWWWUXPN-UHFFFAOYSA-N 328.416 2.282 30 50 EEEA CN(C)c1cc(C#N)cc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)c1 425301670 JCWCVXKUOIHJHK-UHFFFAOYSA-N 337.427 2.442 30 50 EEEA Cn1ccc(/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2cccs2)cc1=O 328627833 GPNAMJKXGNAPHW-KBPBESRZSA-N 349.431 2.364 30 50 EEEA Cc1cc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)c(C#N)cn1 425256870 BYUBTYMBUFZHHN-LBPRGKRZSA-N 327.413 2.069 30 50 EEEA CN1CCc2nc(N)c(C#N)c(-c3ccnn3-c3ccccc3)c2C1 72139005 GCGMEANZVGBOTC-UHFFFAOYSA-N 330.395 2.376 30 50 EEEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2c1cccc(C(F)(F)F)c1 334157996 GZZFBDQOIJHXCT-VHSXEESVSA-P 337.368 2.123 30 50 EEEA COCC[C@@H]1CN(CCCC(=O)Nc2ccc(C#N)cc2)CCO1 244691554 JEWYMELXTYVFBG-QGZVFWFLSA-N 331.416 2.014 30 50 EEEA CCn1cc([C@H]2CN(CCOc3cccc(C#N)c3)CCO2)cn1 190813761 VGDASCNOAVFYRR-GOSISDBHSA-N 326.400 2.227 30 50 EEEA COc1ccc(CC(=O)O/N=C(\N)c2ccc(C)cc2)cc1OC 6814227 IHYRJKMZXBVHRU-UHFFFAOYSA-N 328.368 2.418 30 50 EEEA CS(=O)(=O)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 131385236 PILYOHYLZOSILV-GFCCVEGCSA-N 347.362 2.095 30 50 EEEA C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@@H]1O)C2(C)C 822218742 SDBITTRHSROXCY-JEGNEPSBSA-N 334.456 2.233 30 50 EEEA biogenic C#CCCC1(CCC(=O)N2CCN(c3ccc(F)cn3)CC2)N=N1 952882485 RDVQPDIZDFTWAO-UHFFFAOYSA-N 329.379 2.225 30 50 EEEA CC(=O)N1C[C@@H](NC(=O)c2cccc(C#N)c2)CC[C@H]1C(F)(F)F 886056826 JEMBQLKRSGKYHV-KBPBESRZSA-N 339.317 2.230 30 50 EEEA CCOC(=O)[C@H]1CCCN(c2cc(C#N)c(C#N)cc2[N+](=O)[O-])C1 4629007 UADLWYIKOJVFCT-NSHDSACASA-N 328.328 2.118 30 50 EEEA N#Cc1c(NC(=O)C(=O)NCc2cccnc2)sc2c1CCCC2 4865706 ZUOZXDUQQBIFOY-UHFFFAOYSA-N 340.408 2.148 30 50 EEEA C=C(C)Cn1c(=O)c2c(nc3oc(-c4ccccc4)cn32)n(C)c1=O 6660818 VOLJWSDKQQUJML-UHFFFAOYSA-N 336.351 2.184 30 50 EEEA CCn1c(C)nc2cc(C(=O)O)cc(B3OC(C)(C)C(C)(C)O3)c21 170008531 KHWCEJOCNSPDOT-UHFFFAOYSA-N 330.193 2.362 30 50 EEEA Cc1cncc(/C=C/C(O)=N/C[C@H]2CN(c3nncs3)CCO2)c1 328589980 QYZQVRYRSDQZMV-HSWBROFVSA-N 345.428 2.117 30 50 EEEA C=CCNC(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 363948393 QXWKKTAPNDOPLJ-UHFFFAOYSA-N 334.395 2.192 30 50 EEEA CN1C[C@]2(CCCN(C(=O)c3cc(F)cc(C#N)c3)CC2)OC1=O 72140368 QJLNATMVMHOGSK-QGZVFWFLSA-N 331.347 2.144 30 50 EEEA C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 333097612 PKJJEUFLLPJRLI-RYDUCSDGSA-N 341.454 2.062 30 50 EEEA N#C[C@@H]1COCCN1C(=O)Cc1c[nH]c2cccc(Br)c12 179294709 XNJVSOICJPEECM-LLVKDONJSA-N 348.200 2.224 30 50 EEEA CC(C)[C@H](/C(O)=N/C[C@H]1CCCCS1(=O)=O)N1CCCCC1 329557496 LFWNQHTWGMKDIR-HUUCEWRRSA-N 330.494 2.421 30 50 EEEA O=C(O)[C@H](c1ccccc1)N1CC[C@H](/N=C(/O)CC(F)(F)F)C1=O 328588617 KUWHVJUPGMPFRQ-JQWIXIFHSA-N 344.289 2.322 30 50 EEEA CC1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc([S@@](=O)O)cc1 23549876 RTGIXUPSIZCQDZ-SDXDJHTJSA-N 342.380 2.458 30 50 EEEA C=CC[C@]1(C(=O)O)CCCN(C(=O)COc2ccccc2OC)C1 92046314 UOAQWPZZUFKIOG-SFHVURJKSA-N 333.384 2.344 30 50 EEEA C[C@H](c1nnn[nH]1)n1cc(-c2ccccc2C#Cc2ccccc2)nn1 91770266 AGOQJXJHSGSNLM-CQSZACIVSA-N 341.378 2.467 30 50 EEEA CC(C)OC(=O)c1ccc(-c2ccc(C=NNc3nnn[nH]3)o2)cc1 245228647 APRBAUGNCQXJFX-UHFFFAOYSA-N 340.343 2.471 30 50 EEEA CC/N=C(/NCCc1ccc(OC)cc1Cl)NCC1(C)COC1 170590936 PJCMXESJVMYNBH-UHFFFAOYSA-N 339.867 2.483 30 50 EEEA N#CCCNC(=O)CN1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 247716939 NYULTMUUKNJJHS-RTBURBONSA-N 340.471 2.145 30 50 EEEA N#Cc1ccnc(NCc2cccc(OCCN3CCOCC3)c2)c1 283910552 WPMVOPIEQAOAKE-UHFFFAOYSA-N 338.411 2.276 30 50 EEEA C#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2OC)C1 11952974 NAIFOEKXBIPECG-QGZVFWFLSA-N 340.423 2.082 30 50 EEEA Cc1noc([C@H](NC(O)=Nc2ccc(F)cn2)C2CCOCC2)n1 328625746 KYNUVDWXAJPCCU-CYBMUJFWSA-N 335.339 2.215 30 50 EEEA C=CCOCC(=O)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952894909 RMZMRWUVQLHTAE-AWEZNQCLSA-N 345.321 2.182 30 50 EEEA N#Cc1cccc(CN2CCC(N=c3ccn4nccc4[nH]3)CC2)c1 1875286963 ORBHFEMZHWIYQX-UHFFFAOYSA-N 332.411 2.099 30 50 EEEA C#CCCC1(CCNC(=O)CN2Cc3ccccc3OC2=O)N=N1 2325887448 SJRCVPJVWGKAKB-UHFFFAOYSA-N 326.356 2.083 30 50 EEEA O[C@@H](/N=C(/c1ccccc1)N1CCOCC1)C(Cl)(Cl)Cl 13305203 IVTFHECIZMPKIO-ZSAINHDTSA-N 337.634 2.454 30 50 EEEA C[C@H](C/N=C(/O)N1CCC(c2cnc[nH]2)CC1)CC1(C)OCCO1 328587855 BZGLNYBQIUNUBO-ZDUSSCGKSA-N 336.436 2.292 30 50 EEEA OC[C@]1(F)CCN(/C(O)=N/Cc2coc(-c3cccs3)n2)C1 328711931 ROOKCMOQZIIQHW-AWEZNQCLSA-N 325.365 2.223 30 50 EEEA Cc1nn(C)c2cc(N=C(O)N3CCOC[C@@H]3[C@H]3CCCO3)ccc12 329841693 WVWRKAHKCITECV-IAGOWNOFSA-N 344.415 2.307 30 50 EEEA CN1CCc2c(sc(N=Cc3nc4ccccc4[nH]3)c2C(N)=O)C1 252680087 VRBGRBHWBBVTDH-UHFFFAOYSA-N 339.424 2.462 30 50 EEEA N#Cc1cccc(CCNC(=O)N2CC[C@H](CN3CCCC3)C2)c1 374277727 NFXFGULLANHLQO-GOSISDBHSA-N 326.444 2.228 30 50 EEEA N#Cc1c(N)nc2c(c1-c1ccc(-n3cccn3)cc1)C[C@H](N)CC2 71753554 PBMFFWHZCHDVGA-CYBMUJFWSA-N 330.395 2.204 30 50 EEEA N#Cc1ccnc(N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1 95497339 CHKZYNMSRHOOIN-DZGCQCFKSA-N 339.424 2.037 30 50 EEEA CC(C)(O)C#Cc1ccc(CN2CCC(c3nc[nH]n3)CC2)s1 820608323 RCAFWUZPUZPYHT-UHFFFAOYSA-N 330.457 2.368 30 50 EEEA C=CCOc1ccc(C(=O)N[C@@H]2CCCN(CCOC)C2)cc1OC 408512856 XMEHROOIDPNDQE-MRXNPFEDSA-N 348.443 2.101 30 50 EEEA C#CC[C@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)OC 861950822 LAVKFEHWWNTMPT-PORFMDCZSA-N 331.315 2.461 30 50 EEEA C#CCCC1(CCNC(=O)[C@]2(N(C)C)CCOc3ccccc32)N=N1 2325887489 WLNLYKUUAJSWBG-IBGZPJMESA-N 340.427 2.308 30 50 EEEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cn[nH]c1-n1cnnn1 63871803 QOTZOMVUQMDCEO-KBPBESRZSA-N 339.403 2.067 30 50 EEEA N#C[C@@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CCN1C1CC1 364432020 GRAHBBSVPRLLBG-GOSISDBHSA-N 348.406 2.058 30 50 EEEA CCCCCCCCn1c(=O)c2c(nc3n2CCS3)n(C)c1=O 48520743 QKOOKYJEXPQXLA-UHFFFAOYSA-N 336.461 2.363 30 50 EEEA Cc1[nH]c2ccc(C#N)cc2c1CCNc1ncnc2c1CCNCC2 72430690 HYIDUHAJWMCSKC-UHFFFAOYSA-N 346.438 2.481 30 50 EEEA Cc1cnccc1C/N=C(/O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O 329151595 AFDMOZPLIRKDBX-LZLYRXPVSA-N 333.432 2.056 30 50 EEEA O=S(=O)(N/N=C/c1ccco1)c1ccc(Br)cc1 284806 LRPFPVCSKOLMFB-MDWZMJQESA-N 329.175 2.355 30 50 EEEA CCc1ccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 18093574 FVPXWSLTRPIQJB-UHFFFAOYSA-N 343.339 2.400 30 50 EEEA CC(=O)N1CCC(/N=C(/O)N2CCC(c3ccc(C)nc3)CC2)CC1 329485219 XAUSHBNASSPHSP-UHFFFAOYSA-N 344.459 2.494 30 50 EEEA Cn1cc(/C(O)=N/Cc2ccc(C#N)cc2F)c([C@@H]2CCOC2)n1 328624683 JZEGGPYHVBCRDQ-CYBMUJFWSA-N 328.347 2.440 30 50 EEEA CCOP(=O)(OCC)C(=NOC(=O)c1ccccc1C)C(N)=O 254748728 FWEGUULLWJWDEZ-UHFFFAOYSA-N 342.288 2.217 30 50 EEEA C=CCN(CC#Cc1ccccc1)C(=O)C[C@H]1C[C@H](C)NC(=S)N1 209980998 JYGOBWYFWPICDW-DOTOQJQBSA-N 341.480 2.068 30 50 EEEA COc1cc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OC 1431773 VKBLFFCIGJYTJQ-NSHDSACASA-N 331.368 2.323 30 50 EEEA CCOC(=O)N/C(S)=N/c1c(C)n(C)n(-c2ccccc2)c1=O 195626 SZTUOCWDJQXLRA-UHFFFAOYSA-N 334.401 2.148 30 50 EEEA Cc1ccccc1[C@H](/N=C(/O)N1CCCS(=O)(=O)CC1)C1CC1 329152517 ARZNCZNBVPQYKJ-MRXNPFEDSA-N 336.457 2.481 30 50 EEEA N#Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccccc1 3669523 KBFRYZAVSLGLKQ-UHFFFAOYSA-N 347.308 2.349 30 50 EEEA OC(=Nc1cccnc1-n1cncn1)N1CCC[C@@H](OCC2CC2)C1 328596491 WHEUFIULJBWZHT-CQSZACIVSA-N 342.403 2.099 30 50 EEEA CCn1cnnc1[C@@H]1CN(c2ccc3cc(C#N)ccc3n2)CCO1 369365646 DUHUYUSYKTUTOZ-INIZCTEOSA-N 334.383 2.296 30 50 EEEA N#C[C@H]1COCCN1C(=O)c1cc(Br)ccc1Cl 173125356 NQKBZNSQYJXYQB-VIFPVBQESA-N 329.581 2.467 30 50 EEEA CC(C)CN1CCN(C(=O)Nc2ccc(C#N)cc2F)[C@H](C)C1=O 96166760 DYQULCNHGUDMQR-GFCCVEGCSA-N 332.379 2.418 30 50 EEEA COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@H]1COCC[C@]1(C)O 331964780 QUFQFCWMWPUZDP-LMMKCTJWSA-N 330.428 2.319 30 50 EEEA Cc1ccc(S(=O)(=O)OC[C@H](C)[C@H]2CS(=O)(=O)C2(C)C)cc1 1721839 JIOPURBIBVJCGQ-GXTWGEPZSA-N 346.470 2.160 30 50 EEEA COc1ccc(OC)c(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 105210842 SJTWWZJWUQMHCH-BZPRTPENSA-N 340.379 2.235 30 50 EEEA Cn1ccnc1[C@@H]1OCC[C@H]1C(O)=Nc1nc2c(s1)COCC2 329046759 VDXMLWKMGHVKMV-BXKDBHETSA-N 334.401 2.315 30 50 EEEA CC[C@H](CC#N)NC(=O)c1cccc(C(=O)N[C@H](CC)CC#N)c1O 242191363 XEYUTOOSRQCAFR-CHWSQXEVSA-N 342.399 2.236 30 50 EEEA Cc1cnc2c(c1)N(C(=O)c1cc(C#N)cc(N(C)C)c1)CCN2C 1361985993 YZOSIGZBHBPPLA-UHFFFAOYSA-N 335.411 2.424 30 50 EEEA COCCCN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 9485943 NXFDPNFYGUJZFT-UHFFFAOYSA-N 329.425 2.359 30 50 EEEA Cc1cc(C(=O)O)n(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1 170005255 UTKHDKZKOXVRMI-UHFFFAOYSA-N 328.177 2.178 30 50 EEEA C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC2(CCOCC2)O1 365547515 CRHKPICBYHHEEA-OAHLLOKOSA-N 340.423 2.386 30 50 EEEA COC[C@@]1(CNc2nnc(C)c(C)c2C#N)OCCc2ccccc21 378058115 LPGBXNMLJMIOQW-LJQANCHMSA-N 338.411 2.492 30 50 EEEA CCOC(=O)Cc1csc(N/N=C2\C(=O)Nc3ccccc32)n1 17221883 WULPTTJGURVEOT-UHFFFAOYSA-N 330.369 2.017 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H](N3CCOCC3)CC2)N=N1 952880855 JJSXSQJMRBCKGA-INIZCTEOSA-N 332.448 2.055 30 50 EEEA Cc1cc(C)n2nc(CC(=O)N3c4cccc(C#N)c4C[C@@H]3C)nc2n1 2325810245 DSVFCTIITUATIF-LBPRGKRZSA-N 346.394 2.133 30 50 EEEA CN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 247986919 ZJGHUXRTLFXBMS-BRWVUGGUSA-N 348.468 2.077 30 50 EEEA N#CC1(CS(=O)(=O)NC2CCN(C3CCCC3)CC2)CCCC1 329520461 OJYGSVCLCDXTHH-UHFFFAOYSA-N 339.505 2.397 30 50 EEEA N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCCC[C@H]3C2)c(Cl)c1 241383466 MVMHJALQGBRWEV-JSGCOSHPSA-N 340.832 2.401 30 50 EEEA Cc1noc([C@@]2(C(F)(F)F)CCN(C(=O)C3(C#N)CCC3)C2)n1 952894794 QTOXSSYRGVSATF-CYBMUJFWSA-N 328.294 2.104 30 50 EEEA C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NC(C)C)C2 14732790 OBMMEVNSMUCCKX-CQSZACIVSA-N 348.516 2.113 30 50 EEEA COc1ccnc(N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)c1 120790308 BIXVOQBNZBKFER-UHFFFAOYSA-N 336.395 2.233 30 50 EEEA CC1(C)OB(c2cc(F)c(N3CCOCC3)c(F)c2)OC1(C)C 203615659 DXHKMVVLQQJTIM-UHFFFAOYSA-N 325.164 2.101 30 50 EEEA in-vitro COC(=O)c1ccsc1N1CC[C@@H](/N=C(/O)c2[nH]ccc2C)C1=O 328587802 IEZYFXDLHPULDF-LLVKDONJSA-N 347.396 2.281 30 50 EEEA C=CCCCS(=O)(=O)N1CC(C)(c2nnc(-c3cccnc3)o2)C1 952892992 GUQCDFGHKKEEGQ-UHFFFAOYSA-N 348.428 2.001 30 50 EEEA C=CCN1C[C@H](N[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CCC1=O 1775989967 COPKIJUGSAGUMA-ZIAGYGMSSA-N 340.431 2.003 30 50 EEEA Cc1nn(CCO)c(C)c1-c1cc(-c2cccc(O)c2)nc(N)c1C#N 67696036 STRDJEVOBGJAQH-UHFFFAOYSA-N 349.394 2.381 30 50 EEEA N#Cc1ccccc1N1CCN(CC[C@H](O)c2ccccc2)CC1=O 92019912 TXLYCIUITHNFEJ-IBGZPJMESA-N 335.407 2.331 30 50 EEEA N#Cc1ccccc1-c1ccc(CN2CCC[C@](O)(C(N)=O)C2)cc1 286196285 NSRLNKBMODBXFQ-HXUWFJFHSA-N 335.407 2.037 30 50 EEEA COc1ccc2c(c1)CCN(C(=O)c1cc(C#N)c(O)nc1C)CC2 95356150 RSZLYLJNGAJYOU-UHFFFAOYSA-N 337.379 2.217 30 50 EEEA CN(Cc1nc[nH]n1)C(O)=Nc1ccnc(OCc2ccccc2)c1 330032710 RKCHUWLMYXAPQT-UHFFFAOYSA-N 338.371 2.456 30 50 EEEA COCCC(=O)N1CCC(/N=C(/O)N(C)[C@H](C)c2ccccn2)CC1 331126651 RLIHZSCCPFHHPQ-CQSZACIVSA-N 348.447 2.016 30 50 EEEA C#CCCC1(CCNC(=O)C2CCC(NC(=O)C3CC3)CC2)N=N1 2325891651 UBAOSJRZDBVGDG-UHFFFAOYSA-N 330.432 2.153 30 50 EEEA N#Cc1cnn2c(O)cc(CN(Cc3cccc(O)c3)CC3CC3)nc12 1473154415 SZHGTRNOHJPSMM-UHFFFAOYSA-N 349.394 2.424 30 50 EEEA N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](c3ncc[nH]3)C2)C1=O 221838675 MTYPOHVNMHJLIH-KGLIPLIRSA-N 341.440 2.328 30 50 EEEA N#Cc1c(N2CCC[C@@H]2C(=O)NCc2ccco2)nc2ccccn12 134899407 FEJHXQMUYQLDTK-CQSZACIVSA-N 335.367 2.084 30 50 EEEA CCn1cc(CN2CCC[C@@H](c3nc(CCOC)no3)C2)cc1C#N 72130677 KCADZRJRXQFQKP-OAHLLOKOSA-N 343.431 2.331 30 50 EEEA C=CCN(Cc1ccccc1C)S(=O)(=O)N1CCC[C@@H]1COC 952961167 QSJFLWCSJVRDCA-QGZVFWFLSA-N 338.473 2.339 30 50 EEEA CC(C)(C)n1ncn(Cc2cc(C#N)ccc2Br)c1=O 191689865 CNBIFGUKZFUJTA-UHFFFAOYSA-N 335.205 2.482 30 50 EEEA C#CCCC1(CCC(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)N=N1 952882065 RLRHZVFBHFFGLP-INIZCTEOSA-N 343.431 2.083 30 50 EEEA CCOC(=O)/C(=N/Nc1cc(C(N)=O)c(Cl)cc1Cl)C(C)=O 4989557 SKYDZJXJLBJPHN-WOJGMQOQSA-N 346.170 2.012 30 50 EEEA COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(C#N)nc2)C1 115354510 GBJWNAAIUNCORO-CQSZACIVSA-N 336.395 2.218 30 50 EEEA COc1cc(C#N)ccc1OCCN1CC[C@@H](c2nc(C)no2)C1 346239860 LAFLLGTVAUFHEL-CQSZACIVSA-N 328.372 2.127 30 50 EEEA OC1=NCCN(/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)[C@H]1c1ccccc1 329841491 KBDITLQBBAZADH-ZBFHGGJFSA-N 339.399 2.194 30 50 EEEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1csnn1 328636400 VLHDLUVUOCHVAE-ZETCQYMHSA-N 331.323 2.321 30 50 EEEA CC1(C)CN(C(=O)C2(c3ccc(C#N)cc3)CC2)C[C@]2(CCOC2)O1 373631114 ZDKAKTXUZYKUQL-IBGZPJMESA-N 340.423 2.386 30 50 EEEA C=CCNCc1ccc(OC)c(OC[C@@H](O)CN2CCCCC2)c1 12111947 GZHKCOPNILVXDJ-KRWDZBQOSA-N 334.460 2.196 30 50 EEEA N#Cc1cc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)ccn1 952848302 JVDWCJACSYGWDF-CVEARBPZSA-N 348.410 2.215 30 50 EEEA CCOC(=O)[C@H]1CCc2nc(N)c(C#N)c(-c3cc(C#N)n(C)c3)c2C1 71638888 XNAPKLQNFAHTQG-NSHDSACASA-N 349.394 2.081 30 50 EEEA CN1CCC(CNC(=O)c2ccc(C#N)nc2)(c2ccccc2)CC1 222734256 MRTAXACXIQIHOM-UHFFFAOYSA-N 334.423 2.347 30 50 EEEA CC/N=C(\NCC)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 95532303 XTWKEHUBTLKLER-CYBMUJFWSA-N 335.429 2.046 30 50 EEEA N#Cc1ccc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)nc1 212662947 VSAJPTDLFJRBRQ-HIFRSBDPSA-N 339.424 2.037 30 50 EEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3cccc(C#N)c3F)n[nH]c21 1857527614 VZIJNVWDFZFPGL-ZJUUUORDSA-N 328.347 2.373 30 50 EEEA Cc1[nH]c2c(O)ncnc2c1CN1CCO[C@@H](c2cccc(C#N)c2)C1 1775985251 PBZKGZSLJVIVDP-MRXNPFEDSA-N 349.394 2.417 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc3c(c2)NC(=O)CCN3C)N=N1 2325890953 HHUMTYFJBBRLIV-UHFFFAOYSA-N 339.399 2.160 30 50 EEEA CC(C)(C)N1CC[C@H](N2CCN(c3ccc(C#N)cc3)CC2)C1=O 879586878 YCJYLALUGIFAFG-KRWDZBQOSA-N 326.444 2.080 30 50 EEEA N#CCNC(=O)CN1CCN(Cc2ccccc2)C2(CCCCC2)C1 152999846 YVVOQNOMHBGFRB-UHFFFAOYSA-N 340.471 2.147 30 50 EEEA C/N=C(/NCc1nc(C2CC2)no1)N[C@H](C)[C@H]1COc2ccccc21 170596068 FOLKORQVHLOHCQ-BXUZGUMPSA-N 341.415 2.177 30 50 EEEA N/C(=N\OC(=O)COc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 5034982 BFSRBMUPCNAVMN-UHFFFAOYSA-N 349.730 2.491 30 50 EEEA Cc1cccc(C/N=C(/O)CN2CCn3c(nnc3C(F)F)C2)c1 328590547 DMQCMRDMEVNVPT-UHFFFAOYSA-N 335.358 2.496 30 50 EEEA CC(C)(C(=O)N[C@H]1CCc2nccn2C1)c1cc(F)cc(C#N)c1 375722757 LVLKOOZNENIUET-HNNXBMFYSA-N 326.375 2.303 30 50 EEEA CC(=O)C1=C(C)OC(=O)[C@@]1(NC(=O)c1ccc(C)cc1)C(F)(F)F 2471681 JNADRNQPTMRGAE-OAHLLOKOSA-N 341.285 2.446 30 50 EEEA CCS(=O)(=O)CCOS(=O)(=O)c1ccc(C(C)(C)C)cc1 2810243 PJSSIAPSFSTMHP-UHFFFAOYSA-N 334.459 2.124 30 50 EEEA CC(C)S(=O)(=O)N1CC[C@@H](NCc2cccc(C#N)c2)[C@H](C)C1 252667949 DOQVORJTTOOIBW-RHSMWYFYSA-N 335.473 2.096 30 50 EEEA C#CC(C)(C)NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 2191837 LIGMMYQCVZIJQP-UHFFFAOYSA-N 326.396 2.371 30 50 EEEA N#CCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O)ccc1O 436993667 FRIHNGRQIDXBIY-UHFFFAOYSA-N 346.364 2.199 30 50 EEEA C=CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 241657626 PXVZWYFQYAVARV-GVDBMIGSSA-N 333.453 2.300 30 50 EEEA N#CC1(C(=O)NCc2cccc(-n3ccc(C(=O)O)n3)c2)CCCC1 262339905 GBDBBDLGHPPCCF-UHFFFAOYSA-N 338.367 2.271 30 50 EEEA COc1cccc(C(=O)N2CCC(C)(C#N)CC2)c1OCCCN 299769851 JLCLITJTXQZIMR-UHFFFAOYSA-N 331.416 2.189 30 50 EEEA Cc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(-c2ccco2)o1 170602285 GZUVTEZRPDZBCK-UHFFFAOYSA-N 330.325 2.311 30 50 EEEA CC(C)(C)n1cc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)nn1 253431131 QEWIQNQLGCHGIU-QGZVFWFLSA-N 325.416 2.478 30 50 EEEA C#CCCC1(CCC(=O)N2CCN[C@@H](c3ccc(O)cc3)C2)N=N1 2325892681 WREKTJVQOZPIBX-MRXNPFEDSA-N 326.400 2.221 30 50 EEEA N#Cc1cccc([C@H]2CN(C(=O)COc3ccccc3C#N)CCO2)c1 371360242 NVKKIPODSKXWCH-LJQANCHMSA-N 347.374 2.409 30 50 EEEA N#Cc1cccc(C2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)c1 91656317 JPHDSBHFCZOKTB-QGZVFWFLSA-N 337.423 2.275 30 50 EEEA CC1(C)O[C@@]12[C@H]1CC[C@H]2[C@@H](CO)[C@@H]1CS(=O)(=O)c1ccccc1 257359288 ZKAIDFYGPWHNAL-DNCCFGNJSA-N 336.453 2.272 30 50 EEEA N#C[C@@H](C(=O)c1ccnc(-n2ccnc2)c1)c1nnc2n1CCCCC2 187225725 WUELUROYCZGGLG-AWEZNQCLSA-N 347.382 2.075 30 50 EEEA COc1cc(/C=N/n2c(C)nnc(-c3ccccc3)c2=O)ccc1O 2598007 GTRBEMYYNXEUPV-YBFXNURJSA-N 336.351 2.210 30 50 EEEA N#Cc1cc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)ccc1F 376648319 HCXDPSRCPZYZDD-MRXNPFEDSA-N 331.391 2.024 30 50 EEEA C=CCCCS(=O)(=O)N[C@@H](c1cccc(OC)c1)c1nccn1C 813646052 FGTWVJZYGXSEGW-INIZCTEOSA-N 349.456 2.404 30 50 EEEA C=CC[C@H](CO)CNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](C)CC 222137452 LVHIGFMMSHARCH-YQQAZPJKSA-N 332.444 2.132 30 50 EEEA C[C@@H](Oc1cccc(C#N)c1)C(=O)NS(=O)(=O)CCC(C)(C)C 112761024 BEVDWVMREJXVJS-GFCCVEGCSA-N 338.429 2.208 30 50 EEEA O=C(C#Cc1ccc2c(c1)OCO2)N1CCOC[C@@H]1c1ccccc1 372011275 AYIJQRWWEYDDHT-QGZVFWFLSA-N 335.359 2.367 30 50 EEEA N#Cc1ccc(S(=O)(=O)CCn2ccc(-c3ccccn3)n2)cc1 242100053 WDYGPBRDBLWFIS-UHFFFAOYSA-N 338.392 2.291 30 50 EEEA C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 183219224 HBPZFULAABZSQO-SDDRHHMPSA-N 333.457 2.138 30 50 EEEA N#Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3cccnc3)C2)cn1 299794026 HXDSCPNYGMAAMC-KRWDZBQOSA-N 336.399 2.134 30 50 EEEA Cn1nccc1C(=O)O[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 170608672 VSEGUQJNYHQYMG-CQSZACIVSA-N 328.347 2.257 30 50 EEEA CC#CC(=O)N1CCC[C@@](Cc2cccc(OC)c2)(C(=O)OCC)C1 12226823 OKCIOFKIONUZKR-FQEVSTJZSA-N 343.423 2.433 30 50 EEEA C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)n1cc([N+](=O)[O-])cn1 1067205 CUJSRPCXMWBNJR-QMMMGPOBSA-N 331.357 2.413 30 50 EEEA C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 2059282 AIYOVQQKAJQHLP-AWEZNQCLSA-N 331.328 2.294 30 50 EEEA Cc1cc(CC/N=C(/O)N2CC[C@@H]3CCN(C)C[C@H]32)cc(C)c1O 328594322 AZQPPWUFHZLJGV-DLBZAZTESA-N 331.460 2.492 30 50 EEEA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(O)=Nc2cnc3c(c2)CCC3)C1 328630251 PQYFYZQCUSDMRY-UKRRQHHQSA-N 343.387 2.269 30 50 EEEA Cn1ccnc1[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)C1CC1 375535551 AITQRGWHYDHUTB-GOSISDBHSA-N 336.443 2.396 30 50 EEEA Cc1cccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)c1C 5092637 KAGQDZIQMOLXMC-UHFFFAOYSA-N 346.390 2.257 30 50 EEEA COc1cccc(/C(N)=N/OC(=O)Cc2ccccc2[N+](=O)[O-])c1 13523059 BBXVQKBAZTWSBD-UHFFFAOYSA-N 329.312 2.010 30 50 EEEA Cc1ccccc1[C@H](C)/N=C(/O)N1CCO[C@H](c2nncn2C)C1 328639276 WVSWTXJHJUHZEK-ZFWWWQNUSA-N 329.404 2.172 30 50 EEEA C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1C(=O)C1CCC(O)CC1 252508831 XVEBISRQOKXJIW-MNNVXMFVSA-N 341.455 2.142 30 50 EEEA C#CCN(C)S(=O)(=O)[C@H]1C[C@H]1c1ccccc1Br 1875362623 NIKIKDCNXZTTGW-AAEUAGOBSA-N 328.231 2.200 30 50 EEEA COc1cccc(CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)n1 350150707 CWHPGUDKEJAADS-INIZCTEOSA-N 334.379 2.003 30 50 EEEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@H]2C1 334157995 GZZFBDQOIJHXCT-UWVGGRQHSA-P 337.368 2.123 30 50 EEEA C=CCOc1cccc(C(=O)N[C@H]2CN(CC(=O)O)C[C@@H]2CCC)c1 91934355 YCZYIDDICYDBAG-RDJZCZTQSA-N 346.427 2.166 30 50 EEEA CCCOc1ncccc1CNc1ccc(S(N)(=O)=O)cc1C#N 301351398 IXLWADONOQMHTO-UHFFFAOYSA-N 346.412 2.002 30 50 EEEA Cc1cc(S(=O)(=O)N2CCc3ccc(C#N)cc32)ccc1C(=O)O 350893322 GEYDGRSFLMMEFE-UHFFFAOYSA-N 342.376 2.316 30 50 EEEA C=CCCCS(=O)(=O)Nc1c(C(=O)OC)n(C)c2ncccc12 952884936 TVPIYJHEEPUDLL-UHFFFAOYSA-N 337.401 2.068 30 50 EEEA N#Cc1cc(F)c(C(F)(F)F)cc1NCCCn1cc(CO)nn1 952995765 YDERNSAPEGVGTM-UHFFFAOYSA-N 343.284 2.302 30 50 EEEA N#Cc1cnn2c(NC3CCC(O)(c4cccnc4)CC3)ccnc12 1875313735 SCBJVGNZHSEOEI-UHFFFAOYSA-N 334.383 2.238 30 50 EEEA C#CCCC1(CCC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)N=N1 2325886347 PQTOAGCDNGZUMM-INIZCTEOSA-N 346.475 2.444 30 50 EEEA COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 125748 RJQUOIJAURTDOC-CYBMUJFWSA-N 328.368 2.182 30 50 EEEA CCOC(=O)[C@@H]1C(=O)C=C(N2CCOCC2)C[C@H]1c1ccccc1 227652 GNBGVXYUAWIXRL-WMZOPIPTSA-N 329.396 2.138 30 50 EEEA CCn1ccnc1CN1CC[C@H](CNC(=O)c2ccc(C#N)cc2)C1 67712971 MBXIFUMROLYWGI-MRXNPFEDSA-N 337.427 2.027 30 50 EEEA CNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)O)oc1C 439250406 VFNGTZWQKORMAQ-UHFFFAOYSA-N 335.341 2.000 30 50 EEEA CCn1cnnc1[C@@H]1CN(/C(O)=N/[C@@H](C)c2cccs2)CCO1 328640112 XDLQGNJZDBURKL-RYUDHWBXSA-N 335.433 2.408 30 50 EEEA Cc1cc(S(=O)(=O)NCc2cc(C(=O)O)ccc2F)ccc1C#N 1875264276 WSSPQLAGLBNUDM-UHFFFAOYSA-N 348.355 2.183 30 50 EEEA CCc1nnc(N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nc1CC 302701535 BFPFHZMGCNNTTQ-INIZCTEOSA-N 336.443 2.211 30 50 EEEA COc1cc(/C=N\n2nnnc2N)ccc1OCc1ccc(C)cc1 1436932 BBPYNUSXFTYMNM-GRSHGNNSSA-N 338.371 2.034 30 50 EEEA N#Cc1cccnc1N1CCN(c2ccc(C(F)(F)F)nn2)CC1 269941828 GSQBQTCXPAQJNN-UHFFFAOYSA-N 334.305 2.089 30 50 EEEA N#Cc1cc2c(nc1N1CCC[C@@]3(CCC(=O)NC3)C1)CCSC2 2325796552 YCRGQBFCELCOFH-SFHVURJKSA-N 342.468 2.239 30 50 EEEA CO[C@H]1CC[C@H]1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 2325804342 HBSBCOILHALYFV-YJBOKZPZSA-N 327.428 2.458 30 50 EEEA C=CCn1cc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c(C)n1 20272475 IVUJOABOTWGSMH-GOSISDBHSA-N 342.418 2.407 30 50 EEEA C#C[C@@](C)(CC)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 33788 DDXBVUCDFHMRFN-SFHVURJKSA-N 342.420 2.267 30 50 EEEA O/C(=N/Cc1noc2c1CCCC2)N[C@H]1CCOC2(CCOCC2)C1 329527915 IAVBXSDBRIYNMZ-ZDUSSCGKSA-N 349.431 2.285 30 50 EEEA C[C@@]1(NS(=O)(=O)Cc2cc(C#N)ccc2F)CCO[C@@H]1C1CC1 329614143 CXLHCSVVZOKVQZ-HZPDHXFCSA-N 338.404 2.074 30 50 EEEA C=CCN1CC[C@@H](N(C)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1=O 253425317 CHROXKZECUJAOA-SWLSCSKDSA-N 331.420 2.105 30 50 EEEA N#Cc1c(N)nc2c(c1-c1cccn1-c1ccccn1)C[C@H](N)CC2 71751641 BLDUQCWLNGSOCM-GFCCVEGCSA-N 330.395 2.204 30 50 EEEA CC1(C)C[C@@H](CN2CCN(c3ccccc3C#N)C(=O)C2)CCO1 82137630 CPTMEQULMYTALZ-HNNXBMFYSA-N 327.428 2.412 30 50 EEEA N#Cc1cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)ccn1 193376019 CPYKPCDFTKKQCD-UHFFFAOYSA-N 335.342 2.251 30 50 EEEA N#Cc1ccccc1N1CCCN(c2cc(=O)n3ccccc3n2)CC1 193968807 QOTDJBFWNYTVII-UHFFFAOYSA-N 345.406 2.283 30 50 EEEA C#CCN(CC=C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 14964996 KYMHKYJGZFJZDB-QGZVFWFLSA-N 342.414 2.255 30 50 EEEA CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(F)c(C#N)c1 375132650 RYBIIRYBJFOQQU-KRWDZBQOSA-N 337.354 2.010 30 50 EEEA CC#CC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 801184946 ISSWIBJMCVCXHJ-HNNXBMFYSA-N 336.395 2.391 30 50 EEEA C#CCCC1(CCC(=O)NC[C@@H](Oc2ccccc2)C(=O)OC)N=N1 2325892262 GPMPZVFLKMXUKJ-OAHLLOKOSA-N 343.383 2.079 30 50 EEEA Cc1ccc(S(=O)(=O)OC[C@H](O)COCc2ccccc2)cc1 2504680 HBMUWOSOGHUWSS-MRXNPFEDSA-N 336.409 2.278 30 50 EEEA N#CCCN(/N=C/c1ccccc1)C1=NS(=O)(=O)c2ccccc21 2969610 FJGYFCWNGVWZEO-CPNJWEJPSA-N 338.392 2.385 30 50 EEEA COC(=O)c1sccc1N/N=C(\C)c1ccc(O)c(C(N)=O)c1 55459210 VPYIUXBNVBKCCY-CAOOACKPSA-N 333.369 2.175 30 50 EEEA C=CCn1cc(CN2CCN(c3ccc(C(C)=O)cn3)CC2)c(C)n1 65528493 XRWSXYWPFPFGNB-UHFFFAOYSA-N 339.443 2.297 30 50 EEEA C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC[C@H]1COC 952961187 USJHIVVHFCTULF-AWEZNQCLSA-N 330.475 2.092 30 50 EEEA CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CSCCS1 217173167 GPJLQNNLTVQCOQ-MRXNPFEDSA-N 349.525 2.297 30 50 EEEA Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1NCC(=O)OC(C)(C)C 169989600 QIDGTRMJEWBLAO-UHFFFAOYSA-N 348.252 2.443 30 50 EEEA in-vitro N#CC1(c2nc(-c3cccc(CN4CCCC4)c3)no2)CCNCC1 2325799581 JDKQKFQWAWBWJU-UHFFFAOYSA-N 337.427 2.477 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)Cc2ccccc2[N+](=O)[O-])cc1 4906369 NUUYRJBBBVNFLK-UHFFFAOYSA-N 329.312 2.010 30 50 EEEA N#Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)ccn1 348252343 BKJDNIOSMKIXFI-BBRMVZONSA-N 329.306 2.180 30 50 EEEA COC(C)(C)C(=O)N1C[C@H](C2CC2)[C@@H](Nc2ccc(C#N)cn2)C1 92020411 RWZXYBNHTKNSFY-CABCVRRESA-N 328.416 2.027 30 50 EEEA N#Cc1nccnc1N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 670467113 ZXVGPHHBGLVUQF-ZDUSSCGKSA-N 333.355 2.177 30 50 EEEA C#CCOc1ccccc1NC(=O)N1CCC(c2nncn2C)CC1 188116658 WKMDBHFFTUUWOR-UHFFFAOYSA-N 339.399 2.239 30 50 EEEA CN1CCN(C(=O)Cc2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)CC1 193085491 GSYLUWFEHBAREI-MJGOQNOKSA-N 340.471 2.497 30 50 EEEA CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccccc3)NC[C@H]2C1 133854581 OFJUOFYPAHWBPU-HNNXBMFYSA-N 330.432 2.067 30 50 EEEA O=C(Nc1nnnn1/N=C/c1ccccc1F)c1ccc(F)cc1 305846 SJVSQBMXJHKCMF-GIJQJNRQSA-N 328.282 2.086 30 50 EEEA C#CCN1C(=O)S/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 1139644 VPEFCNNHCRZQBW-NTEUORMPSA-N 333.365 2.382 30 50 EEEA C#CCOc1cc(C(=O)N2CCC[C@]3(CCC[C@H]3O)C2)ccc1OC 1704300707 UZRPBGZGWPMLKY-UYAOXDASSA-N 343.423 2.474 30 50 EEEA C=CCc1cc(CN2CCC3(CC2)CC(=O)NCCO3)ccc1OC 1857702153 BPAXMOIUPBLHBY-UHFFFAOYSA-N 344.455 2.295 30 50 EEEA CCO[C@@H]1C[C@H](N(C)/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)C12CCC2 330057426 XLMIRDVVWJUGDW-VNQPRFMTSA-N 332.448 2.461 30 50 EEEA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc(C)c(C#N)cn2)C3)o1 952886723 QSXMCWNEUMDCIY-KSSFIOAISA-N 337.383 2.147 30 50 EEEA C=CCn1c(SCC(N)=O)nnc1-c1cc(Cl)ccc1OC 6726702 XUJIQFVKGIZCEI-UHFFFAOYSA-N 338.820 2.371 30 50 EEEA Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3ccc(C#N)nc3)CC2)n1 225814100 AVERVHIGIMQYFY-UHFFFAOYSA-N 338.371 2.200 30 50 EEEA COc1ccc(CNC(=O)CSc2nnc(C)c(C)c2C#N)cc1 192769590 NJCXOOWDQAVWSS-UHFFFAOYSA-N 342.424 2.382 30 50 EEEA N#Cc1cncc(N2C[C@H](O)C[C@@H]2c2ccc(Br)cc2)n1 1875288170 QABXPOMZIHYKAG-ZIAGYGMSSA-N 345.200 2.423 30 50 EEEA COc1cc(/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)on1 328630030 PKDJNJHFPUJLAR-QMMMGPOBSA-N 344.293 2.466 30 50 EEEA CC1(C)CN(/C(O)=N/Cc2noc(C3CC3)n2)C[C@@H](C(F)(F)F)O1 330208643 GXELXCQKEPDMCE-VIFPVBQESA-N 348.325 2.403 30 50 EEEA Cc1nc(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)ccc1C#N 282678999 WPRLXOIKESLWPP-WBVHZDCISA-N 325.343 2.349 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)CC[C@H]3CCOC3)CC2)c(F)c1 177058254 MHGHKBBECIENLN-AWEZNQCLSA-N 331.391 2.163 30 50 EEEA C#CCNC(=O)c1ccc(N[C@@H](C)[C@@H](O)c2ccc(F)cc2)nc1 189629497 VVEJTBDJJAENED-YVEFUNNKSA-N 327.359 2.118 30 50 EEEA COC(=O)[C@H](OC(=O)c1c(F)cc(N)cc1F)c1cccc(C#N)c1 751666339 ILJLQGIQTIVHED-OAHLLOKOSA-N 346.289 2.490 30 50 EEEA C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ccc(CC)s2)CC1 1196437886 IHIUVELLAPYTJV-CQSZACIVSA-N 349.500 2.149 30 50 EEEA CS(C)(=O)=NC[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1 952992201 BJEDJQOZVFCMPD-GFCCVEGCSA-N 336.417 2.410 30 50 EEEA N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cnc3c(c1)C(=O)CCC3)C2 1875271766 FASBLBGCVGBZBL-MRXNPFEDSA-N 331.375 2.369 30 50 EEEA C[C@@H]1c2ccc(C#N)n2CCN1C(=O)[C@@]1([C@@H]2CCCCO2)CCCO1 1875405744 NKRKGCDKRWNTLI-LJHODMEESA-N 343.427 2.381 30 50 EEEA C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(Cc2ccc(F)cc2)CC1 282257352 GMOBXMWNTDRBFH-ZDUSSCGKSA-N 339.436 2.217 30 50 EEEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1 239125213 KCZFLFYOLLDLKV-GCDYTGCUSA-N 343.364 2.043 30 50 EEEA CCC#CCN1CCCN(C(=O)COc2cccc(OC)c2)CC1 1529191445 YTCMHTJOEDVHIN-UHFFFAOYSA-N 330.428 2.022 30 50 EEEA C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 110625581 OOVKCGHONIAULK-SMDDNHRTSA-N 341.864 2.172 30 50 EEEA COc1cc(NS(=O)(=O)c2cn(C(C)C)cn2)c(F)cc1C#N 864090880 CSIBWCLNEBWSAX-UHFFFAOYSA-N 338.364 2.284 30 50 EEEA Cc1noc(C[C@@]2(O)CCCN(c3c(C#N)cnc4ccccc34)C2)n1 886079367 JGWVHTZNBCPZER-IBGZPJMESA-N 349.394 2.372 30 50 EEEA CCc1nn(C)cc1/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328628370 NRNCFZOHGGNEOX-YOEHRIQHSA-N 327.432 2.375 30 50 EEEA C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC2(CCOCC2)O1 365586794 PLXHTIFTIIKYJP-OAHLLOKOSA-N 328.412 2.287 30 50 EEEA Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 370983956 DFQOMYHOAVUINV-INIZCTEOSA-N 338.386 2.495 30 50 EEEA C[C@@H]1[C@H](N2CCOCC2)CCN1CCCOc1ccc(C#N)cc1 377672692 LRABKELZGRXOSE-VQIMIIECSA-N 329.444 2.122 30 50 EEEA CO[C@H]1C[C@H](c2nnc(C)o2)N(c2snc(Cl)c2C#N)C1 1775957201 IOYBFZHBERZVRH-IONNQARKSA-N 325.781 2.326 30 50 EEEA CN(C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@@H]2C1(F)F 2325792150 GIHILAWFWWTFKP-RYPNDVFKSA-N 325.403 2.218 30 50 EEEA C=CCNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 2966442 KVXAPFYLIVCPJB-UHFFFAOYSA-N 348.399 2.323 30 50 EEEA Cc1nsc(NCc2ccccc2S(=O)(=O)N(C)C)c1C#N 253415443 SYTJIRFYVFUZKY-UHFFFAOYSA-N 336.442 2.186 30 50 EEEA C#CCNC(=O)[C@H](C)Nc1cnn(-c2ccccc2Br)c1 126513335 DCRHTETYQPPUTJ-NSHDSACASA-N 347.216 2.185 30 50 EEEA C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 168972893 LSNMWEDSBKMRCC-QMTHXVAHSA-N 327.837 2.102 30 50 EEEA N#Cc1ccc(CN2CC[C@@H](NCc3cccc4nccn34)C2=O)cc1 192242045 MQESRCFVUBTYIP-GOSISDBHSA-N 345.406 2.097 30 50 EEEA NC(=NOC[C@H]1C[C@@H](O)C1)c1ccc(OCc2cccnc2)cc1 2325753029 UGXUSWDRDXDHQK-FZNQNYSPSA-N 327.384 2.068 30 50 EEEA CC[C@@H]1CCc2nc(N)c(C#N)c(-c3cn(CCO)nc3C)c2C1 71764264 PQKPAPSJNXBWBU-GFCCVEGCSA-N 325.416 2.215 30 50 EEEA CCn1ccnc1[C@@H](NCc1cc(C#N)n(C)c1)C1CCOCC1 284832388 VXPQRCPFEDUGHT-KRWDZBQOSA-N 327.432 2.371 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cc(Br)ccn1 295688225 WHSARXCFUKGRBJ-CHWSQXEVSA-N 325.206 2.442 30 50 EEEA Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1cccc(C#N)c1 183692734 IUPFAVQSMCUAFE-QGZVFWFLSA-N 337.354 2.319 30 50 EEEA CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(N)=S)c2C)cc1 447491 FVZWGZOXCZCEQM-VXLYETTFSA-N 344.440 2.438 30 50 EEEA C=CCCCCCS(=O)(=O)N1CC[C@H](Cc2cnn(C)c2)C1 1775992045 WVCFSCIEZMKRMO-OAHLLOKOSA-N 325.478 2.361 30 50 EEEA Cc1onc(CC(=O)N(CCc2ccccc2)[C@H]2CCOC2)c1C#N 354558003 WRINKPRUZJJFQH-INIZCTEOSA-N 339.395 2.257 30 50 EEEA CCCc1ccc(S(=O)(=O)N/N=C(\C)c2cn(C)nc2C)cc1 6937161 NYCSDVVMIJQCSO-SFQUDFHCSA-N 334.445 2.384 30 50 EEEA N#CC1(CS(=O)(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)CCCC1 262380997 GZVSWMLEFIXKAC-RDBSUJKOSA-N 340.445 2.118 30 50 EEEA N#CC1(c2ccccn2)CCN(C(=O)[C@@H](O)Cc2ccccc2)CC1 374309179 GRTHLRFBYDDBKN-KRWDZBQOSA-N 335.407 2.069 30 50 EEEA Cc1ccc(C(=O)N2CC(=O)N(c3ccccc3C#N)C[C@H]2C)c(O)c1 77457520 QPOBKIHIIGPWAS-CQSZACIVSA-N 349.390 2.450 30 50 EEEA Cc1cc(Br)ccc1NC(=O)Cn1cnc(C#N)c1C#N 180418839 VTTRJDGNTHHEEU-UHFFFAOYSA-N 344.172 2.336 30 50 EEEA N#Cc1ccc(CSc2nc(=O)n3ncc(C#N)c3[nH]2)c(Cl)c1 2325863690 UBNAVZMBLKGDEJ-UHFFFAOYSA-N 342.771 2.107 30 50 EEEA C=CCn1c(Cc2cccs2)nnc1SCC(=O)NC1CC1 6699178 RIYBCTNUBPNYPJ-UHFFFAOYSA-N 334.470 2.487 30 50 EEEA Cc1cc(C)nc(/N=C(\N)N2CCN(c3ccccc3F)CC2)n1 54253634 URAJOMXGEKTMTN-UHFFFAOYSA-N 328.395 2.001 30 50 EEEA OC(=Nc1ccn2ccnc2c1)N[C@@H]1CCOC2(CCOCC2)C1 329505713 IRWKVDBMUZOEET-CQSZACIVSA-N 330.388 2.198 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1 12343815 XPYAHWQXVQSKHJ-UHFFFAOYSA-N 330.409 2.081 30 50 EEEA Cc1c(Cl)cnc(N2CCCC[C@H]2C(=O)N2CCOCC2)c1C#N 253426327 DWDLHCXPEAFLJV-HNNXBMFYSA-N 348.834 2.133 30 50 EEEA CO[C@@H]1C[C@@H](c2nncn2C)N(Cc2ccc(Cl)cc2C#N)C1 331799818 IJCKNFLHDFPLAM-CABCVRRESA-N 331.807 2.302 30 50 EEEA N#Cc1ccc(O[C@@H]2CCN(c3nc4ccccn4c3C#N)C2)nc1 366176671 GMZGNJOYGMOSCD-CQSZACIVSA-N 330.351 2.130 30 50 EEEA N#CC1(C(=O)NC[C@H]2CCCN(c3ccccc3)C2)CCOCC1 369311147 FAQFNFMDCLWYFP-MRXNPFEDSA-N 327.428 2.340 30 50 EEEA Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2c[nH]c(C#N)c2)cc1 181333946 SBMJZZWCRTYFLT-HNNXBMFYSA-N 340.408 2.349 30 50 EEEA Cn1cc([C@H]2CSCCN2CC(=O)Nc2sccc2C#N)cn1 191219579 AWTVPMYSEVXZTC-CYBMUJFWSA-N 347.469 2.082 30 50 EEEA C=CCCCS(=O)(=O)N[C@H](c1cccc(OC)c1)c1nccn1C 813646053 FGTWVJZYGXSEGW-MRXNPFEDSA-N 349.456 2.404 30 50 EEEA C#CCCCCC(=O)Nc1ccccc1C(=O)N1CCC[C@@H](O)C1 952877801 VUUNDKYWDGJGLO-OAHLLOKOSA-N 328.412 2.416 30 50 EEEA C=CCn1nnc(NC(=O)COc2c(C)cc(Cl)cc2Cl)n1 10149036 DFMSOMJWXRKQOV-UHFFFAOYSA-N 342.186 2.492 30 50 EEEA N#Cc1ccc(S(=O)(=O)N2CCO[C@H](Cc3ccccc3)C2)s1 331726949 NVCXROGSTJPUFI-CQSZACIVSA-N 348.449 2.252 30 50 EEEA CN(C)Cc1nnc(C2CCN(Cc3ccc(C#N)cc3)CC2)n1C 77357452 UBIRJGSUPNVIDL-UHFFFAOYSA-N 338.459 2.128 30 50 EEEA C=C[C@H](Nc1ccc(NC(=O)c2cccnc2)c(OC)c1)C(=O)OC 241231018 KRHJSEVYNUWMBW-AWEZNQCLSA-N 341.367 2.482 30 50 EEEA CS(=O)(=O)N(Cc1ccccc1C#N)Cc1ccccc1C#N 47613801 GODFJGKLLRNGCX-UHFFFAOYSA-N 325.393 2.392 30 50 EEEA COc1ccc(CN[C@@H]2CCO[C@@H](c3cncn3C)C2)cc1C#N 275662341 VCZMXUSLXVAMHR-CRAIPNDOSA-N 326.400 2.310 30 50 EEEA C=CCNC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 5676533 VTINVXWCVGOSCN-UHFFFAOYSA-N 337.228 2.062 30 50 EEEA CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)/C(O)=N/[C@H]1C=CCCC1 328623901 CCKIPEHGOUPOJN-ZOBUZTSGSA-N 349.454 2.287 30 50 EEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc(CC#N)cc3)nn(C)c21 1875300031 IDEKAHTWDHMQGV-OLZOCXBDSA-N 338.411 2.438 30 50 EEEA C#CCCC1(CCNC(=O)c2[nH]cnc2C(=O)c2ccccc2)N=N1 2325891074 PHNHVINGGOKFIB-UHFFFAOYSA-N 335.367 2.336 30 50 EEEA COC(=O)CCC/C=C1/SC[C@@H](NC(=O)c2ccccc2)C1=O 2896923 REWMSZNKXQXWJY-OZYJXZHSSA-N 333.409 2.328 30 50 EEEA biogenic C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2C#N)C[C@H]1C(N)=O 285406478 HGWYOIFGVDVEDT-FZKQIMNGSA-N 333.391 2.419 30 50 EEEA N#Cc1c[nH]c(C(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)c1 177854267 TTZVTVUEJLHXQO-UHFFFAOYSA-N 337.383 2.228 30 50 EEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1ccc([N+](=O)[O-])s1 244701256 KCZFLFYOLLDLKV-FRVSTRGASA-N 343.364 2.043 30 50 EEEA CCOC(=O)C1=C(/C=C/N(C)C)N/C(=C/c2ccc(OC)cc2)C1=O 19638512 XROOINFSXRKWSZ-NJLIKGMNSA-N 342.395 2.101 30 50 EEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 4113617 JBESNXINOYGXMX-INIZCTEOSA-N 346.383 2.451 30 50 EEEA O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1F)c1ccccc1 6813770 VNZWNTIZDARYGH-MRXNPFEDSA-N 341.338 2.396 30 50 EEEA N#CC1(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CCOCC1 136444369 ZQOGJVLBYHJOAD-QGZVFWFLSA-N 346.402 2.418 30 50 EEEA N=C(O)[C@@H]1CCCC[C@@H]1/N=C(/O)Nc1ccc(C(F)(F)F)nn1 329957652 QFDSMHVGMUBORP-SFYZADRCSA-N 331.298 2.915 30 50 EEEA CC(=O)N1CC[C@@H](C/N=C(/O)c2cc(N(C)C)nc3ccccc23)C1 328591793 KOEUSENENPLMCN-AWEZNQCLSA-N 340.427 2.474 30 50 EEEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/Cc1ccoc1 328628908 OEBVDSUOLPFPII-DOTOQJQBSA-N 345.447 2.442 30 50 EEEA C=CCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 252517876 UDJNVYHVFDOHDD-KKUMJFAQSA-N 325.474 2.427 30 50 EEEA Cc1onc(CC(=O)N(CCc2ccccc2)[C@@H]2CCOC2)c1C#N 354558004 WRINKPRUZJJFQH-MRXNPFEDSA-N 339.395 2.257 30 50 EEEA COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C#N)CC2)cc1 77523747 POINAOVIYFPAFT-UHFFFAOYSA-N 349.390 2.307 30 50 EEEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1nccn1C(F)F 281788379 LDFMBIWVWSYJID-AAEUAGOBSA-N 328.363 2.401 30 50 EEEA CC1(C#N)CN(C(=O)Nc2ccncc2I)C1 285372158 DLQQUGYCCOMJHG-UHFFFAOYSA-N 342.140 2.064 30 50 EEEA Cc1ccc(C2(O)CCN(C(=O)Nc3ccc(C#N)nc3)CC2)nc1 95512415 ZALNVECBXXQFEX-UHFFFAOYSA-N 337.383 2.172 30 50 EEEA C=CCOC(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 95495848 YVDKJBCVARAHIJ-LLVKDONJSA-N 330.381 2.047 30 50 EEEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C12CC2 245226545 BAOWMYTUKUMZDC-ORHQUURESA-N 337.335 2.126 30 50 EEEA C#CC[C@H](CO)NC(=O)Cc1csc(COc2ccc(C)cc2)n1 408517608 NNKZGBNSKYBRJI-CQSZACIVSA-N 344.436 2.073 30 50 EEEA COc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2)cc1 4260833 FIBMEBJOBGQTJW-VCHYOVAHSA-N 329.381 2.082 30 50 EEEA C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2Cl)C1=O 330815267 MGNUFZDKXTVOCR-ZDUSSCGKSA-N 342.848 2.056 30 50 EEEA C#CCCC1(CCC(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)N=N1 952879701 GKBKJZKTBVUCOZ-OAHLLOKOSA-N 343.431 2.293 30 50 EEEA C#CCCCS(=O)(=O)Nc1nc(-c2ncccc2Cl)ns1 888096832 NTUVYHGISFZRTI-UHFFFAOYSA-N 342.833 2.409 30 50 EEEA C=CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 248181170 DPJIXIHIDJXSFS-CWRNSKLLSA-N 349.452 2.000 30 50 EEEA COC(=O)c1cc(C#N)c(N2CCC[C@@H](c3ccn[nH]3)C2)nc1C 67446693 CYDCYJHCTWPFQO-GFCCVEGCSA-N 325.372 2.155 30 50 EEEA C=CCN1C[C@@H]2CN(C(=O)c3cccc(C)c3Cl)C[C@]2(C(=O)O)C1 91915399 YBTOCIKDVUQUQV-FZKQIMNGSA-N 348.830 2.293 30 50 EEEA COc1cc(/C=N/n2c(S)nnc2-c2cccnc2)ccc1O 1307005 DZKPROZJKUMSMZ-CAOOACKPSA-N 327.369 2.225 30 50 EEEA C=CCN(CC=C)C(=O)[C@H]1CC(=O)c2sc(NC(=O)CC)nc2C1 12281175 BKEJBBNBOOAQLA-LLVKDONJSA-N 347.440 2.437 30 50 EEEA COC(=O)CC(C)(C)/C(C)=N/NS(=O)(=O)c1ccc(C)cc1 15746102 CYCLBIGUAFAYPH-FOWTUZBSSA-N 326.418 2.239 30 50 EEEA CC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccccc1C#N 18094137 LXEAHMJGOWNALV-CYBMUJFWSA-N 328.397 2.459 30 50 EEEA N#Cc1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)sc2c1CCCC2 1070326 WMVCDGIGGWWSJL-UHFFFAOYSA-N 331.357 2.242 30 50 EEEA CC1(C)CC(=O)C=C(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)O1 67773797 XRLYYOLMDGPIGI-CQSZACIVSA-N 346.427 2.260 30 50 EEEA Cn1cnnc1[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CCO1 328638198 PBLFSYPHJJWPTH-INIZCTEOSA-N 325.416 2.190 30 50 EEEA C=CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 3050859 MFUBKRCYSJEABV-UHFFFAOYSA-N 330.409 2.184 30 50 EEEA CO[C@@H](C(=O)N1CCN(c2ccccc2C#N)C(=O)C1)c1ccccc1 82115068 JCRQOVYYUZPCRD-LJQANCHMSA-N 349.390 2.121 30 50 EEEA C=CCCC(=O)N1CCN(C(=O)CCC=C)[C@@H](c2nccn2C)C1 408514555 NGRDNIKWYCSHHW-OAHLLOKOSA-N 330.432 2.064 30 50 EEEA CC(=O)Nc1cc(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)ccc1C 194813677 RRDPVIRNHVCIEG-MRXNPFEDSA-N 335.429 2.266 30 50 EEEA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1nccs1 12403887 JSMRRNCPZYWYSQ-PTNGSMBKSA-N 330.329 2.242 30 50 EEEA C[C@@H]1CC(C/N=C(/O)N2CCCN(CC(F)F)CC2)C[C@@H](C)O1 328587913 IVRSAPQPWXAVHD-CHWSQXEVSA-N 333.423 2.377 30 50 EEEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2ncon2)C1 2325774393 YNAZIDNYTBWGLE-JSGCOSHPSA-N 326.356 2.115 30 50 EEEA CCOC(=O)[C@@H]1C(=O)C=C(N2CCOCC2)C[C@@H]1c1ccccc1 227640 GNBGVXYUAWIXRL-AEFFLSMTSA-N 329.396 2.138 30 50 EEEA N/C(CN1CCCC1=O)=N\OC(=O)c1ccc(Cl)c(Cl)c1 4171170 YDXNYZQMOMQANF-UHFFFAOYSA-N 330.171 2.045 30 50 EEEA C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(Br)c(F)c1 132052168 VOFRSTMBGLOJLS-QMMMGPOBSA-N 342.168 2.287 30 50 EEEA N#Cc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 223193699 SQDRIEJYLVLNFT-QZTJIDSGSA-N 337.379 2.057 30 50 EEEA N#C[C@@H]1CC[C@@H](N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 293350317 DPXHHBFHTRRXNO-GDBMZVCRSA-N 331.391 2.041 30 50 EEEA Cc1nc(C(=O)N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)cs1 1565508612 YSZMTRMDMMTTKJ-HOCLYGCPSA-N 343.408 2.290 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)N=N1 2325892379 LIMPOUDTYLWZKY-YESZJQIVSA-N 346.475 2.348 30 50 EEEA C=C[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1 390104 QSRVJEVXKKHSJD-LLVKDONJSA-N 342.424 2.138 30 50 EEEA CS(=O)(=O)OCC1CCN(C(=O)OCc2ccccc2)CC1 20286773 IEWBROJCHGYFSK-UHFFFAOYSA-N 327.402 2.011 30 50 EEEA CSCC(=O)N[C@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1C(C)C 91663287 PLMUWACLVBWENY-SJORKVTESA-N 331.485 2.494 30 50 EEEA Cc1ccc(C#N)c(N2CCC[C@H](c3nccn3CCN(C)C)C2)n1 95530181 QEHBZBCMICCVHI-KRWDZBQOSA-N 338.459 2.404 30 50 EEEA C=CCN(Cc1cccs1)C(=O)[C@@H](C)n1cnc2c(N)ncnc21 665865453 FBBXVCZVSPWMAG-LLVKDONJSA-N 342.428 2.246 30 50 EEEA Cc1ccnc(N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)c1C#N 886041117 VNAPMKHRSVZSMR-KRWDZBQOSA-N 337.427 2.376 30 50 EEEA C=C1C[C@]23C[C@@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O 100067115 RSQSQJNRHICNNH-OZGZIUBOSA-N 332.396 2.136 30 50 EEEA N#Cc1c(N)n[nH]c1CCCN=c1ccc2c(Cl)cccc2[nH]1 443415283 FRQAEMMIZACLQZ-UHFFFAOYSA-N 326.791 2.532 30 50 EEEA O=S(=O)(N/N=C\c1cc(Cl)ccc1O)c1ccc(F)cc1 32575689 FUBFJNUJTBFCHQ-PXNMLYILSA-N 328.752 2.497 30 50 EEEA COc1ccc(/C=N/N2CCN(c3ccccn3)CC2)c(OC)c1 5889823 OVGFZELXPPKSKI-XSFVSMFZSA-N 326.400 2.255 30 50 EEEA N#Cc1cccc(CN2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c1 818185772 XEMJGNWURXTEBY-LJQANCHMSA-N 338.411 2.388 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2COc3ccc(OC)cc3C2)N=N1 1180365315 OWOWVWFPQZENAI-CQSZACIVSA-N 327.384 2.328 30 50 EEEA COc1cccc(-c2c(C#N)c(N)nc3c2c(=O)nc2sccn23)c1 19874364 IMEFKZYFVGIUBD-UHFFFAOYSA-N 349.375 2.434 30 50 EEEA N#C[C@]12CCCCC[C@@H]1CN(S(=O)(=O)N1CCC(F)(F)CC1)C2 2325782836 JZBCZBCKEJOZKH-KGLIPLIRSA-N 347.431 2.368 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2CCCN2Cc2ccccn2)N=N1 2325891130 SBEGXDJZYZQOEA-MRXNPFEDSA-N 325.416 2.128 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2CC(=O)c3cc(F)ccc3O2)N=N1 2325891549 NPZWVHTZRJKQSY-OAHLLOKOSA-N 329.331 2.241 30 50 EEEA O=C(O)[C@@H]1CCCN1C(=O)c1ccc(C#CC2(O)CCCCC2)cc1 477068 KBXARVPUNGENRO-KRWDZBQOSA-N 341.407 2.423 30 50 EEEA N#Cc1cc2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)sc2nc1N 20387649 FHQVKXISTUXLJJ-UHFFFAOYSA-N 339.336 2.472 30 50 EEEA COc1nc2ccn(CCc3scnc3C)c(=O)c2cc1C#N 67756062 OIUXMHCHTQSEMZ-UHFFFAOYSA-N 326.381 2.284 30 50 EEEA CC(C)n1cnc(/C(O)=N/C[C@@H]2C[C@H](O)CN2Cc2ccccc2)c1 328586621 LUSHKARWWDGEOW-IRXDYDNUSA-N 342.443 2.404 30 50 EEEA C[C@@H]1CN(c2ccc(C(=O)NC3(C#N)CCCC3)cn2)C[C@@H](C)O1 124787878 DAYMXDMIQOYTHX-ZIAGYGMSSA-N 328.416 2.261 30 50 EEEA N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC=C(F)C2)c1 364967281 BCUSRCQARYLBCA-MRXNPFEDSA-N 327.359 2.135 30 50 EEEA N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cncc(F)c2)c1 376741110 DDZMSLFARSXYQI-MRXNPFEDSA-N 338.342 2.222 30 50 EEEA CC(C)(C)OC(=O)NCc1cnccc1B1OC(C)(C)C(C)(C)O1 198023431 LNJAORDUGNFOAD-UHFFFAOYSA-N 334.225 2.406 30 50 EEEA C#CCOc1ccc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)cc1 408517462 ILDPRVVBGKMMMW-WMZOPIPTSA-N 339.395 2.082 30 50 EEEA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 275687321 QQXIDDHEAVLXAB-MRXNPFEDSA-N 336.395 2.313 30 50 EEEA N#C[C@@H]1CN(C(=O)NCc2csc(-c3ccccc3)n2)CCO1 115831867 WVEQXDAQNRUPSS-CQSZACIVSA-N 328.397 2.244 30 50 EEEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)c1cnc(C#N)cn1 328651959 WFFDIDMJJOACET-JSGCOSHPSA-N 331.420 2.459 30 50 EEEA Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1 363395755 MRSNYAJELDFULM-INIZCTEOSA-N 337.427 2.226 30 50 EEEA N#CCCCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 2841564 WFLGBQKVAJOEKU-IBGZPJMESA-N 335.363 2.193 30 50 EEEA Cn1/c(=N/N=C/c2ccc(OCC(N)=O)cc2)sc2ccccc21 4818984 VWTSEIJOYQPWDD-HCDAPJTOSA-N 340.408 2.039 30 50 EEEA COc1nc2ccn(CCCCN3CCCC3)c(=O)c2cc1C#N 67688368 QRUFOERBJFNWPT-UHFFFAOYSA-N 326.400 2.153 30 50 EEEA C=CCOC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 4899911 YVDKJBCVARAHIJ-NSHDSACASA-N 330.381 2.047 30 50 EEEA biogenic CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(OC)c(C#N)c1 275481582 IJEJWJCXRABKOW-RDJZCZTQSA-N 326.400 2.403 30 50 EEEA CCn1cc([C@@H]2OCCC[C@H]2CN=c2cc(C)[nH]cc2C#N)cn1 886074514 ADRBXOLKAOCFPY-KBXCAEBGSA-N 325.416 2.480 30 50 EEEA OC(=Nc1ccccc1CN1CCN=C1O)N[C@H]1CCO[C@H]1C1CC1 328587434 SBMLXNMXBIFKTF-HOTGVXAUSA-N 344.415 2.119 30 50 EEEA C=CCc1cc(-c2cn(CCN3CCOCC3)nn2)ccc1OC 91644512 KLQKEDFDHNYIGX-UHFFFAOYSA-N 328.416 2.014 30 50 EEEA N#Cc1ccc(CN2CCN(C3CC3)C(=O)C2)c(Br)c1 225560222 LZNJTNSXMHVRSQ-UHFFFAOYSA-N 334.217 2.127 30 50 EEEA C#Cc1ccnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3F)C2)c1 1875334901 JQFNXTJRQKSOMY-HNNXBMFYSA-N 337.354 2.189 30 50 EEEA CCOc1ccc(F)cc1C(=O)c1cc(C#N)c(=O)n(CCOC)c1 225499817 XBTSEAUEDNTBHV-UHFFFAOYSA-N 344.342 2.135 30 50 EEEA COc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 100418177 JNPHGJCWXCZFFW-ZDUSSCGKSA-N 342.395 2.413 30 50 EEEA N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1390013 CFDCRZVGLHNVJX-UHFFFAOYSA-N 327.409 2.069 30 50 EEEA CC(C)(C#N)CCCN1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 328639868 PSXVELXGTFAVFX-CYBMUJFWSA-N 331.420 2.429 30 50 EEEA N#Cc1cccc([C@H]2c3nc[nH]c3CCN2Cc2cccnc2N)c1 72422280 XXBQHDCMSQPUAD-SFHVURJKSA-N 330.395 2.406 30 50 EEEA N#Cc1cccc(N2CCCN(C(=O)CCc3cccnc3)CC2)n1 1772819127 FLMSIKXYEBZGPD-UHFFFAOYSA-N 335.411 2.020 30 50 EEEA CCCCCCCC(=O)N1CCN(C2CCS(=O)(=O)CC2)CC1 1776005808 IFEDJEBWLYNYSZ-UHFFFAOYSA-N 344.521 2.068 30 50 EEEA CN1Cc2ccccc2[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 374355729 ZIQCWKJEDWQBPL-GOSISDBHSA-N 341.436 2.164 30 50 EEEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)c1cc(C2CC2)n[nH]1 77424336 QUQBHMGNABAXNN-GFCCVEGCSA-N 349.394 2.036 30 50 EEEA CN(c1ccc(OC[C@@H]2CO2)cc1)S(=O)(=O)c1ccccc1F 1875378588 HADBJWHWHJPIMA-CQSZACIVSA-N 337.372 2.428 30 50 EEEA CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)Nc2ccn(CCC#N)n2)C1 119749572 NFVBCTJVTLKXLI-CYBMUJFWSA-N 347.419 2.382 30 50 EEEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)NC[C@H]1CCOC1 328641008 XTGADRSUOVOTDA-WDEREUQCSA-N 346.353 2.004 30 50 EEEA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1C#N 365975401 ZVVUUMVTFAPUBG-FYCOFBDGSA-N 339.439 2.283 30 50 EEEA Cn1cc(CNC[C@@H]2CCN(C(=O)Cc3ccccc3)C2)cc1C#N 373625218 UTWAIWCQGRBFFR-KRWDZBQOSA-N 336.439 2.078 30 50 EEEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237679970 MSGYXDDJAFITHL-KBPBESRZSA-N 330.384 2.429 30 50 EEEA C[C@H]1Cc2ccccc2CN1C(=O)CNC(=O)c1ccc(C#N)cc1 185853014 VUFLXKQLZAVAJT-AWEZNQCLSA-N 333.391 2.261 30 50 EEEA Cc1noc(C[C@]2(O)CCCN(Cc3ccc(Cl)cc3C#N)C2)n1 886080237 QWIGCQMVTMALOE-QGZVFWFLSA-N 346.818 2.473 30 50 EEEA COCCn1cc([C@H]2OCC[C@@H]2NCc2cccc(C#N)c2F)cn1 888076753 YQEIAVAJMIIDNT-FUHWJXTLSA-N 344.390 2.160 30 50 EEEA C#CCCC1(CCNC(=O)[C@@]2(C(=O)O)C[C@H]2c2ccccc2)N=N1 2325900987 PNYDGDRLNYMSSN-KBXCAEBGSA-N 325.368 2.327 30 50 EEEA COc1ccc(/C=N/C(=S)Nc2nc(C)cc(O)n2)cc1OC 6382150 BHILRPRUNFZQKX-LZYBPNLTSA-N 332.385 2.324 30 50 EEEA CC(C)N1CCC[C@@H](CCNS(=O)(=O)c2ccc(C#N)cc2)C1 67783792 AEGJMERTCQUJLZ-INIZCTEOSA-N 335.473 2.347 30 50 EEEA CCOc1ccc(/C(O)=N/[C@@H]2CCO[C@H](c3cncn3C)C2)cn1 328626352 LPMRNTDPONYUGS-HIFRSBDPSA-N 330.388 2.439 30 50 EEEA C=CCO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CCNCC2 299769955 NJUSUHAAWXTAOS-MSOLQXFVSA-N 346.496 2.413 30 50 EEEA CC1(C)OB(c2ccc(Cl)cc2CN2CCOCC2)OC1(C)C 169956016 YXRJYRZYBHPDLB-UHFFFAOYSA-N 337.656 2.471 30 50 EEEA CC(C)[C@H](C#N)N1CCN(CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 252475290 XPTYOSRZUXATPG-FKSLSLAPSA-N 346.519 2.093 30 50 EEEA CC(=O)N1C[C@H](NC(=O)c2cccc(C#N)c2)CC[C@H]1C(F)(F)F 886056827 JEMBQLKRSGKYHV-KGLIPLIRSA-N 339.317 2.230 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C(=O)OC)N=N1 2325892905 POLOMMPEHVCGFE-WBVHZDCISA-N 339.395 2.340 30 50 EEEA N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1[C@H]1COCC[C@@H]1O 253395426 DOLJQMUTIKXPPW-UPJWGTAASA-N 341.333 2.338 30 50 EEEA CCN1CCN(/C(O)=N/Cc2ccsc2)C[C@H]1c1nccn1C 328625970 LGGLJQFKYCPLKN-AWEZNQCLSA-N 333.461 2.274 30 50 EEEA N#Cc1cccc(-c2cnc(CNc3ncc([N+](=O)[O-])s3)[nH]2)c1 373869296 KTDONHRSHOBZOG-UHFFFAOYSA-N 326.341 2.925 30 50 EEEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccc(-n2cnnn2)cc1O 71746062 XRGFQNVRMWOSOB-CHWSQXEVSA-N 325.372 2.103 30 50 EEEA CN(C)/C(=N\S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 96436837 BMXJQZUPKZKPPK-NXVVXOECSA-N 333.369 2.292 30 50 EEEA CCn1cc(CN2C[C@H](c3ccc(C)o3)[C@@H](NC(C)=O)C2)cc1C#N 249695903 RUJSUQQPBYWRMM-ROUUACIJSA-N 340.427 2.385 30 50 EEEA CC[n+]1c(C)n(CCCS(=O)(=O)O)c2cc(C#N)c(Cl)cc21 3121728 KXCAFXJWXJQOGY-UHFFFAOYSA-O 342.828 2.060 30 50 EEEA Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)N(C)C[C@@H](C)C#N)CCC2 253397649 JRTJIMNIUFLGKF-GWCFXTLKSA-N 342.490 2.097 30 50 EEEA N#Cc1ccc(C(=O)N2CCN([C@@H]3CCc4ccccc4C3)CC2)cn1 72162661 SIMUYVDMWYCAGL-HXUWFJFHSA-N 346.434 2.269 30 50 EEEA COc1ccc(CN[C@H]2CS(=O)(=O)c3ccccc32)cc1C#N 364053289 GTOYXRJUQRDSEW-HNNXBMFYSA-N 328.393 2.185 30 50 EEEA Cc1c(Cl)cnc(N2CCN([C@H]3CCCN(C)C3)CC2)c1C#N 371692662 LLHQJDOJKUZZPH-AWEZNQCLSA-N 333.867 2.131 30 50 EEEA COc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1C#N 284511431 DGYYTKHDTITYGJ-SCTDSRPQSA-N 330.428 2.319 30 50 EEEA CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCCO1 294149359 OUDZHEHPZYHKDW-HNNXBMFYSA-N 326.393 2.133 30 50 EEEA CC[C@@H](O)CN1CCN(c2ccc(Br)cc2C#N)CC1 302205046 WRAONVZALCZBEN-CQSZACIVSA-N 338.249 2.214 30 50 EEEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1cnc2ccccn12 328628763 OBQDRRVUZDVGNM-WFASDCNBSA-N 325.372 2.386 30 50 EEEA CC(=O)NCc1c[nH]nc1[C@@H]1CCN(c2cccc(F)c2C#N)C1 952890334 XUNGNIZFUZQGCA-GFCCVEGCSA-N 327.363 2.050 30 50 EEEA CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ncccc1C#N 952880845 MEYLNSWUXRAZPI-LLVKDONJSA-N 336.321 2.306 30 50 EEEA N#Cc1ccccc1CN1CC[C@]2(C1)C(=O)N(CCO)c1ccccc12 2100555584 XVODKIGFVOLMFZ-OAQYLSRUSA-N 347.418 2.041 30 50 EEEA C#CCCC1(CCNC(=O)C2(c3cccc(C(=O)O)c3)CC2)N=N1 2325900728 HKONARXHTCDORN-UHFFFAOYSA-N 325.368 2.498 30 50 EEEA N#C[C@]1(C(=O)N(CCN2CCOCC2)CC2CC2)CC2CCC1CC2 912683876 PAZFNOQOYQKSSA-OUNSHVDWSA-N 345.487 2.277 30 50 EEEA CC(=O)N1CCN([C@@H]2CN([C@H](C)c3ccc(C#N)cc3)C[C@H]2C)CC1 257366200 MWKRHWKBSWNBNK-JXXFODFXSA-N 340.471 2.104 30 50 EEEA C/C(N)=N\C(=O)c1cn2c(n1)-c1ccc(Br)cc1OCC2 225787325 QQBPRBQFQKYQST-UHFFFAOYSA-N 349.188 2.222 30 50 EEEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](CCC(=O)O)C1 237680034 MSGYXDDJAFITHL-UONOGXRCSA-N 330.384 2.429 30 50 EEEA N#Cc1cc2n(n1)CCCN([C@H]1CCN(c3ccc(F)cc3)C1)C2 670474116 IULXFCIQBQZALD-KRWDZBQOSA-N 325.391 2.378 30 50 EEEA Cc1nc(-c2ccc(CC/N=C(/N)N3CCOCC3)cc2)cs1 170621537 KUWJSAYKDOUOCP-UHFFFAOYSA-N 330.457 2.308 30 50 EEEA C=CCOc1c(Cl)cc(CNCCN2CCOCC2)cc1OC 19549936 XDAXZOJNYJHBQK-UHFFFAOYSA-N 340.851 2.335 30 50 EEEA N#Cc1ccccc1-c1ccc(CN2CC[C@](O)(c3c[nH]nn3)C2)cc1 284949986 XANNRNONWHCYJI-HXUWFJFHSA-N 345.406 2.437 30 50 EEEA Cc1cc(C[C@H](C)NC(=O)c2cccc(C#CC(C)(C)O)c2)n[nH]1 952980730 YBNQZNLFWMRGEZ-ZDUSSCGKSA-N 325.412 2.202 30 50 EEEA COc1ccc(O)c(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1 442102 QQJPOIRTJHRVAV-CXUHLZMHSA-N 340.788 2.367 30 50 EEEA C#CCCC1(CCNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@@H](C)C2)N=N1 2325891011 LVUDEFHWEPSLJD-JYJNAYRXSA-N 334.464 2.202 30 50 EEEA CCOC(=O)c1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1O 170005393 ZUVXCCHQGHILQP-UHFFFAOYSA-N 343.188 2.416 30 50 EEEA N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CS(=O)(=O)c2ccccc21 118753130 PKWRLGKCBGGRFV-AWEZNQCLSA-N 329.337 2.407 30 50 EEEA CN(Cc1nccc(N)n1)[C@H]1CCCN(c2ccc(C#N)cc2)CC1 328653861 XAWJRSQXDUIDTJ-INIZCTEOSA-N 336.443 2.421 30 50 EEEA Cc1ccc(N2CCC[C@@H](/N=C(/O)CCc3cncn3C)C2)nn1 328586512 XCNSHZMXWRJIKL-CQSZACIVSA-N 328.420 2.077 30 50 EEEA O/C(=N/[C@@H]1CCc2c[nH]nc2C1)N[C@@H]1CCO[C@H]1c1ccccc1 329857114 YWTOOSZBGGDROW-INMHGKMJSA-N 326.400 2.301 30 50 EEEA C=C(C)CN1CCC(NC(=O)NCc2cccc(C(=O)O)c2)CC1 635509547 FKCSDRBQKLLTGK-UHFFFAOYSA-N 331.416 2.225 30 50 EEEA COCc1c(Br)c(C)nc(N2CCOCC2)c1C#N 19798733 ZTFSPMGXQBUBEJ-UHFFFAOYSA-N 326.194 2.007 30 50 EEEA N#Cc1ccc(C(=O)N2CCC[C@]23CCCN(C2CC2)C3=O)c(F)c1 2356137964 CIFPWEYYNLNCKH-IBGZPJMESA-N 341.386 2.457 30 50 EEEA C=CCn1cc(CNC[C@@H](c2ccc(C)o2)N2CCOCC2)c(C)n1 55369605 GVXFSWVYGXMOTB-SFHVURJKSA-N 344.459 2.442 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccccc1C 101992311 BKEPXBJNGPWEGT-RBOXIYTFSA-N 327.380 2.251 30 50 EEEA O/C(=N/[C@@H]1CCCC12CCOCC2)N1CCC[C@H](Cn2ccnn2)C1 328586289 REDBSZZLXOFYKB-JKSUJKDBSA-N 347.463 2.253 30 50 EEEA N#Cc1cc2c(nc1NC[C@]1(N3CCOCC3)CCSC1)CCC2 364649669 FWZYRYQCMXYTLQ-GOSISDBHSA-N 344.484 2.062 30 50 EEEA N#Cc1ccc(N2CCN(c3cc([C@H]4CCOC4)ncn3)CC2)cc1 426726903 PEIHMJYPOWPKOX-INIZCTEOSA-N 335.411 2.179 30 50 EEEA COc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)c(OC)c1 13692384 PTSQENBHQQVMRL-UHFFFAOYSA-N 345.424 2.494 30 50 EEEA CCc1c(C#N)c(N)nc(S[C@@H](C(N)=O)c2ccccc2)c1C#N 19867703 FGQIKVMUUPNDOL-CQSZACIVSA-N 337.408 2.288 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2Cc3ccccc3[C@H]2C(=O)OC)N=N1 2325892902 POLOMMPEHVCGFE-DOTOQJQBSA-N 339.395 2.340 30 50 EEEA CC(C)n1cnnc1CN(C)C(=O)c1cccc(C#CC(C)(C)O)c1 65532154 AAYHDDLZMCPBGG-UHFFFAOYSA-N 340.427 2.254 30 50 EEEA N#CCCN(C(=O)Cn1nccc1[N+](=O)[O-])c1cccc(Cl)c1 119734543 JSYHSMVOJQRJDG-UHFFFAOYSA-N 333.735 2.392 30 50 EEEA CN(C)C[C@]1(O)CCN(C(=O)c2ccc(-c3ccccc3C#N)cc2)C1 426370266 DIOBWPMGCOHKQU-OAQYLSRUSA-N 349.434 2.364 30 50 EEEA COC(=O)c1cccc(S(=O)(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1 170594575 YXPFYUQUHNKCJK-MLGOLLRUSA-N 336.413 2.224 30 50 EEEA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C#Cc1ccccc1 188087930 SZKIXHZJJBDAFG-QFIPXVFZSA-N 348.446 2.134 30 50 EEEA C=C(C)COc1ccccc1C(=O)N1CCOC[C@H]1CC(=O)OCC 55383393 DVZMEVUMFDBWDZ-OAHLLOKOSA-N 347.411 2.436 30 50 EEEA COc1nc2ccn(Cc3cc(C(C)(C)C)n[nH]3)c(=O)c2cc1C#N 67677035 BAFLEGFKSIEIMU-UHFFFAOYSA-N 337.383 2.346 30 50 EEEA C=C(COCOCCOC)COCOCc1ccc(OC)cc1 43199268 BXJREVHXDTVJEV-UHFFFAOYSA-N 326.389 2.379 30 50 EEEA N#Cc1cccc(N2CCc3nnc(CCc4ccccc4)n3CC2)n1 67587552 VTBGPUZQRSBTJQ-UHFFFAOYSA-N 344.422 2.393 30 50 EEEA in-vitro Cc1cc(C#N)ccc1S(=O)(=O)N(C)c1ccc(C(=O)O)cc1 185687882 HGHWRJYMSLYYJC-UHFFFAOYSA-N 330.365 2.390 30 50 EEEA C=CCN(Cc1cccs1)C(=O)[C@H](C)n1cnc2c(N)ncnc21 665865454 FBBXVCZVSPWMAG-NSHDSACASA-N 342.428 2.246 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(c3ccncc3OC)CC2)N=N1 952881412 ODENBLUMCKIPJW-UHFFFAOYSA-N 341.415 2.095 30 50 EEEA N#CCC[C@H]1NC(=O)[C@H](Cc2cccc(Oc3ccccc3)c2)NC1=O 2325783264 JQVHJEMYPPOQLJ-MSOLQXFVSA-N 349.390 2.308 30 50 EEEA C[C@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 237536086 RZXDXYMFUIHLHH-ONGXEEELSA-N 347.362 2.077 30 50 EEEA N#Cc1ccc(C(=O)N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)cn1 378332342 MIKHBUUYJRCFBK-GOSISDBHSA-N 341.798 2.426 30 50 EEEA N#Cc1c(CCCNc2cncc(OC3CCCCC3)n2)n[nH]c1N 170598654 NQBPOQMLKPDPNO-UHFFFAOYSA-N 341.419 2.410 30 50 EEEA N#C[C@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)CCN1Cc1ccccc1 246285069 ABZOTZCHWWBLHM-AZUAARDMSA-N 347.418 2.227 30 50 EEEA C#Cc1ccc(CN2CCC(CCC(=O)NCCOC)CC2)cc1 12196345 FUSXSWWTYUTMIY-UHFFFAOYSA-N 328.456 2.423 30 50 EEEA Cc1noc([C@@H](NC(=O)c2ccc(C#N)cc2C)C2CCOCC2)n1 328609636 FJNMFMQVRYSXHD-INIZCTEOSA-N 340.383 2.456 30 50 EEEA CCOC(=O)N1CCN(C(C)=C2C(=O)c3ccccc3C2=O)CC1 193803 QCUUAGWDFXOFLM-UHFFFAOYSA-N 328.368 2.114 30 50 EEEA C=CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 2875585 RIFHKOWWHBGYCX-UHFFFAOYSA-N 348.399 2.323 30 50 EEEA C=CCN1CC[C@@H](N2CCN(Cc3ccccc3)CC2)CCC1=O 20780986 IAKFLKTVDAVTQZ-IBGZPJMESA-N 327.472 2.371 30 50 EEEA CC#CC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 253392349 XXAOVGIGFUVYRJ-CYBMUJFWSA-N 335.201 2.002 30 50 EEEA Cc1cc(C)c(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(C)c1 15934345 HUGZUMXHLNSBLI-OVCLIPMQSA-N 337.357 2.425 30 50 EEEA CN1CCC[C@@H](CNC(=O)c2cccc(C#N)c2)[C@@H]1c1ccnn1C 284524556 FVMJJTPOUGZFPF-FUHWJXTLSA-N 337.427 2.105 30 50 EEEA CC(C)[C@H]1CN(Cc2cc(C#N)n(C)c2)C[C@@H]1NC(=O)C1CCC1 91494581 LWFJZBWZGOXMKY-MSOLQXFVSA-N 328.460 2.269 30 50 EEEA CC(=NO)c1cc([N+](=O)[O-])ccc1Sc1ncnc(N(C)C)c1N 252426467 CQXQBRJRJNEFIO-UHFFFAOYSA-N 348.388 2.382 30 50 EEEA C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC(=O)N1 1362866155 BXVXFFQGMDZIDT-CYBMUJFWSA-N 334.379 2.262 30 50 EEEA CC(C)(O)C#Cc1cccc(C(=O)N2Cc3ccccc3[C@H](O)C2)c1 1506398969 IVVLTUHDOCANQC-LJQANCHMSA-N 335.403 2.498 30 50 EEEA N#Cc1ccccc1CN1CCC[C@@H](n2ncc(N3CCC3)cc2=O)C1 328604277 JFGFTULYGFLBBT-GOSISDBHSA-N 349.438 2.162 30 50 EEEA N#CCC(=O)Nc1cccc(CN2CCN(c3ccccn3)CC2)c1 252508364 XLNABGPHFASTLE-UHFFFAOYSA-N 335.411 2.256 30 50 EEEA C#CCCC1(CCNC(=O)Cc2csc(C[C@@H]3CCCO3)n2)N=N1 2325901118 UQDABLHRFRDICI-AWEZNQCLSA-N 346.456 2.489 30 50 EEEA CC[C@H](SC)/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1cncnc1 328649857 VGPAXZBHGPYYIS-IHRRRGAJSA-N 326.441 2.487 30 50 EEEA CCn1cnnc1[C@@H]1CN(/C(O)=N/[C@@H]2C[C@@H]2c2ccccc2)CCO1 328625064 KJDWCCPTPYYNRE-OAGGEKHMSA-N 341.415 2.141 30 50 EEEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC1CCN(C)CC1 223879114 BYPGDPVUHPIIDK-UHFFFAOYSA-N 347.264 2.467 30 50 EEEA N#C[C@@]1(NC(=O)c2cccc3c2OCC(=O)N3)CCc2ccccc2C1 183976376 TUJCGHXFEKZSIK-HXUWFJFHSA-N 347.374 2.199 30 50 EEEA C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cc(Br)ccc1F 132354678 QBQFSQBOXOBONN-MRVPVSSYSA-N 342.168 2.287 30 50 EEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccco1 19883764 CIENHCCPHMMPGK-CQSZACIVSA-N 346.408 2.481 30 50 EEEA O=C(N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)[C@@H]1CO1 1875372415 FSQATRZDETZCET-DYVFJYSZSA-N 338.363 2.099 30 50 EEEA COc1cc(/C=N/NC(=S)Nc2cccnc2)cc(OC)c1OC 13685989 LASDRZGAEHBNKK-GIJQJNRQSA-N 346.412 2.428 30 50 EEEA C#CCCC1(CCC(=O)N2CCC3(CC2)OC(=O)NC32CCC2)N=N1 2325886312 IWEZZZBLSZOKAE-UHFFFAOYSA-N 344.415 2.366 30 50 EEEA C#CCCC1(CCC(=O)NC[C@]2(c3ccccc3)COCCO2)N=N1 2325886887 MXGFFSWFJNKLNR-GOSISDBHSA-N 341.411 2.401 30 50 EEEA N#Cc1cc2c(=O)n(Cc3ccccc3-n3cccn3)ccc2nc1O 67872331 HGLIIFCPIDFLLZ-UHFFFAOYSA-N 343.346 2.208 30 50 EEEA N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(c3nnc(O)o3)CC2)c1 425329045 YSHSYSVADWDCEU-LSDHHAIUSA-N 338.367 2.157 30 50 EEEA CCn1c(CN(C)C)nnc1C1CCN(c2cc(C#N)ccn2)CC1 96137223 IJBBPHBTDDNWIF-UHFFFAOYSA-N 339.447 2.010 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC)cc1 15352882 WFQCHESAEYDFTK-UHFFFAOYSA-N 346.408 2.412 30 50 EEEA CO[C@@H]1C[C@H](c2nc(C)no2)N(C/C(O)=N/Cc2ccccc2)C1 328631294 QUNFZNPVUUUYIB-HUUCEWRRSA-N 330.388 2.297 30 50 EEEA C=CCN(CC(=O)O)S(=O)(=O)c1csc(C(F)(F)F)c1 2325772338 BJTKJAQVISBRKD-UHFFFAOYSA-N 329.321 2.028 30 50 EEEA C#CCCC1(CCNC(=O)C2(NC(=O)c3ccc[nH]3)CCCC2)N=N1 2325900435 YVZOWTPZHTXOGU-UHFFFAOYSA-N 341.415 2.139 30 50 EEEA C=CCNC(=O)N1CCn2nc(-c3nc4ccccc4n3C)cc2C1 65408060 QKCOFKXHCJLLES-UHFFFAOYSA-N 336.399 2.148 30 50 EEEA O/C(=N/[C@@H]1CCCC12CCOCC2)N1CCC[C@@H](Cn2ccnn2)C1 328586288 REDBSZZLXOFYKB-HZPDHXFCSA-N 347.463 2.253 30 50 EEEA Cc1nnc(N2C[C@@H](F)C[C@H]2C/N=C(/O)C[C@H]2CCCCO2)o1 328631383 KMHUHGCCQXFVBN-RWMBFGLXSA-N 326.372 2.211 30 50 EEEA C#CCn1cc(CN(C)Cn2nc(SC)sc2=S)cn1 125880813 GHMJWKBAXGAFDE-UHFFFAOYSA-N 325.488 2.315 30 50 EEEA C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1cccs1 153327655 PQJWYYZOLHVYOF-UHFFFAOYSA-N 344.439 2.373 30 50 EEEA CCOC(=O)/C(=N\Nc1ccccc1)S(=O)(=O)c1ccccc1 13111989 FAVKHRKHVZMCLZ-OBGWFSINSA-N 332.381 2.449 30 50 EEEA COc1cc(/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)on1 328630029 PKDJNJHFPUJLAR-MRVPVSSYSA-N 344.293 2.466 30 50 EEEA CN(Cc1cc(C2CC2)n[nH]1)/C(O)=N/c1nc(-c2ccco2)n[nH]1 48501631 SCIGYYKRFKVMRG-UHFFFAOYSA-N 327.348 2.343 30 50 EEEA N#Cc1ccsc1N1CC[C@@H](N2CCC[C@@H](c3ncc[nH]3)C2)C1=O 221838620 MTYPOHVNMHJLIH-ZIAGYGMSSA-N 341.440 2.328 30 50 EEEA CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C#N)cc3)c2)CC1 170602354 IAQWADZJJGGIAJ-UHFFFAOYSA-N 348.406 2.479 30 50 EEEA C#CCOc1c(CC=C)cc(/C=C2/NC(=O)NC2=O)cc1OCC 13940540 MWTJEKUHMHPALD-GXDHUFHOSA-N 326.352 2.006 30 50 EEEA C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 252537972 MLXKYYAGVMJGKL-WDEREUQCSA-N 341.399 2.376 30 50 EEEA CCNC(=O)C(C)(C)CNc1nc(Br)ccc1C#N 952993712 KROROFZSQSYJBF-UHFFFAOYSA-N 325.210 2.290 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](c2cccnc2)c2cnn(C)c2)N=N1 2325886449 YXGMNSZMMUSDTD-KRWDZBQOSA-N 336.399 2.376 30 50 EEEA COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1C[C@H]1CCCO1 381129 BWYNYTLNIVQSCS-WBMJQRKESA-N 331.368 2.159 30 50 EEEA CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(CC#N)cc2)c1 10328789 LBOAGELUFITUHR-UHFFFAOYSA-N 329.381 2.376 30 50 EEEA C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1)C(=O)O 350730928 WMUGJLGQNNGIII-LLVKDONJSA-N 345.380 2.017 30 50 EEEA CN(CCCOc1cccc(C#N)c1)[C@H]1CCC[C@H]1S(C)(=O)=O 252477914 XQDHYEPOMMCCJQ-DLBZAZTESA-N 336.457 2.225 30 50 EEEA N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CC23CCOCC3)CC1 365830165 LIGCEUSKXUBFQA-INIZCTEOSA-N 325.412 2.024 30 50 EEEA CCn1nccc1[C@@H]1OCC[C@H]1CNc1nnc(C)c(C)c1C#N 275405304 CTKQVTUCWOMGSC-XJKSGUPXSA-N 326.404 2.371 30 50 EEEA CC1(C)OB(c2cccc(CCCN3CCOCC3)c2)OC1(C)C 169810437 KJIXFHVJYASQTN-UHFFFAOYSA-N 331.265 2.251 30 50 EEEA in-vitro C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 337725750 MDXJGUMZLUFRPA-BBRMVZONSA-N 338.411 2.342 30 50 EEEA C[C@H]1CCCN(C[C@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)C1 249208049 SCXULBFIAFLYAI-GJZGRUSLSA-N 335.473 2.098 30 50 EEEA C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2ccn[nH]2)C1 229219855 DNUBYVQBTSGRIX-LSDHHAIUSA-N 329.448 2.320 30 50 EEEA COc1cc([C@@H]2CC(=O)C=C(O)[C@H]2n2cncn2)cc(OC)c1OC 1390420 JPWCYIYURVIJFX-LRDDRELGSA-N 345.355 2.044 30 50 EEEA N#Cc1ccc(OC2CN(C(=O)[C@H]3CCO[C@@H]3c3cccnc3)C2)cc1 375447060 KQTUZIFAKMWADC-RBUKOAKNSA-N 349.390 2.321 30 50 EEEA CS(=O)(=O)O[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](O[C@@H]4CCCCO4)[C@H]1[C@H]23 247526658 NKITVIAMISOQED-BBJIVYBFSA-N 330.446 2.309 30 50 EEEA Cc1ccc(S(=O)(=O)[C@]23[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@@]47O[C@@]64[C@@H](C[C@H]72)[C@@H]53)cc1 257356596 JEIWOWPLNLFESU-IPZBJCPLSA-N 326.417 2.191 30 50 EEEA N#Cc1ccc(N2CCOC3(CCN(Cc4cccnc4)CC3)C2)nc1 826785082 CTWDAOVDGLDCFF-UHFFFAOYSA-N 349.438 2.220 30 50 EEEA C[C@@H]1CN(/C(O)=N/CC2CCC(F)(F)CC2)C[C@H]1N1CCOCC1 328586316 YKLINSFMUUIFHB-UKRRQHHQSA-N 345.434 2.378 30 50 EEEA CC(C)N1CCN(CCCN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 253398317 JUVWKWQPYTZJFB-PMACEKPBSA-N 348.535 2.330 30 50 EEEA Cn1ccnc1COc1ccc(C#N)cc1I 253630281 XBWLHPDFLFRLKI-UHFFFAOYSA-N 339.136 2.475 30 50 EEEA Cc1nnc([C@@H]2Cc3ccccc3CN2S(=O)(=O)CCCC#N)o1 162246605 AWHWHTOERIVTMQ-HNNXBMFYSA-N 346.412 2.111 30 50 EEEA C=C(C)CN1CCN(C(=O)NCc2nc3cccc(C)c3[nH]2)CC1 584895555 SGCBGYFAHMXOPM-UHFFFAOYSA-N 327.432 2.275 30 50 EEEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2sccc2N)cc1 1565525673 RBAGBCPYQXKQEN-GJZGRUSLSA-N 343.408 2.168 30 50 EEEA COc1nnc(N/C(O)=N/[C@@H](c2ccccc2)c2ccncc2)s1 328588779 PPXPWJJFQQJCFB-ZDUSSCGKSA-N 341.396 3.057 30 50 EEEA CCN(CC)CCC[C@@H](C)NC(=O)N1CCCn2nc(C#N)cc2C1 426648234 ZZYCCVSPBKRSMW-OAHLLOKOSA-N 346.479 2.181 30 50 EEEA C=CCn1ncc(CN2CCCN(C(=O)c3cc(C)on3)CC2)c1C 1775980928 LOIIHUIQWNNTPE-UHFFFAOYSA-N 343.431 2.022 30 50 EEEA C=CCN[C@H]1CCc2c(c(C(=O)NC)nn2CCc2ccccc2)C1 14743136 RHQXOBGXOPHGFW-INIZCTEOSA-N 338.455 2.118 30 50 EEEA COc1cc(C=Nn2c(C)cc(C)c(C#N)c2=O)cc(OC)c1OC 16980144 DHORTVBPLYGEIF-UHFFFAOYSA-N 341.367 2.245 30 50 EEEA N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 376069462 RLEAHWBSOSQAPA-OAHLLOKOSA-N 344.802 2.208 30 50 EEEA N#C[C@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)CCN1C1CC1 377008488 AOSVMLSIBNXGPT-IBGZPJMESA-N 339.418 2.243 30 50 EEEA N#CCCN(CCC#N)C(=O)CN1CCC[C@H](c2ccncc2)CC1 952992404 MFICIQOYPYQFED-KRWDZBQOSA-N 339.443 2.307 30 50 EEEA C=CCC1(O)CCN(C(=O)Cc2cccc(OC(F)F)n2)CC1 1875316137 XCJDEZODVSDGEJ-UHFFFAOYSA-N 326.343 2.155 30 50 EEEA C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cc(Br)ccn1 899141216 WHSARXCFUKGRBJ-STQMWFEESA-N 325.206 2.442 30 50 EEEA C=CCNS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 6742536 SUUGHUHYGYVKBA-UHFFFAOYSA-N 336.438 2.394 30 50 EEEA COC(=O)C1=C(C(=O)OC)[C@H]2C(=C(C)C)[C@H]1[C@]13O[C@]21[C@H]1CC[C@H]3C1 101052955 SYHLVDYFJUEQKI-BQCIVFGTSA-N 330.380 2.163 30 50 EEEA CC(C)(C)OC(=O)/N=C(/NCCCC(=O)O)NC(=O)OC(C)(C)C 139423622 RXVHNZVHLYSEEX-UHFFFAOYSA-N 345.396 2.257 30 50 EEEA COC(=O)c1cn([C@@H]2CCN(Cc3ccccc3N=C(C)O)C2)nn1 328587464 WQXGJBMKUZWJJN-CQSZACIVSA-N 343.387 2.120 30 50 EEEA N#C[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccccc1Cl 253418507 TUTDZZXEPZFYMY-ZDUSSCGKSA-N 342.742 2.061 30 50 EEEA C=CCn1c(CN2CCC[C@@](CO)(CN(C)C)C2)nc2ccccc21 215846661 FCYZVONCECRFJC-HXUWFJFHSA-N 342.487 2.358 30 50 EEEA Cc1cc(C#N)nc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1 367339630 NYCPEAKISPPCKJ-KRWDZBQOSA-N 328.803 2.494 30 50 EEEA C=CCOc1cccc(NC(=O)N2CCC[C@](O)(CN(C)C)C2)c1 96140494 VTAJCWDEDVMTBF-SFHVURJKSA-N 333.432 2.172 30 50 EEEA Cc1nc(N2CCN(c3ccccc3C#N)CC2)cc([C@H]2C[C@@H](N)C2)n1 244884239 YIESYWBKHGWEBQ-CALCHBBNSA-N 348.454 2.188 30 50 EEEA Cc1c(C(=O)N[C@@H]2CCC[C@H]2C#N)sc2nc3n(c(=O)c12)CCC3 170651925 XZXRGUUQEHRJEH-WDEREUQCSA-N 342.424 2.135 30 50 EEEA CCO[C@@H]1C[C@](O)(CNC(=O)c2c(F)cc(C#N)cc2F)C1(C)C 191785921 WBIVJVGNUVDANG-DYVFJYSZSA-N 338.354 2.132 30 50 EEEA CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(C#N)c1 225293817 TUWPUVVBVBRYHG-LNPFQXMTSA-N 333.457 2.437 30 50 EEEA N#Cc1cc2c(nc1NCc1cc(O[C@@H]3CCNC3)ccn1)CCC2 818628782 PCMPCTPZMQLEGV-QGZVFWFLSA-N 335.411 2.190 30 50 EEEA C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN(C(=O)N(C)C)C1 65388066 FVQAUAPIFVVXGA-INIZCTEOSA-N 345.418 2.181 30 50 EEEA N#CC1(CS(=O)(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@H]32)CCCC1 262380987 GZVSWMLEFIXKAC-MCIONIFRSA-N 340.445 2.118 30 50 EEEA N#Cc1ccccc1C(=O)N1CCN(C2CCCCC2)C[C@@H](O)C1 97759495 MOXPCHRVSHBCBW-QGZVFWFLSA-N 327.428 2.010 30 50 EEEA N#Cc1ccc(N2CCC[C@@H](CNC(=O)c3cncc(F)c3)C2)nc1 826785237 MUEOEJGFBOIKCZ-AWEZNQCLSA-N 339.374 2.134 30 50 EEEA N/C(=N\C(=O)Nc1ccccc1)N1CCN(Cc2ccccc2)CC1 19890927 NNAOTVWWVVQRBM-UHFFFAOYSA-N 337.427 2.351 30 50 EEEA Cn1cc(C#N)cc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 341184345 WYWXWVKOFXAXFA-KBPBESRZSA-N 346.431 2.301 30 50 EEEA C#CC(C)(C)N1CCN(C(=O)c2ccc(-c3cc[nH]n3)s2)CC1 1775987301 VPCFSEWHOPFUIS-UHFFFAOYSA-N 328.441 2.308 30 50 EEEA COCCN1CCC[C@]2(CCCN2Cc2cccc(C#N)c2)C1=O 2100557158 XMRZAHUCHVTXIP-IBGZPJMESA-N 327.428 2.162 30 50 EEEA Cc1cc(N2CCC([C@H](O)c3nccn3C)CC2)nc(C)c1C#N 2356164545 XGKRTABOZRHXMA-KRWDZBQOSA-N 325.416 2.254 30 50 EEEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)CCN(C)S(C)(=O)=O 55575747 DVTZEGKOSPBIRM-HOTGVXAUSA-N 340.489 2.336 30 50 EEEA Cc1cnn([C@H](C)[C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)c1 229569932 FIYYNKDNSREJMZ-BFYDXBDKSA-N 328.416 2.042 30 50 EEEA C[C@@H](c1ccc(C#N)cc1)N1CCO[C@@H](CN(C)c2cccnn2)C1 229913823 VGLSZKACOSCBHE-YJBOKZPZSA-N 337.427 2.246 30 50 EEEA COCc1cc(N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)ncn1 218325065 SSOCKYCKSVGGII-IAGOWNOFSA-N 340.383 2.143 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(Cc2ccc(C#N)cc2F)C1 328621786 HXYHZBZXOIUVBE-KRWDZBQOSA-N 343.362 2.466 30 50 EEEA COc1ncc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1C#N 685944845 CRQLDIKGOWWSMO-UHFFFAOYSA-N 334.376 2.205 30 50 EEEA CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[C@H](C(=O)OC)C1 278983626 DGPLWQFXPVWIKP-QWHCGFSZSA-N 331.372 2.420 30 50 EEEA C#CCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 1167275 ILYXWSMKAWQLEN-FMIVXFBMSA-N 333.365 2.382 30 50 EEEA CN(C)/C=N/c1c(C(=O)NCc2ccccc2)c2n(c1C#N)CCC2 15724584 CJMUIWIHVOIVLC-LPYMAVHISA-N 335.411 2.457 30 50 EEEA O=C([C@@H]1CCN(/C(O)=N/[C@@H](C2CC2)C(F)(F)F)C1)N1CCCC1 329663405 PWIJUDFOVPFNDB-NEPJUHHUSA-N 333.354 2.186 30 50 EEEA C=C1C(=O)[C@@]23[C@@H](CC[C@H]1[C@H]2O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 257551483 UCDVIBNDYLUWFP-YSUNIYGHSA-N 332.440 2.275 30 50 EEEA biogenic N#C[C@]12CCCCC[C@H]1CN(S(=O)(=O)N1CCC(F)(F)CC1)C2 2325782835 JZBCZBCKEJOZKH-KBPBESRZSA-N 347.431 2.368 30 50 EEEA CC(F)(F)C1(CSc2nc(=O)n3ncc(C#N)c3[nH]2)CCC1 2325806826 IQRPBQWUBGXFQO-UHFFFAOYSA-N 325.344 2.207 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc([N+](=O)[O-])c1 381169 AGBBFQVUQLAPOB-ZFWWWQNUSA-N 346.339 2.058 30 50 EEEA C=C(C)C(=O)O[C@H]1CC2=C[C@@H](C/C(C)=C/[C@H]3OC(=O)C(=C)[C@@H]13)OC2=O 102070368 JMUOPRSXUVOHFE-KHXFTIPISA-N 344.363 2.164 30 50 EEEA CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(F)cc1 20081558 LUUGQLZAKKZXPH-INIZCTEOSA-N 334.391 2.452 30 50 EEEA Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cccc(C)c2C#N)n[nH]1 252478424 AMABFRUOAXKCNO-CQSZACIVSA-N 345.428 2.209 30 50 EEEA COc1ncc(/C=C/C(=O)N2C[C@@H](C#N)[C@H](c3ccccc3)C2)cn1 366495486 GKGNKNMYOPQMMA-PWHGLLLSSA-N 334.379 2.264 30 50 EEEA COc1ccc(C=NN2CCN(c3ccccn3)CC2)c(OC)c1 245238441 OVGFZELXPPKSKI-UHFFFAOYSA-N 326.400 2.255 30 50 EEEA C=CCN[C@@H]1CCc2c(c(C(=O)NC)nn2CC2CCCCC2)C1 14745128 NGMVLRMQSLBUPS-OAHLLOKOSA-N 330.476 2.456 30 50 EEEA CC/N=C(/NCC)S[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O 18068068 CDECIFSKOZYFFG-ZDUSSCGKSA-N 335.429 2.046 30 50 EEEA COc1cc(N[C@H]2CCCN(c3cnc(C#N)cn3)C2)cc(OC)c1 127138554 DBNKVPMPDJZTFU-ZDUSSCGKSA-N 339.399 2.446 30 50 EEEA COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C#N)cc1Cl 253426214 NZLHNWBDLONPCY-UHFFFAOYSA-N 326.765 2.053 30 50 EEEA Cc1ccc2ccccc2c1S(=O)(=O)N[C@@H](CCC#N)C(=O)O 1875354669 KVGCCXNLSIAFNQ-AWEZNQCLSA-N 332.381 2.184 30 50 EEEA COC(=O)[C@@H]1C(=O)/C(=C/Nc2cccc([N+](=O)[O-])c2)C(=O)CC1(C)C 100318950 QTQAXYDCNKGTPR-TZIYXEQSSA-N 346.339 2.248 30 50 EEEA CCO[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccnc2C#N)C12CCCC2 328587607 CWGFWEUDPIXHOP-CVEARBPZSA-N 349.456 2.312 30 50 EEEA O=[N+]([O-])c1cnn(C/C(O)=N/Cc2ccncc2C(F)(F)F)c1 328594616 ZEIACMIPWVGWGI-UHFFFAOYSA-N 329.238 2.362 30 50 EEEA C=CCn1c(CN2CCC[C@](CO)(CN(C)C)C2)nc2ccccc21 215846710 FCYZVONCECRFJC-FQEVSTJZSA-N 342.487 2.358 30 50 EEEA C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)N(C)C[C@H](C)C#N)C1 239637040 BIJYPQSNWDQUBN-KLHDSHLOSA-N 332.448 2.029 30 50 EEEA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@H]([C@@H](O)CO)CC[C@H]12 254738597 DCMCEXCRUWBAFV-VIDVUAGHSA-N 348.483 2.459 30 50 EEEA CCc1nc(C)c(C(=O)NC2CCN(c3ncccc3C#N)CC2)o1 534675149 MYEDVOCVIURYJY-UHFFFAOYSA-N 339.399 2.211 30 50 EEEA N#Cc1cccc(CNc2ccc(C(=O)N3CCOCC3)c(F)c2)n1 871002677 UCWLPKJXJGWPJS-UHFFFAOYSA-N 340.358 2.177 30 50 EEEA N#Cc1ccccc1N1CCCN(C(=O)[C@H]2CCCc3c[nH]nc32)CC1 2325703004 ZYJRACZZXSRFSK-KRWDZBQOSA-N 349.438 2.440 30 50 EEEA CCOc1nccc(C)c1/C(O)=N/C1CCN(c2nccn2C)CC1 330090054 PDIARFZGCMDCLW-UHFFFAOYSA-N 343.431 2.496 30 50 EEEA CCc1nnc([C@]23CCC[C@H]2CN(c2nnc(C)c(C)c2C#N)C3)o1 912367990 CWOXEUMJSWSWTL-UGSOOPFHSA-N 338.415 2.469 30 50 EEEA Cc1nnc(N2C[C@@H](F)C[C@H]2C/N=C(/O)c2csnc2C)o1 328627658 GKYJBEXXTJVILU-UWVGGRQHSA-N 325.369 2.065 30 50 EEEA N#Cc1cc(S(=O)(=O)N2CCOc3ccc(F)cc32)ccc1F 123954901 ZIVKHCXBONLNAH-UHFFFAOYSA-N 336.319 2.424 30 50 EEEA CN(C)c1cccc(C(=O)N2CCN(c3ccccc3C#N)C(=O)C2)c1 82155599 DCFBBNKFUVUSMA-UHFFFAOYSA-N 348.406 2.113 30 50 EEEA N#CCC(=O)N1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1 294573710 OFHKVWHDXLZZGC-UHFFFAOYSA-N 325.412 2.155 30 50 EEEA COc1ccc(C)cc1S(=O)(=O)NCc1cc(C#N)ccc1F 195312580 SJGNEXXVUKLTQP-UHFFFAOYSA-N 334.372 2.493 30 50 EEEA C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC=C)C1 14538285 HRBRFNIVXLZKPK-OAHLLOKOSA-N 328.460 2.302 30 50 EEEA C=CCc1ccc(OCCSc2nc(N)cc(=O)[nH]2)c(OC)c1 16527219 XRKYOSAKSAKLAR-UHFFFAOYSA-N 333.413 2.260 30 50 EEEA Cc1cccc(CN2CCN(CC#Cc3ccccc3)C[C@@H]2CCO)n1 19744851 ORPZFOJXBQQSOE-QFIPXVFZSA-N 349.478 2.310 30 50 EEEA C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(-c2cnn(C)c2)nc2n1CCCC2 889846296 WRJJPHHLIWHTDX-KGLIPLIRSA-N 341.415 2.150 30 50 EEEA C=C(C)CN(C)S(=O)(=O)c1cc(Br)ccc1C(=O)O 663426311 YVEJRJGBWZWNIC-UHFFFAOYSA-N 348.218 2.344 30 50 EEEA N/C(=N\C(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc2ccccc2o1 13154522 VFINGRIKVYFYFU-UHFFFAOYSA-N 325.284 2.303 30 50 EEEA Cc1cccc(N=C(O)[C@H]2CCCN(CCN3CCOCC3)C2)n1 328834004 LNZCZIKDJIFLKC-INIZCTEOSA-N 332.448 2.022 30 50 EEEA Cc1oc(C#N)cc1C(=O)N1CCN(CC(F)(F)F)C[C@H](C)C1 331686412 WADBRDPPDQHGDF-JTQLQIEISA-N 329.322 2.416 30 50 EEEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1cc(C#N)cn1C 328619149 FOTSPCSUAGXPQI-WMZOPIPTSA-N 337.427 2.057 30 50 EEEA CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 286523384 ZUGBESOWRAVGKK-DTWKUNHWSA-N 348.881 2.188 30 50 EEEA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc(C#N)cc1 286703110 FTIILNFRYUZIEZ-RCCFBDPRSA-N 328.412 2.143 30 50 EEEA N#Cc1ccc([C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C(N)=O)cc1 162936646 ATSXDNZOCRSAJB-NXOAAHMSSA-N 325.412 2.022 30 50 EEEA CCOC(=O)[C@]1(CC#N)CN(Cc2ccccc2)CCC12OCCO2 382634732 LUNGEURZPRWQAL-SFHVURJKSA-N 344.411 2.099 30 50 EEEA C=CCN(CC1CCCCC1)S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 170626002 SMNKNQIYRCMRBH-GJZGRUSLSA-N 330.494 2.409 30 50 EEEA C#CCCC1(CCC(=O)NC[C@@H](Cc2ccccc2)C(=O)OC)N=N1 2325892439 NPCLSNBAGAWNBF-MRXNPFEDSA-N 341.411 2.490 30 50 EEEA C=CCn1c(=O)c(C(=O)NCc2ccccn2)c(O)c2ccccc21 100271898 WIVGTAASGUJGLX-UHFFFAOYSA-N 335.363 2.218 30 50 EEEA C[C@@H](CN1CCOCC1)/N=C(/O)c1cc(O)cc(C(F)(F)F)c1 328592709 KWCWTPUPYPZHPG-JTQLQIEISA-N 332.322 2.436 30 50 EEEA O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1CC#Cc1ccccc1 375800394 ADTJCJXGXRXLEV-OALUTQOASA-N 342.439 2.408 30 50 EEEA CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C#N)C1 330901495 PFIYVSBGDVUODZ-LLVKDONJSA-N 333.354 2.186 30 50 EEEA C[C@H]1C[C@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CO1 332298062 PFUBBVRXTMXOOU-RDJZCZTQSA-N 327.428 2.086 30 50 EEEA Cc1cccc(NC[C@@H]2CCCN2CC(=O)N[C@](C)(C#N)C(C)C)n1 252475256 WZBXUYNGIZNXLP-QFBILLFUSA-N 343.475 2.321 30 50 EEEA CCS[C@@H]1CCC[C@H](/N=C(/O)N2CCS(=O)(=O)CC[C@H]2C)C1 328596745 XXCNWWYUQNOYLE-HZSPNIEDSA-N 348.534 2.474 30 50 EEEA CCc1ccc([C@@H](COC)NS(=O)(=O)c2ccc(C#N)s2)o1 435420971 FNZHKUGXGFGLGX-GFCCVEGCSA-N 340.426 2.441 30 50 EEEA CSc1nc2n(n1)[C@@H](c1cc(C)nn1C)C1=C(CCCC1=O)N2 20606601 FLOXICAQMFPMFF-ZDUSSCGKSA-N 330.417 2.064 30 50 EEEA N#Cc1ccc(C(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1 91894082 JFTOJYJZAULETB-HXUWFJFHSA-N 337.423 2.423 30 50 EEEA N#Cc1ncccc1-c1cccc(C(=O)N[C@@H]2CN3CCC2CC3)c1 299767867 WTYDLTAKFWSRSF-LJQANCHMSA-N 332.407 2.444 30 50 EEEA CC(C)c1noc([C@@H](NC(=O)c2cc(C#N)c[nH]2)C2CCOCC2)n1 275778833 WKFLMIMNQDGISI-AWEZNQCLSA-N 343.387 2.290 30 50 EEEA C[C@@H]1CN([C@H](C/N=C(\N)Nc2ccccn2)c2cccs2)CCO1 246801262 JVAAXWPDKFUHFP-ZIAGYGMSSA-N 345.472 2.332 30 50 EEEA C=CCNc1ccccc1C(=O)NCc1noc([C@@H]2CCCO2)n1 65371495 DJZBJLHWKLQMGR-AWEZNQCLSA-N 328.372 2.449 30 50 EEEA COC/C(O)=N/CCCCN1CCCN(C(=O)OC(C)(C)C)CC1 328589804 GWHIXEFWTUSBMD-UHFFFAOYSA-N 343.468 2.312 30 50 EEEA C/N=C(/O)C1CCN(S(=O)(=O)C[C@@H](C)COC2CCCC2)CC1 328768939 QLTCMEOABFKQOG-ZDUSSCGKSA-N 346.493 2.210 30 50 EEEA N#Cc1c(NCc2cc(=O)cc[nH]2)nc2c(c1C#N)CCCCCC2 408522955 FLCCGIAGQGCODE-UHFFFAOYSA-N 333.395 2.784 30 50 EEEA N#Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)ccn1 193736592 IWSZDRVAINWMKO-CJNGLKHVSA-N 329.306 2.180 30 50 EEEA C#CCCC1(CCNC(=O)[C@]2(C(=O)O)C[C@@H]2c2ccccc2)N=N1 2325900988 PNYDGDRLNYMSSN-KDOFPFPSSA-N 325.368 2.327 30 50 EEEA CSc1[nH]c(=O)c(C(=O)N2CCc3c(F)cc(F)cc32)cc1C#N 225389323 BGXGLADNDCRDIY-UHFFFAOYSA-N 347.346 2.450 30 50 EEEA C=CCC(O)(CC=C)CNc1nc2nonc2nc1N1CCCCC1 12707142 FIQJPISWZDAKMN-UHFFFAOYSA-N 344.419 2.298 30 50 EEEA C=CCn1cc(CN2CCN(c3ncc(Cl)cn3)CC2)c(C)n1 65385687 NVYIINPENGYDAU-UHFFFAOYSA-N 332.839 2.143 30 50 EEEA Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1cccc(CC#N)c1 368582622 LGKIRAUGHBGWMG-KRWDZBQOSA-N 338.411 2.317 30 50 EEEA CN(Cc1nccs1)[C@H]1CC12CCN(CCOCCC#N)CC2 339175200 PORHEZHPISNYBV-HNNXBMFYSA-N 334.489 2.360 30 50 EEEA N#Cc1ncn(Cc2csc(CC(=O)Nc3ccccc3)n2)c1C#N 180414468 DRPKIFBAVCOUQR-UHFFFAOYSA-N 348.391 2.312 30 50 EEEA C#C[C@H](NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)[C@@H]1CCOC1 170609737 UKIANJJRTJKMSY-CJNGLKHVSA-N 342.374 2.480 30 50 EEEA C#CCN(CC=C)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2OC)C1 11952969 NAIFOEKXBIPECG-KRWDZBQOSA-N 340.423 2.082 30 50 EEEA C#Cc1cccc(C(=O)N[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 14977539 UEMKLKVEKZRRIO-IBGZPJMESA-N 332.403 2.241 30 50 EEEA CCCn1cc(/C(O)=N/[C@H](c2nc(C)no2)C2CCOCC2)cn1 328612052 NRFZRZJDPBCMNK-AWEZNQCLSA-N 333.392 2.457 30 50 EEEA C#CCOCCC(=O)Nc1ccc2nc(-n3ccnc3)sc2c1 1875253434 MQWVYUCTMLFLQW-UHFFFAOYSA-N 326.381 2.460 30 50 EEEA O/C(=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1)NC1CCOCC1 328627171 MNERCTWWEXELFY-SNVBAGLBSA-N 346.353 2.147 30 50 EEEA C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](C)Oc1cccc(Cl)c1 281709895 CSDFTMAHDZYFQV-NEPJUHHUSA-N 345.852 2.033 30 50 EEEA N#Cc1ccc2ncc(CN[C@H]3CCN(Cc4ccccc4)C3=O)n2c1 375310602 RHAGQLVBWNNQPS-SFHVURJKSA-N 345.406 2.097 30 50 EEEA CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCc2ccc(C#N)cc21 369768724 XYEAFRQDAHUTOH-HXUWFJFHSA-N 345.402 2.421 30 50 EEEA Cn1nccc1CN1C[C@@H](F)C[C@H]1C/N=C(/O)c1cccc(C#N)c1 328649315 UXXFBZFRULSSPL-RDJZCZTQSA-N 341.390 2.209 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2CC[C@@H]3NC(=O)C(C)(C)[C@H]3C2)N=N1 1875380999 GVRXRFOPQIHXKQ-RDBSUJKOSA-N 330.432 2.009 30 50 EEEA N#Cc1ccsc1N=C(O)CN1CCCC[C@H]1c1nc(O)n[nH]1 329609695 RAQWQJHHYCNTSQ-JTQLQIEISA-N 332.389 2.259 30 50 EEEA N#Cc1cccc(-c2cc(C(=O)O)cc(S(=O)(=O)NC3CC3)c2)c1 71746650 OJRCDJBHKYPQNR-UHFFFAOYSA-N 342.376 2.364 30 50 EEEA C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)NC)nc2c1=O 72432100 BQGAAPRBALEAQF-UHFFFAOYSA-N 342.786 2.362 30 50 EEEA C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCC(c2ccc(C#N)cn2)CC1 874434853 GEGGRGKYBHEIAV-ZDUSSCGKSA-N 348.472 2.108 30 50 EEEA N#Cc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1C#N 253419966 PJZLYVYQZCUTDN-LJQANCHMSA-N 346.390 2.269 30 50 EEEA C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@H]1C(=O)NCC#N 245803057 AZNUOEUDMDQJHN-BMFZPTHFSA-N 325.412 2.410 30 50 EEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(OC)c1 105211449 QQSLNVHVHGNFIY-BZPRTPENSA-N 340.379 2.235 30 50 EEEA Cc1ncc(N=C(O)N2CCCN(C(=O)C(C)C)CC2)c(C2CC2)n1 328588486 QEVZQQYEGPMOKI-UHFFFAOYSA-N 345.447 2.398 30 50 EEEA COc1cccc2c1nc(N=C(O)c1cc3n(n1)CCCO3)n2C 330360948 XSLHYOOETQGTEI-UHFFFAOYSA-N 327.344 2.197 30 50 EEEA C=CCn1c(-c2cnn[nH]2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1340379390 AVJBQZFTAPXOOH-LBPRGKRZSA-N 337.387 2.037 30 50 EEEA C=CCOc1ccccc1C(=O)N(CCOC)C[C@H](O)C(F)(F)F 655195881 OGRFFNDMDUFPIJ-AWEZNQCLSA-N 347.333 2.263 30 50 EEEA O=S(=O)(N/N=C/c1ccc[nH]1)c1ccc(Br)cc1 3145458 HZHGVQHQBGZMDU-RIYZIHGNSA-N 328.191 2.090 30 50 EEEA CCN(CC)C(=O)[C@@H]1CCCN1c1nnc2c(c1C#N)CCCC2 2325802032 CSQWSTDMSRLSOK-INIZCTEOSA-N 327.432 2.064 30 50 EEEA C=CCN(CC#Cc1ccccc1)C(=O)C[C@@H]1C[C@@H](C)NC(=S)N1 55154415 JYGOBWYFWPICDW-WBVHZDCISA-N 341.480 2.068 30 50 EEEA Cc1nn(C)cc1-c1c(C#N)c(N)nc2c1CN(Cc1ccco1)CC2 72135205 SFRPFJCEQSFDKN-UHFFFAOYSA-N 348.410 2.396 30 50 EEEA CCOC(=O)[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1O 1908500296 BXVDAXOLIKDWQR-GXTWGEPZSA-N 342.317 2.327 30 50 EEEA C=CC1(CC(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)CCCCC1 935976045 BNQLAHHXLPYZJA-OAHLLOKOSA-N 342.505 2.395 30 50 EEEA N#Cc1ccccc1CN1CC[C@@]2(C1)C(=O)N(CCO)c1ccccc12 2100555583 XVODKIGFVOLMFZ-NRFANRHFSA-N 347.418 2.041 30 50 EEEA CCN(CC(=O)O)C1CC(/N=C(/O)c2cccnc2NC(C)C)C1 328625644 DJXONVJSKFAGSH-UHFFFAOYSA-N 334.420 2.144 30 50 EEEA N#Cc1ccc([C@H](O)CN2CCCN(c3cncc(F)c3)CC2)cc1 241170982 KDGOVHZNUHPEQH-LJQANCHMSA-N 340.402 2.338 30 50 EEEA N#CCCCC(=O)NCCCCN1CCN(c2ccccc2)CC1 292774805 XBAXUDDBNJMOKE-UHFFFAOYSA-N 328.460 2.399 30 50 EEEA N#Cc1cc(NCc2cccc(OCCN3CCOCC3)c2)ccn1 253415420 AWEZAROVCYVRCL-UHFFFAOYSA-N 338.411 2.276 30 50 EEEA CCc1nnc(N2CCN([C@H]3CCSC3)CC2)c(C#N)c1CC 366030818 CHILVVSIXTZNLZ-ZDUSSCGKSA-N 331.489 2.101 30 50 EEEA COc1ccc(CNC[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1C#N 1857531967 ODLGULHSGAUDIX-KDOFPFPSSA-N 326.400 2.168 30 50 EEEA CCc1ccccc1N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N 138333 ZORQEXWSNDFKBH-UHFFFAOYSA-N 346.390 2.202 30 50 EEEA O=C([C@H]1CO1)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 1875372656 KJQVEBXIILVBNP-MRXNPFEDSA-N 327.359 2.388 30 50 EEEA Cc1nnc2ccc(N/N=C/c3cc(Br)ccc3O)nn12 4593426 BEZSWBSRCJGLGA-VIZOYTHASA-N 347.176 2.347 30 50 EEEA C#Cc1cccc(NC(=O)C(=O)Nc2ccccc2-n2cccn2)c1 120483425 WZVYAYKAHOPGBF-UHFFFAOYSA-N 330.347 2.431 30 50 EEEA N#Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCOC3)CC2)c(F)c1 285019003 HIFWDJFNPWPPCS-AWEZNQCLSA-N 331.391 2.066 30 50 EEEA Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H](C#N)C3)CC2)c1 95383792 ZSSLGSJBYNPOPN-SFHVURJKSA-N 340.471 2.269 30 50 EEEA COCCn1cc([C@H]2OCC[C@@H]2Nc2ncc(C#N)cc2Cl)cn1 886079605 GHMDOJMHECQJFJ-LSDHHAIUSA-N 347.806 2.392 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cc(C#N)n(C)c1C 328639698 WZQAWZAIMRKONN-WMZOPIPTSA-N 327.432 2.175 30 50 EEEA CN(C[C@@H](C#N)CCC#N)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 286742949 KZJLRFARASZTQI-SOLBZPMBSA-N 328.464 2.178 30 50 EEEA CC(C)c1n[nH]c2c1CN(C(=O)c1ccc(C#CC(C)(C)O)o1)CC2 67956451 ZIUCRZJLEBHWNK-UHFFFAOYSA-N 341.411 2.447 30 50 EEEA CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(C#N)cc2F)cn1 433997349 PCGYDFFEVRECDC-AEFFLSMTSA-N 341.390 2.023 30 50 EEEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(CC#N)c1 286593753 ALRBLKWNKBFBMB-FGTMMUONSA-N 328.412 2.409 30 50 EEEA CN(C)[C@H]1CCCCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C1 1506429697 WBAPBMYKTDCFRO-SFHVURJKSA-N 328.456 2.365 30 50 EEEA N#Cc1cccc(N2CCCN(C(=O)c3cc(C4CC4)no3)CC2)n1 1772813181 UZQJWGSHWJBDDT-UHFFFAOYSA-N 337.383 2.171 30 50 EEEA CCS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 405053992 FJMIFHPYKYPITJ-UHFFFAOYSA-N 325.239 2.056 30 50 EEEA CCO[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccnc2C#N)C12CCCC2 328587609 CWGFWEUDPIXHOP-HZPDHXFCSA-N 349.456 2.312 30 50 EEEA C[C@@H](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)N1CCOCC1 72448103 UFXXSAOBWRTCCG-HNNXBMFYSA-N 327.428 2.131 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@@H]1CCCCN1C)CC2 91663764 QUYWQRCVAZOMPG-KRWDZBQOSA-N 347.503 2.278 30 50 EEEA C=CCc1cc(C(=O)N(CC=C)[C@@H]2CCS(=O)(=O)C2)ccc1OC 952960992 VKHRJINCBROJGR-MRXNPFEDSA-N 349.452 2.239 30 50 EEEA Cc1c(C(=O)N[C@H]2CCC[C@H]2C#N)sc2nc3n(c(=O)c12)CCC3 170651926 XZXRGUUQEHRJEH-QWRGUYRKSA-N 342.424 2.135 30 50 EEEA Cc1cccnc1C(=O)NC[C@@H]1CCCN(c2cccc(C#N)n2)C1 1506398448 DADJAQJQONMWEB-HNNXBMFYSA-N 335.411 2.303 30 50 EEEA CC1(C)OB(c2ccc(Cl)c(C(=O)NC3(C#N)CC3)c2)OC1(C)C 1857781306 HDQOUPIKKYCNPL-UHFFFAOYSA-N 346.623 2.425 30 50 EEEA C#CCCCC(=O)NCCc1ccnc(NC(=O)CCCC#C)c1 863948241 CPEYSYSZSXRKBZ-UHFFFAOYSA-N 325.412 2.286 30 50 EEEA Cc1noc([C@H]2OCC[C@H]2CN=c2c(C#N)c[nH]c3ccccc23)n1 886095148 MMAVBFWZELFSMD-SJCJKPOMSA-N 335.367 2.410 30 50 EEEA C#CCOc1ccc(Br)cc1[C@H]1N[C@@H](C(=O)O)CS1 2972008 ZBZHPYBZAQDIQJ-PWSUYJOCSA-N 342.214 2.249 30 50 EEEA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2cc(C#N)oc2C)c1 282516434 OIPBKGKIMOZBKR-CXAGYDPISA-N 326.352 2.416 30 50 EEEA CC(C)n1cc([C@]2(O)CCCN(Cc3ccc(F)c(C#N)c3)C2)nn1 284581718 JIIABFZPRZZOKX-SFHVURJKSA-N 343.406 2.353 30 50 EEEA N#Cc1cccc(N2CCN(C(=O)CCc3cccs3)CC2=O)c1 82136833 MCPFJIQOEOGQPP-UHFFFAOYSA-N 339.420 2.428 30 50 EEEA CCN(CC)[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 182816672 HGYJTTYCNWRSPY-RTBURBONSA-N 340.471 2.470 30 50 EEEA C#CCOc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)cc1 408517461 ILDPRVVBGKMMMW-SJLPKXTDSA-N 339.395 2.082 30 50 EEEA O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(F)cc1)c1ccccc1 5687413 VCKBZGLPVQRPNA-MRXNPFEDSA-N 341.338 2.396 30 50 EEEA N#Cc1ccccc1NC(=O)CCCC(=O)NCCC1(O)CCC1 253422988 QKDRYPQIAQNEKM-UHFFFAOYSA-N 329.400 2.088 30 50 EEEA C/N=C(\NCc1cccc(CN2CCCC2=O)c1)NCc1ccco1 264038482 HPCFLQDEPGKYRK-UHFFFAOYSA-N 340.427 2.267 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)N=N1 2325891517 LVWVQLRMDZUREK-GDBMZVCRSA-N 343.431 2.196 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@H](N(C)Cc3ncoc3C)C2)N=N1 2325892848 JSKLSMAXODYDEG-HNNXBMFYSA-N 343.431 2.371 30 50 EEEA N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccco2)CC1 6820830 GZIAVHMQEZPYLG-UHFFFAOYSA-N 326.312 2.022 30 50 EEEA CC(C)(O)C#Cc1ccc([C@@H]2CC(=O)NCc3nc(N)sc32)s1 65435236 OKCSCWVGDRHMLF-JTQLQIEISA-N 347.465 2.061 30 50 EEEA CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C#N)C1 330901496 PFIYVSBGDVUODZ-NSHDSACASA-N 333.354 2.186 30 50 EEEA CN(C)C[C@H](O)COc1ccc(CN2CCC(C)(C#N)CC2)cc1 95500229 RAQXDQQUTQSBLA-KRWDZBQOSA-N 331.460 2.114 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N(CCO)[C@@H]1CCc2ccccc21 269764682 KOYGZWPUJFLVIF-QGZVFWFLSA-N 342.420 2.229 30 50 EEEA CC(C)(C#N)CCCS(=O)(=O)c1nccn1Cc1ccccn1 170617101 CICKYZVBGNRGOH-UHFFFAOYSA-N 332.429 2.430 30 50 EEEA C=CCC1(CC=C)CCCN1C(=O)Cn1nnnc1CN(C)C(C)C 12578161 QESHXNOPPHCNPY-UHFFFAOYSA-N 346.479 2.027 30 50 EEEA Cc1cc(C#N)cc(N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)n1 376428774 RHSUMXOTMUKMLY-AWEZNQCLSA-N 338.415 2.071 30 50 EEEA NC(=O)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 229580 YNMBTTYXVYAXRW-UHFFFAOYSA-N 332.403 2.424 30 50 EEEA C=CC[C@]1(CO)CCCN(CCCOc2ccc(C(N)=O)cc2)C1 91877125 AWTZCRNJZPSGJH-IBGZPJMESA-N 332.444 2.205 30 50 EEEA C=CC[C@H](NC(=O)c1ccccc1-c1nnc(C)o1)C(=O)OCC 170594862 UBLBIQWZLAPMQK-AWEZNQCLSA-N 329.356 2.283 30 50 EEEA Cc1ccc(S(=O)(=O)NCCCNc2ncccc2C#N)cc1 1506400409 MKMJFFHSBRIJMH-UHFFFAOYSA-N 330.413 2.042 30 50 EEEA COc1ccccc1CN1CC(=O)C(c2nc(C)c(C)s2)=C1N 13691754 GSAJGICRCUXKFU-UHFFFAOYSA-N 329.425 2.481 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)N=N1 952880959 MXQCWYFKFNPPDJ-UHFFFAOYSA-N 340.431 2.098 30 50 EEEA N#Cc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2F)cn1 225792595 OAPXBYDAKPAKKA-UHFFFAOYSA-N 343.343 2.283 30 50 EEEA C=CCOc1cccc(CN(CC)C(=O)[C@H]2CCCN(C(N)=O)C2)c1 65491058 XRVHGHYVDICOBP-INIZCTEOSA-N 345.443 2.391 30 50 EEEA CC(C)n1cc([C@@]2(O)CCN(c3cc(Cl)ccc3C#N)C2)nn1 284455762 HAPDPDBYCMFBAT-MRXNPFEDSA-N 331.807 2.482 30 50 EEEA CCc1onc(C)c1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 296717941 ATVRDIWFNCQPFO-ZDUSSCGKSA-N 341.371 2.497 30 50 EEEA COC(=O)[C@@H](c1cccc(C#N)c1)N1CC(O)(c2ccc(F)cc2)C1 170599851 IFDCMGMVZITGRV-QGZVFWFLSA-N 340.354 2.115 30 50 EEEA C[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 188729010 GZEBMYPFIMNRIJ-RDJZCZTQSA-N 327.428 2.412 30 50 EEEA C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OCC)cc2)C1=O 1166135 ZNLSDZPQTPBRAF-GXDHUFHOSA-N 345.376 2.298 30 50 EEEA CCC(=O)/N=C(/NC(=O)CC)Nc1nc(C)c2cc(C)ccc2n1 2254080 XIOGIEZIKFPOQM-UHFFFAOYSA-N 327.388 2.477 30 50 EEEA CC1=NNC(=O)[C@@H]1[C@@H](c1ccc(Br)cc1)C(C#N)C#N 100363950 JGLGUOLSSHYZSX-STQMWFEESA-N 331.173 2.318 30 50 EEEA COc1cc([C@H](C#N)NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)cc(OC)c1OC 252508068 XBWUOYXFDMJIEP-KTSGXFQWSA-N 348.399 2.207 30 50 EEEA COC[C@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC(C)(C)O1 455553188 ZHZLQNQCGDCEHI-CQSZACIVSA-N 335.379 2.033 30 50 EEEA CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C 284435887 BDUJDHZDSJLRPZ-SJLPKXTDSA-N 338.411 2.418 30 50 EEEA C=CCCC(=O)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82109710 NOPQKBCVGFFFDS-IBGZPJMESA-N 344.459 2.150 30 50 EEEA CC1(C)C[C@]1(C#N)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 291028724 YLLJYHGMUKDJJW-CQSZACIVSA-N 342.804 2.082 30 50 EEEA Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N(C)CC(C)(C)C#N)c1 906995846 GVBQLHDJBYTBCS-UHFFFAOYSA-N 328.365 2.003 30 50 EEEA N#Cc1ccc(F)c(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c1 1875326475 DMIVAOUOPLOPPM-AEFFLSMTSA-N 337.354 2.447 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2C[C@H]2c2nc(C(F)(F)F)no2)N=N1 1875380985 GQMRBMUMVMUCMV-DTWKUNHWSA-N 341.293 2.274 30 50 EEEA Cc1noc([C@H](/N=C(/O)c2ccc3nn[nH]c3c2)C2CCOCC2)n1 328610465 HXTISGQRLIIPIY-CQSZACIVSA-N 342.359 2.122 30 50 EEEA CN/C(=N/[C@H](C)[C@H]1CCCO1)NC[C@H](c1ccco1)N1CCCC1 241287439 LLFGCWIAQKMOAO-BZUAXINKSA-N 334.464 2.149 30 50 EEEA CN(Cc1ncccn1)[C@@H]1CCN(c2ncc(C#N)cc2Cl)C1 275748710 QCMPXGHIRJJHBT-CYBMUJFWSA-N 328.807 2.107 30 50 EEEA C#C[C@@H](CC1CCOCC1)NC(=O)c1ccc(N(C)C(=O)C=C)cc1 1875373654 JRJIQPROLRTJKZ-KRWDZBQOSA-N 340.423 2.384 30 50 EEEA C#CCCC1(CCNC(=O)C2(c3cc(C)no3)CCOCC2)N=N1 1875368727 MEYFJTUGIGCRFU-UHFFFAOYSA-N 330.388 2.113 30 50 EEEA CN(C)Cc1cc(O[C@@H]2CCN(C[C@H](C#N)CCC#N)C2)ccn1 886068632 DTJXBQNVGQFPJG-MAUKXSAKSA-N 327.432 2.040 30 50 EEEA C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(N)=O 6728920 HGVBUNSJNASOML-UHFFFAOYSA-N 332.429 2.183 30 50 EEEA C=C(C)COc1cccc(C(=O)N[C@@H](COC)c2ccnn2C)c1 55308525 AMQOLPZVTZCURS-INIZCTEOSA-N 329.400 2.493 30 50 EEEA Cc1cccnc1N1CCN(Cc2cc(C#CCO)cs2)CC1 67973964 BDJADGSMPYKYDO-UHFFFAOYSA-N 327.453 2.118 30 50 EEEA C#CCOc1ccc(CN2CCC3(CC2)CNC(=O)C3)cc1Cl 65459156 QTNABMQGKMBHNR-UHFFFAOYSA-N 332.831 2.454 30 50 EEEA CC(C)N1CCN(CCCN2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 253398326 JUVWKWQPYTZJFB-VQTJNVASSA-N 348.535 2.330 30 50 EEEA C=CCOC(=O)N1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67851257 GIEIFUMJLRSKMM-AWEZNQCLSA-N 342.399 2.073 30 50 EEEA CO[C@H]1CN(C(=O)c2ccccc2C#N)C[C@H]1Cc1cc(C)no1 1704352869 KYNUCXJNNRQNTC-PBHICJAKSA-N 325.368 2.184 30 50 EEEA COc1ccc(CN2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1 13735237 OWGLRKHFNVLXIX-UHFFFAOYSA-N 329.425 2.481 30 50 EEEA C#C[C@H](CC1CCOCC1)NC(=O)c1ccc(N(C)C(=O)C=C)cc1 1875373655 JRJIQPROLRTJKZ-QGZVFWFLSA-N 340.423 2.384 30 50 EEEA N#Cc1cc2c(nc1SCC(=O)N1CCOCC1)CCCCC2 69812 JYAIKSIGGORELE-UHFFFAOYSA-N 331.441 2.173 30 50 EEEA O=C1OCCN1CC(=O)N(CC#Cc1ccccc1)C1CCCC1 55280980 UPBOTQPRMHZEOL-UHFFFAOYSA-N 326.396 2.262 30 50 EEEA CC#CC(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 253392275 KQPASYVMPCBKGI-UHFFFAOYSA-N 339.361 2.097 30 50 EEEA Cc1oc(C#N)cc1C(=O)NC1CCC(O)(c2cccnc2)CC1 280969759 BYLNTCJGWDCOEQ-UHFFFAOYSA-N 325.368 2.415 30 50 EEEA COCCN1C[C@@]2(CCCN(Cc3cccc(C#N)c3)C2)CCC1=O 77452815 SRGKPPPHDLJYPF-FQEVSTJZSA-N 341.455 2.409 30 50 EEEA COc1ccc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)cc1C#N 152698637 SDYLJJQOVBJTOA-MRXNPFEDSA-N 335.363 2.230 30 50 EEEA COCCn1ccnc1[C@@H]1CCCN(c2ccnc(OC)c2C#N)C1 91964984 JFXVCNYWMREGRU-CQSZACIVSA-N 341.415 2.189 30 50 EEEA N#Cc1c(CNc2ccc(-n3cc(CO)nn3)cc2)cn2ccccc12 193480100 QAHOIDNBYPTLAP-UHFFFAOYSA-N 344.378 2.496 30 50 EEEA Cc1nc(C#N)ccc1C(=O)N=c1ccn(-c2ncccc2Cl)[nH]1 1875379397 TVKDPONZERODTJ-UHFFFAOYSA-N 338.758 2.170 30 50 EEEA CCN(CC#N)S(=O)(=O)[C@H]1C[C@H]1c1ccccc1Br 1875362893 XXJPADRYSXVMAA-AAEUAGOBSA-N 343.246 2.480 30 50 EEEA C=C(C)COc1ccccc1CN1CCC[C@@H](C(=O)NCCCO)C1 55344701 MCIFANISOUMGRT-GOSISDBHSA-N 346.471 2.352 30 50 EEEA N#Cc1cnc(N[C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)cn1 436786425 IZTFQCWMKDNMDU-RDJZCZTQSA-N 332.367 2.476 30 50 EEEA CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)n1ccc(C(F)(F)F)cc1=O 330795202 DRLGNCQASWOLKD-QMTHXVAHSA-N 329.322 2.483 30 50 EEEA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1ccc(F)c(C#N)c1 328640935 XQOQTGNMERJSEK-UHFFFAOYSA-N 348.403 2.051 30 50 EEEA N#CC1(c2ccccc2)CCN(c2cc(C3CC(O)C3)nc(N)n2)CC1 220328253 DYQYGBVRZLVWBH-UHFFFAOYSA-N 349.438 2.359 30 50 EEEA N#Cc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1 299767559 IIVFTGMJBNNACK-UHFFFAOYSA-N 345.410 2.173 30 50 EEEA CCn1nc(C)c([N+](=O)[O-])c1Nc1cnn(-c2ncccc2C#N)c1 192770472 WATHEYUTQLQOMY-UHFFFAOYSA-N 338.331 2.316 30 50 EEEA C/C(=N\N=C1\NC(=O)[C@H](CC(=O)NCc2ccccc2)S1)C(C)C 6615806 DYIBUAQFTFNFQA-PVGUKEHMSA-N 346.456 2.312 30 50 EEEA CS(C)(=O)=NCC1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 952992896 LACITCCOIKGPOA-UHFFFAOYSA-N 336.417 2.410 30 50 EEEA CC#CCn1c(=O)n(C[C@H]2CCCN2CC)c2ccc(C(=O)O)cc21 55283530 ASXZXUHXLIAGJD-OAHLLOKOSA-N 341.411 2.009 30 50 EEEA N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 281342907 KAGKQELITYIBTE-GUDVDZBRSA-N 341.455 2.190 30 50 EEEA Cc1ccc(S(=O)(=O)C[C@@H](O)COc2ccc(C#N)cc2)c(C)c1 1399254 ZUYPBZSZGYKHOD-INIZCTEOSA-N 345.420 2.389 30 50 EEEA C[C@@H]1CN(C(O)=Nc2cnc3c(c2)CCCC3)CCN1CC(C)(C)O 328605577 JSOQCKVCVLAISJ-CQSZACIVSA-N 346.475 2.283 30 50 EEEA N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cnc(C(F)(F)F)nc1 123843792 OLEYHHZBQQSIIJ-LLVKDONJSA-N 334.257 2.457 30 50 EEEA Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cccc(CC#N)c1 368123441 XGXGJYOGZRMQSW-SFHVURJKSA-N 333.391 2.374 30 50 EEEA CCCc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1 17070460 JYVAOAOZQABLHD-BOPFTXTBSA-N 334.397 2.363 30 50 EEEA CSCCCN1C[C@H](C2CC2)[C@@H](NC(=O)c2ccc(C#N)nc2)C1 91391202 MAUWSYFPQWYRAI-SJORKVTESA-N 344.484 2.147 30 50 EEEA CO[C@H]1CCCN(c2cc(C)nc(N3CCC[C@H](OC)C3)c2C#N)C1 408524504 VERQWZYOHWUQDJ-HOTGVXAUSA-N 344.459 2.492 30 50 EEEA CCc1nnc([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)[C@H]2C)o1 952852859 ZDBMFDCPEKWGLS-FZMZJTMJSA-N 325.372 2.307 30 50 EEEA COC(=O)[C@@H]1C(=O)[C@@H](C(=O)/C=C/c2ccccc2)C(=O)CC1(C)C 100319742 FNNWAQYAEWAHFA-IGXNXKSNSA-N 328.364 2.242 30 50 EEEA biogenic CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)N=c2cc[nH]cc2F)cn1 328640595 XNNZAGRTFPQBMD-LSDHHAIUSA-N 333.367 2.105 30 50 EEEA C[C@@H]1CCO[C@@H]1C(=O)NCC1CCN(c2ccccc2C#N)CC1 366360096 BXRJEWBKUXWBEI-KDOFPFPSSA-N 327.428 2.316 30 50 EEEA N#Cc1nc(NC[C@@]2(N3CCOCC3)CCSC2)ccc1Cl 301154079 QMFAXLXSFGUAAH-HNNXBMFYSA-N 338.864 2.226 30 50 EEEA N#CCC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 390833746 MIRFGYRHRWRAAR-UHFFFAOYSA-N 349.346 2.214 30 50 EEEA Cc1nnc(NC[C@@H]2CCCN(C)[C@H]2c2cncn2C)c(C#N)c1C 888076409 HUYRSPUBOOLDTJ-WMLDXEAASA-N 339.447 2.194 30 50 EEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccs1 19582817 RSMBIEQXAZDGKY-CQSZACIVSA-N 346.408 2.481 30 50 EEEA N#Cc1ccc(OC[C@@H](O)CNCCCc2cccc(O)c2)cc1 2325754376 NQRPQBNLWXVJJV-SFHVURJKSA-N 326.396 2.226 30 50 EEEA C#CCCC1(CCC(=O)N(C)c2ccc(N3CCOCC3)nc2)N=N1 2325892272 HCFIGTQTARUAOE-UHFFFAOYSA-N 341.415 2.237 30 50 EEEA C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)CCN(C)C2 3902128 QMVFARCDJOPVJH-UHFFFAOYSA-N 339.486 2.385 30 50 EEEA CC(C)Cn1cnc(S(=O)(=O)/N=C(/O)[C@@H]2C[C@H]2c2cccnc2)c1 328594584 WAQYOANMAVPSJN-UONOGXRCSA-N 348.428 2.383 30 50 EEEA CC1(C)OB(c2ccc(CCCN3CCOCC3)cc2)OC1(C)C 195812642 SCJOIYSLULEOAM-UHFFFAOYSA-N 331.265 2.251 30 50 EEEA N#Cc1ccc(S(=O)(=O)CCn2cccn2)cc1C(F)(F)F 195580569 OPDWISWECHVBQR-UHFFFAOYSA-N 329.303 2.247 30 50 EEEA C=CCc1c(C)[nH]c(SCc2nc3ccccc3c(=O)[nH]2)nc1=O 8667248 YBAOBIASXRKCPH-UHFFFAOYSA-N 340.408 2.336 30 50 EEEA CCCn1cc(N=C(O)N2CCOC[C@H]2c2nnc(C(C)C)o2)cn1 328633322 SLWNWBWYHQXIJB-ZDUSSCGKSA-N 348.407 2.419 30 50 EEEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@H]2C1 334157997 GZZFBDQOIJHXCT-ZJUUUORDSA-P 337.368 2.123 30 50 EEEA Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 167211870 BVJQHJMDSGDSAT-LRDDRELGSA-N 341.371 2.150 30 50 EEEA C[C@@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 194083465 WEVAIHXMJHXFEV-PELKAZGASA-N 340.305 2.223 30 50 EEEA N#C[C@@H]1CN(/C(O)=N/CC(F)(F)F)C[C@]12C(O)=Nc1ccccc12 328586379 FWOTWYSPOAVBFD-OTYXRUKQSA-N 338.289 2.458 30 50 EEEA Cc1nnc([C@]23CCC[C@H]2CN(c2nc4ccccn4c2C#N)C3)o1 912373219 KHGLBPYSAAZGCZ-UGSOOPFHSA-N 334.383 2.456 30 50 EEEA N#CCN(C1CC1)S(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1 871841046 VMXCIMHQUJNSEQ-UHFFFAOYSA-N 348.302 2.080 30 50 EEEA N#Cc1ccc(N2CCc3c(O)nc(O)nc3C2)cc1C(F)(F)F 1875306437 GCZONBKJUAYTDZ-UHFFFAOYSA-N 336.273 2.341 30 50 EEEA CN(C)Cc1cc(O[C@H]2CCN(Cc3cc(C#N)n(C)c3)C2)ccn1 886081976 OZHLHPVZEBBHGM-IBGZPJMESA-N 339.443 2.007 30 50 EEEA CCN1C(=O)CC[C@H](CNc2cccnc2C#N)[C@H]1c1cnn(C)c1 888102879 SFJCUZFXZVXYAE-ACJLOTCBSA-N 338.415 2.098 30 50 EEEA C[C@H](O/N=C(\N)C1CCOCC1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 230223678 WUFOGLZTDUSSOI-UKTARXLSSA-N 325.453 2.031 30 50 EEEA CC(C)N(C)c1cccc(N=C(O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c1 330525057 BYSRDJYCCAUJBC-JKSUJKDBSA-N 348.491 2.464 30 50 EEEA Cc1cncc(/C=C/C(O)=N/CC2CCN(CC(=O)N(C)C)CC2)c1 328593557 ILODKDBYQYJFMC-SNAWJCMRSA-N 344.459 2.160 30 50 EEEA C[C@@H](C/N=C(/O)N1CCC(c2cnc[nH]2)CC1)CC1(C)OCCO1 328587854 BZGLNYBQIUNUBO-CYBMUJFWSA-N 336.436 2.292 30 50 EEEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2ccn3cncc3c2)cn1 328625209 KLOMHOHBJWKZPD-JKSUJKDBSA-N 325.372 2.386 30 50 EEEA N#Cc1c(N2CCN(Cc3cccc(F)c3)C(=O)C2)nc2ccccn12 253427029 BSSHZBDFHBSDHA-UHFFFAOYSA-N 349.369 2.194 30 50 EEEA CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CCS1 152097356 MTVVMOMGEAJYPT-ZDUSSCGKSA-N 328.434 2.459 30 50 EEEA O=C(C#Cc1ccccc1)Nc1ccc(CC(=O)N2CCOCC2)cc1 176018580 XTNNVJCBZICJLA-UHFFFAOYSA-N 348.402 2.078 30 50 EEEA CC1(C)OB(c2ccc(NC(=O)Nc3ncccn3)cc2)OC1(C)C 1772718386 BQTOVEWOGGCEML-UHFFFAOYSA-N 340.192 2.420 30 50 EEEA N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 328588769 PPSZSCUHRMZNFC-HNNXBMFYSA-N 343.350 2.059 30 50 EEEA CN1CCC(n2ccc(NC(=O)COc3ccc(C#N)cc3)n2)CC1 225619481 QZLRWULZAZMKDA-UHFFFAOYSA-N 339.399 2.039 30 50 EEEA C=CCNc1ccccc1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 65394460 XOLZNXFLJRLLNT-GOSISDBHSA-N 335.407 2.337 30 50 EEEA CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(c2ccc(F)cc2)CC1 252502869 UWBVEFJBCGYDOY-CYBMUJFWSA-N 339.436 2.173 30 50 EEEA CC(C)C[C@H](C/N=C(/O)Nc1cccc2c1OCO2)N1CCOCC1 329485259 XBNDFFUWTGXIQC-CQSZACIVSA-N 349.431 2.488 30 50 EEEA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2cc(C#N)oc2C)c1 282516436 OIPBKGKIMOZBKR-GUYCJALGSA-N 326.352 2.416 30 50 EEEA C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)c1ccccc1 182453697 UYPITJJFDOBULC-OAHLLOKOSA-N 335.411 2.132 30 50 EEEA Cc1cc(C(F)(F)F)n(C[C@@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 299786107 IUUYSDKTVUATSI-VIFPVBQESA-N 339.321 2.476 30 50 EEEA O=C1N/C(=N/S(=O)(=O)c2ccccc2)S/C1=C\c1cccnc1 6140748 RSYDPBQSNWRHDG-LCYFTJDESA-N 345.405 2.030 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)c3ccnc(O)c3)CC2)c(Cl)c1 390833182 DFNQHIKOTJBYIL-UHFFFAOYSA-N 342.786 2.275 30 50 EEEA C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(C(F)(F)F)n2)C1=O 390835580 RIOFLRJHCFFVQO-JTQLQIEISA-N 342.321 2.351 30 50 EEEA N#Cc1ccc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)nc1 952848856 VSGLCXGFIQZZBT-CABCVRRESA-N 348.410 2.215 30 50 EEEA Cc1cccn2c(CNC(=O)c3ccc(C#CC(C)(C)O)o3)cnc12 65461677 OJTKSXBMVMBUPO-UHFFFAOYSA-N 337.379 2.288 30 50 EEEA C=CCN(CC#Cc1ccccc1)Cc1cnc(NCC(=O)O)nc1 55253824 HZEOFEXAGIGCFF-UHFFFAOYSA-N 336.395 2.013 30 50 EEEA CN(C)C(=O)c1ccnc(N=C(O)N2CCC[C@H]2C2CCOCC2)c1 329017140 GOJVRYFUDZQPFY-HNNXBMFYSA-N 346.431 2.220 30 50 EEEA N#Cc1cccc(CN(CC(F)F)C2CCS(=O)(=O)CC2)c1 253420201 NXYGKDPSOUBUDG-UHFFFAOYSA-N 328.384 2.203 30 50 EEEA C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 295590090 HAVJOEVFDZKXCO-DOTOQJQBSA-N 348.402 2.120 30 50 EEEA CC#CC(=O)NC[C@H](NC(=O)C#CC)c1cccc(C(F)(F)F)c1 408515939 XEBOFNVKTCNAOJ-AWEZNQCLSA-N 336.313 2.026 30 50 EEEA CN(CCNC(=O)c1cc(C#N)cs1)C(=O)c1cc(C#N)cs1 170603154 JIBGNDIXSMQGLH-UHFFFAOYSA-N 344.421 2.055 30 50 EEEA Cc1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1C#N 188145131 SBCWTZVPUJFQDI-UHFFFAOYSA-N 326.328 2.129 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccc(C#N)cc2F)C1 328614814 WYAVIHRPYQLCMW-INIZCTEOSA-N 329.335 2.471 30 50 EEEA Cn1ncc(C(=O)N2CCCc3cccc(OC(F)F)c32)c1C#N 332071860 VZGLUMYSSUNYIU-UHFFFAOYSA-N 332.310 2.486 30 50 EEEA COCCCN1C[C@@]2(CCCN(c3ncccc3C#N)C2)CCC1=O 72479014 KLEFFSGONLXOPX-LJQANCHMSA-N 342.443 2.199 30 50 EEEA N#Cc1c(NC(=O)c2noc3c2CCCCC3)nc2n1CCS2 128015032 ZAPISXNTUHLCSA-UHFFFAOYSA-N 329.385 2.370 30 50 EEEA Cn1cc(CN2CCCN(C(=O)c3ccccc3F)CC2)cc1C#N 191220507 YBYKWCRPJSXAKS-UHFFFAOYSA-N 340.402 2.384 30 50 EEEA C=CCC(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 12306107 UDPVNLXOIMFUFQ-GOSISDBHSA-N 343.471 2.384 30 50 EEEA COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)c1 67017 OZVIGXKOKGWXNH-MRXNPFEDSA-N 326.356 2.317 30 50 EEEA O=S1(=O)CCC[C@@H](N/C(O)=N/CC2CC(c3ccccc3)C2)C1 328700842 MYMPQMNZIPTKMY-AVVWSFFYSA-N 336.457 2.261 30 50 EEEA CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)/C(O)=N/Cc1ccco1 328631400 KMVKOJLBBJBZCY-GJZGRUSLSA-N 347.394 2.028 30 50 EEEA N#Cc1ncn(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)n1 330226310 ORLZBGWOJNRBAW-CYBMUJFWSA-N 336.355 2.045 30 50 EEEA C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1CCOc1ccccc1C#N 284716641 HJMPNRZIXFSBLK-LNLFQRSKSA-N 330.428 2.189 30 50 EEEA C/C(=C/c1ccc(-n2cncn2)c(C)c1)c1nc(C)c(C#N)c(=O)[nH]1 193610405 JNKGNYOUGSVKJI-GHXNOFRVSA-N 332.367 2.400 30 50 EEEA C=CCS(=O)(=O)N[C@@H](C)c1cnn(-c2ccc(OC)cc2)c1C 14978215 OXTYODUTUWXLMO-LBPRGKRZSA-N 335.429 2.356 30 50 EEEA C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N1CC[C@@H](C#N)C1 1875268079 NNYJQBAXZUNMIN-RYUDHWBXSA-N 342.424 2.329 30 50 EEEA N#Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 553386 AYQJOSYJFFLTJG-UHFFFAOYSA-N 336.380 2.265 30 50 EEEA 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338.261 2.411 30 50 EEEA CCN1CC[C@]2(CCC1=O)CN(Cc1ccc(C#N)cc1)CCN2C 91452735 RMNCNFVPMMNAIA-HXUWFJFHSA-N 340.471 2.077 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N[C@@H]2COc3ccccc3C2)o1 1506424787 NFFXIEGPDDXQNV-AWEZNQCLSA-N 325.364 2.136 30 50 EEEA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=S)cc2)cc1 2543140 MMELOGJEYXEKIE-YBFXNURJSA-N 343.408 2.472 30 50 EEEA Cc1cc(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)c(C#N)cn1 818145522 LLGLTDCWEUTMGD-SFHVURJKSA-N 339.399 2.096 30 50 EEEA N#CCOc1ccccc1C(=O)NC[C@@H]1CC(=O)Nc2ccccc21 364256291 MOYULAULWVKAJH-ZDUSSCGKSA-N 335.363 2.445 30 50 EEEA Cc1noc([C@@H]2CN(Cc3ccc(Cl)cc3C#N)CCN2C)n1 284608658 LOZOCMOBDLDYEQ-HNNXBMFYSA-N 331.807 2.392 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)COc2ccccc2C)cc1OC 4318684 VMIJHFNMLKIEFL-UHFFFAOYSA-N 344.367 2.255 30 50 EEEA Cc1noc([C@@H](N/C(O)=N/CCOCC(C)C)C2CCOCC2)n1 328634283 TYOLBLHJXGDDGJ-AWEZNQCLSA-N 340.424 2.022 30 50 EEEA CN(C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O 239653726 BKXWWGLNOMEQTA-OALUTQOASA-N 335.407 2.329 30 50 EEEA C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C(\N)CN1[C@H](C)CCC[C@H]1C 239882358 DBKVBVWKMFISSP-FPCVCCKLSA-N 338.496 2.233 30 50 EEEA C[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc23)C[C@H](CO)O1 302738715 BXHFZSUBLQJEHJ-ZWNOBZJWSA-N 349.337 2.294 30 50 EEEA C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cc(Br)ccc1F 132354477 QBQFSQBOXOBONN-QMMMGPOBSA-N 342.168 2.287 30 50 EEEA C[C@H]1CN(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)C[C@@H](C)O1 1775977760 WLXLPVBGWVUKNV-TXEJJXNPSA-N 347.396 2.011 30 50 EEEA C=CCOC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 20725727 FBXUFLWRPZQGOY-MRXNPFEDSA-N 344.377 2.391 30 50 EEEA C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 2468941 SJTKZGOTDFJUKA-HUUCEWRRSA-N 329.356 2.418 30 50 EEEA N#Cc1cccnc1N1CCN(Cc2ccccc2F)[C@H](CCO)C1 106949981 OPSKTIUBRWMQCL-QGZVFWFLSA-N 340.402 2.166 30 50 EEEA CC1(C)C[C@]1(C#N)NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 291809538 XVTBUWQAYGUNDW-LJQANCHMSA-N 338.411 2.212 30 50 EEEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1[nH]nc(CC)c1Br 281635539 XVHUACIYWNPUSU-ZANVPECISA-N 342.237 2.446 30 50 EEEA COCC(=O)Nc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1Cl 952972006 LYQZGYFZAMUIDB-UHFFFAOYSA-N 332.747 2.377 30 50 EEEA Cc1ccc(C#N)c(N2CC[C@H](c3ccc4c(c3)OCO4)[C@@H](O)C2)n1 1565510149 DBQQYSYHKOMDFG-CVEARBPZSA-N 337.379 2.345 30 50 EEEA CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1cc(C#N)ncn1 952992976 ZNZOSHRBIYJURY-SNVBAGLBSA-N 336.321 2.262 30 50 EEEA CC1(C)C[C@H](CC(N)=O)N(c2ncc(Br)cc2C#N)C1 2325790744 HCEMQKRSLTWVKV-NSHDSACASA-N 337.221 2.196 30 50 EEEA CCOCC/N=C(/O)N1CCC[C@@H](N(C(C)=O)C2CCC2)CC1 328646534 SQVHKZBBKBFBJR-MRXNPFEDSA-N 325.453 2.192 30 50 EEEA N#C[C@@H]1CC[C@H](N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 293350336 DPXHHBFHTRRXNO-ZBFHGGJFSA-N 331.391 2.041 30 50 EEEA Cc1[nH]c(CN2C[C@@H]3CC[C@H]2CN(C(=O)c2ccccn2)C3)cc1C#N 1565514695 CGZASTFIWPNUTG-YJBOKZPZSA-N 349.438 2.326 30 50 EEEA C#CCCC1(CCC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)N=N1 952879174 ATUWVLNCRRBCPM-QWHCGFSZSA-N 331.376 2.022 30 50 EEEA CC1(C)CCc2sc(NC(=O)[C@H]3CCc4nnnn4C3)c(C#N)c21 2325814569 MYIQPGVRNQAERJ-VIFPVBQESA-N 342.428 2.031 30 50 EEEA CCOC(=O)c1cn2cc(C)cc(B3OC(C)(C)C(C)(C)O3)c2n1 170006790 YPNLKIANAXHTLM-UHFFFAOYSA-N 330.193 2.119 30 50 EEEA O/C(Cc1cc[nH]n1)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328645927 ZUUDOQFFKWEWAC-SECBINFHSA-N 327.310 2.387 30 50 EEEA N#CC1(NS(=O)(=O)c2cnn(CC(F)F)c2)CCCCCC1 195574621 SWNHKRZJUCEGPW-UHFFFAOYSA-N 332.376 2.043 30 50 EEEA Cc1ccc(CS(=O)(=O)Nc2cc(C)nn2CCC#N)c(F)c1 225584235 WUCQYXPOZPLKGI-UHFFFAOYSA-N 336.392 2.495 30 50 EEEA O=S1(=O)CCC2(CC1)C[C@@H]2/C(O)=N/C[C@@H]1CCCCN1C1CC1 329347496 RTVZPFLBHZWPNJ-LSDHHAIUSA-N 340.489 2.175 30 50 EEEA C[C@H](NC(=O)[C@@H]1COCCN1C1CCCC1)c1cccc(C#N)c1 253425382 IVWVCKUIYLQSED-KSSFIOAISA-N 327.428 2.379 30 50 EEEA C#CCO[C@H]1CCCN(C(=O)CCc2cccc3c2OCCO3)C1 1875349787 MUYAGAJRFMQHAT-INIZCTEOSA-N 329.396 2.031 30 50 EEEA C#CCCC1(CCNC(=O)c2c(C(F)F)nc3cnccn23)N=N1 1875381190 MVYQOFQDTSTCFS-UHFFFAOYSA-N 332.314 2.362 30 50 EEEA CN(C(=O)CN1CCC[C@]2(CCCCO2)[C@H]1C#N)c1nccs1 225729945 XGRDZYDTPADKIE-CZUORRHYSA-N 334.445 2.033 30 50 EEEA CC(=O)N1CSC[C@H]1C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 371410811 VAGWKUFQPNFDPF-KRWDZBQOSA-N 341.436 2.095 30 50 EEEA COc1cccc(N2CCN(Cc3cc(C#N)n(C)c3C)CC2=O)c1 82120163 VRWDYVUBAIMFST-UHFFFAOYSA-N 338.411 2.063 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)Cc3cccnc3)CC2)c(Cl)c1 277473020 BAZDLQFXFRFTOK-UHFFFAOYSA-N 340.814 2.498 30 50 EEEA C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)C1 656717691 NMSJSTMPYNIXAA-CYBMUJFWSA-N 339.413 2.127 30 50 EEEA Cc1cccc([C@@H](NC(=O)c2ccc(C#CC(C)(C)O)o2)C(=O)O)c1 1506421458 JUYZXLGACQBXKF-MRXNPFEDSA-N 341.363 2.266 30 50 EEEA O=S(=O)(O[N@]1CC1(C(F)(F)F)C(F)(F)F)c1ccccc1 1857666655 CKWMYBMYJVUCMK-QGZVFWFLSA-N 335.225 2.486 30 50 EEEA Cc1cccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c1 5092640 FVGDEBVWYMQYMR-UHFFFAOYSA-N 329.312 2.146 30 50 EEEA C=CCCC(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCOCC3)ncc21 12387322 DXXBXWIKYHABME-HNNXBMFYSA-N 344.459 2.409 30 50 EEEA C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1ccccc1)C2 19147322 JQCXRLCBOGCGFL-INIZCTEOSA-N 338.455 2.418 30 50 EEEA C=CCc1ccccc1OC[C@H](O)CN1C(=O)c2ccccc2C1=O 303649 FXWPWOBBSJXBIX-OAHLLOKOSA-N 337.375 2.451 30 50 EEEA C#CCN(CC=C)Cc1c(C(=O)N2CCCC2)nc2sccn12 20205704 PEYJCQKMJJPNAW-UHFFFAOYSA-N 328.441 2.253 30 50 EEEA C=CCNCC[C@H]1CCC(=O)N1Cc1cc(OC)c(OC)c(OC)c1 299779926 RHDZTRZAZINRNY-OAHLLOKOSA-N 348.443 2.369 30 50 EEEA N#CC1(C(=O)N2CC(OCCCc3ccccc3)C2)CCOCC1 267485938 DQXVWFJPHSVYEO-UHFFFAOYSA-N 328.412 2.167 30 50 EEEA C=C(C)CNC(=O)c1ccc(OC)c(OC2CCN(C(C)=O)CC2)c1 14981339 BURWVTFKJVYVOE-UHFFFAOYSA-N 346.427 2.391 30 50 EEEA C[C@H](NC(=O)[C@H]1COCCN1C1CCCC1)c1cccc(C#N)c1 253425376 IVWVCKUIYLQSED-KBXCAEBGSA-N 327.428 2.379 30 50 EEEA Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 367372683 UECNJUJHLIXXDL-QGZVFWFLSA-N 337.427 2.352 30 50 EEEA Cn1c(O)nnc1[C@H]1[C@H](C2CC2)CCN1c1nccc(C#N)c1Cl 1875399927 MHCOWQNQXJBWSZ-WCQYABFASA-N 344.806 2.418 30 50 EEEA C#C[C@H](NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C(C)C 225594673 BAEFVTGWWWSCCQ-ZDUSSCGKSA-N 342.848 2.201 30 50 EEEA O/C(=N/C1CC(C(F)(F)F)C1)N1CCC[C@@H](Cn2ccnn2)C1 329697713 FKCHWWREHZSZPH-VOMCLLRMSA-N 331.342 2.245 30 50 EEEA CN(C)c1ncc2c(n1)CCC[C@@H]2NCc1cc(C#CCO)cs1 15065606 ZJALSDHLODSSBB-INIZCTEOSA-N 342.468 2.115 30 50 EEEA O=C1C=C/C(=N/S(=O)(=O)c2ccc(F)cc2)C=C1Br 15767647 LXYJOYNJBSSBSH-DHDCSXOGSA-N 344.161 2.373 30 50 EEEA C=CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 4845056 ZAGVHGVFZBMMND-MRXNPFEDSA-N 346.383 2.069 30 50 EEEA Cc1ccc(S(=O)(=O)C[C@H](O)COc2ccc(C#N)cc2)cc1 1399249 TWZLAZDMSDVYLJ-OAHLLOKOSA-N 331.393 2.080 30 50 EEEA C=CC[C@@]1(CO)CCCN(C2CCN(C(=O)c3ccncc3)CC2)C1 91595978 FDAVBAKLGPKCNH-HXUWFJFHSA-N 343.471 2.337 30 50 EEEA CN(CCN1CCCCCC1)C(=O)c1ccc(C#CC(C)(C)O)o1 952974850 KNLHNHOLRKHGCJ-UHFFFAOYSA-N 332.444 2.350 30 50 EEEA COc1ccc(Cl)cc1N1CC[C@H](NC(=O)CSCC#N)C1 170663703 DOAOEWVHTHTKOA-LBPRGKRZSA-N 339.848 2.300 30 50 EEEA Nc1nnnn1/N=C/c1ccc(-c2ccc(Br)cc2)o1 317932 DQKJDWOTDLCGGM-VIZOYTHASA-N 333.149 2.160 30 50 EEEA COc1ccc(C/C(N)=N/OC(=O)COc2ccccc2C)cc1 4191813 KVHBPRIKVFCREU-UHFFFAOYSA-N 328.368 2.441 30 50 EEEA COCCOCCOCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169975056 BVYKKTHGPBRAFO-UHFFFAOYSA-N 336.237 2.165 30 50 EEEA COC(=O)c1cc(CSC[C@H](C)S(C)(=O)=O)ccc1C#N 1875290820 DTIPXYPJHKRLKI-JTQLQIEISA-N 327.427 2.011 30 50 EEEA Cn1c(O)nnc1[C@@H]1[C@H](C2CC2)CCN1c1nccc(C#N)c1Cl 1875399925 MHCOWQNQXJBWSZ-AAEUAGOBSA-N 344.806 2.418 30 50 EEEA COc1cc(Cl)ccc1CSc1nc(=O)n2ncc(C#N)c2[nH]1 2325863718 URPLBHDUEOVXNX-UHFFFAOYSA-N 347.787 2.244 30 50 EEEA CCN(CC)CCO/C(O)=N/S(=O)(=O)c1ccccc1Cl 22016119 LSCDCCPLBKINRS-UHFFFAOYSA-N 334.825 2.301 30 50 EEEA C=C(C)COc1ccccc1CNC1CCN(S(C)(=O)=O)CC1 65417105 HHSBPAURPFZZLT-UHFFFAOYSA-N 338.473 2.155 30 50 EEEA COC(=O)c1cc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)c(C)o1 71776457 BABAVNNUMBPFTE-SNVBAGLBSA-N 327.340 2.394 30 50 EEEA C[C@H](C1CCN(C(=O)c2cccc(C#N)c2)CC1)N1CCOCC1 72418264 DYLCKIHRHZZKFF-OAHLLOKOSA-N 327.428 2.131 30 50 EEEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3cccc(C(F)(F)F)c3)[C@@H]2C1 334157994 GZZFBDQOIJHXCT-NXEZZACHSA-P 337.368 2.123 30 50 EEEA COc1ccc(CC(=O)O/N=C(\N)Cc2ccc(OC)cc2)cc1 4191702 LRFMDQXTUVCHCQ-UHFFFAOYSA-N 328.368 2.304 30 50 EEEA biogenic COc1ccc(Cc2ncc3c(n2)CN(C(=O)C2(C#N)CC2)C3)cc1 67655092 OFPAUEDSAIXLHP-UHFFFAOYSA-N 334.379 2.222 30 50 EEEA N#Cc1ccccc1-c1ccc(CN2C[C@H]3C[C@H](O)[C@@H](O)C[C@H]3C2)o1 216006469 PDJZIDBJWYZBBJ-QXGSTGNESA-N 338.407 2.382 30 50 EEEA N#Cc1ncn(Cc2cc3c(cc2Br)OCCO3)c1C#N 180420005 VURPBKKVEGDQRN-UHFFFAOYSA-N 345.156 2.208 30 50 EEEA Cn1cc(C#N)cc1-c1nc(C2CCOCC2)nn1[C@@H]1CCOC1 1772818115 MHWAEBAAWLFTDW-CQSZACIVSA-N 327.388 2.011 30 50 EEEA C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 337725755 MDXJGUMZLUFRPA-CZUORRHYSA-N 338.411 2.342 30 50 EEEA Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1 363395756 MRSNYAJELDFULM-MRXNPFEDSA-N 337.427 2.226 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 549848 ORZOBXWUPAGSNK-OAHLLOKOSA-N 339.307 2.479 30 50 EEEA N#Cc1ccc(N2CCC(NC(=O)c3ccc(O)cc3F)CC2)nc1 163095041 GDWLSXBTKDMYEW-UHFFFAOYSA-N 340.358 2.197 30 50 EEEA C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccnc(-n2cccn2)c1 170605834 FFLCWPQGGJUYNV-AWEZNQCLSA-N 347.378 2.223 30 50 EEEA CCCS(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 204057636 RWCPSAPBTCXUDW-UHFFFAOYSA-N 325.239 2.138 30 50 EEEA CCc1nnsc1/C(O)=N/[C@H](c1nc(C)no1)C1CCOCC1 328609611 FEDDJCUKJRLTBY-NSHDSACASA-N 337.405 2.264 30 50 EEEA CN1C(=O)C[C@@H](Nc2cc(C#N)c3ccccc3n2)[C@@H]1c1ccnn1C 344232240 SWFMODAYUHUNCC-DNVCBOLYSA-N 346.394 2.224 30 50 EEEA C=CCNC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 247974577 FHPPARNASWIELB-WMHQRMGPSA-N 340.379 2.064 30 50 EEEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc2c1CCC2 155590033 XTICNWCZARFROH-CQSZACIVSA-N 347.422 2.188 30 50 EEEA N#CCCN(CCN1CCOCC1)C(=O)c1ccc(Cl)c(F)c1 131601477 NQZDTAKVKFVAQJ-UHFFFAOYSA-N 339.798 2.167 30 50 EEEA N#C[C@H](CO)Cc1cc(-c2ccc3c(c2)C(=O)NCCO3)ccc1F 904856907 KPXUCYKKNKQRLI-GFCCVEGCSA-N 340.354 2.289 30 50 EEEA C=C(C)CNC(=O)C(F)(F)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1875275514 GZYFAVDNZVPGLY-UHFFFAOYSA-N 348.390 2.076 30 50 EEEA CO[C@H]1C[C@H](c2nnc(C)o2)N(CCOc2ccccc2C#N)C1 1775962239 AFKCQUFPHILHMY-LSDHHAIUSA-N 328.372 2.091 30 50 EEEA C#C[C@@H](NC(=O)c1cc(C(N)=O)ccc1F)[C@@H]1CCc2ccccc21 2325864058 FSBSCSHQQBOEDV-CRAIPNDOSA-N 336.366 2.386 30 50 EEEA C#CCCC1(CCNC(=O)[C@@]2(N(C)C)CCOc3ccccc32)N=N1 2325887490 WLNLYKUUAJSWBG-LJQANCHMSA-N 340.427 2.308 30 50 EEEA C#CCCC1(CCC(=O)NCc2nnc(-c3ccccc3)n2C)N=N1 2325892911 PQCRVGBQZXPKHP-UHFFFAOYSA-N 336.399 2.454 30 50 EEEA C[C@H](NC(=O)c1ccc(F)c(C#N)c1)C(=O)N1Cc2ccccc2C1 225463329 QWVGKZRTVNJAPC-LBPRGKRZSA-N 337.354 2.358 30 50 EEEA C=C(C)C[C@@H]1N(c2ccccc2)C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@]21O3 485693 IDZVBZRLNMBRMS-LAIHZFQQSA-N 325.364 2.392 30 50 EEEA biogenic COc1ccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1C#N 373342887 FALPOIJKJHHLJI-KRWDZBQOSA-N 326.400 2.236 30 50 EEEA C=C(C)CN(CC)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1cncn1C 284682904 XJLWJRAOWKGUFJ-CRAIPNDOSA-N 344.459 2.287 30 50 EEEA C#CCOc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1c1ccccc1 188052067 YUDSGDHJCIGCHG-SFHVURJKSA-N 349.390 2.404 30 50 EEEA CCc1ncc(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)s1 328639462 PNPZUHIGGIDKAG-UHFFFAOYSA-N 337.445 2.338 30 50 EEEA Cc1ccc(S(=O)(=O)OC[C@@H](C)[C@@H]2CS(=O)(=O)C2(C)C)cc1 1721840 JIOPURBIBVJCGQ-OCCSQVGLSA-N 346.470 2.160 30 50 EEEA N#Cc1ccsc1N1CC[C@H](N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1=O 245788707 VFWQSDONORHYBF-KBXIAJHMSA-N 331.441 2.272 30 50 EEEA CO[C@@H]1CCC[C@H]1/N=C(/O)N[C@H]1CCCN(Cc2ccccc2)C1=O 328588807 WVGFASYIORLNAJ-IXDOHACOSA-N 345.443 2.249 30 50 EEEA N#C[C@H]1CCCN(C(=O)c2cccc(-c3cncc(C(=O)O)n3)c2)C1 426387845 LCTPYBJAVNEAMB-GFCCVEGCSA-N 336.351 2.218 30 50 EEEA N#Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)ccc1F 375192529 ODJONPWPVJEVKQ-QGZVFWFLSA-N 337.354 2.228 30 50 EEEA C#C[C@]1(O)CCC[C@@H](NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 2325782396 WALZTKOFSVXIBG-FMKPAKJESA-N 342.222 2.450 30 50 EEEA C#CCCC1(CCC(=O)NC2(c3nnc4n3CCCC4)CCC2)N=N1 2325885784 ULRGUJQONSNMKT-UHFFFAOYSA-N 340.431 2.466 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](C(=O)OC)C2=CC[C@@H]3C[C@H]3C2)N=N1 2325892843 JPBNXTOSKGJKLR-IVMMDQJWSA-N 329.400 2.356 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2Cc3ccccc3[C@@H]2C(=O)OC)N=N1 2325892904 POLOMMPEHVCGFE-RDJZCZTQSA-N 339.395 2.340 30 50 EEEA N#C[C@H]1CSCCN1C(=O)Cc1cccc(Br)c1 342075770 NPCHACAIBATSHD-LBPRGKRZSA-N 325.231 2.459 30 50 EEEA CC(=O)N1CC[C@H](C/N=C(/O)c2cc(N(C)C)nc3ccccc23)C1 328591794 KOEUSENENPLMCN-CQSZACIVSA-N 340.427 2.474 30 50 EEEA CC(C)(C#N)CCCN1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 328639869 PSXVELXGTFAVFX-ZDUSSCGKSA-N 331.420 2.429 30 50 EEEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)C(=O)c1c[nH]c(C#N)c1 328642072 QUSZVWRHXKCDCA-JSGCOSHPSA-N 347.419 2.027 30 50 EEEA CCOC(=O)[C@@H]1CCc2nc(N)c(C#N)c(-c3cc(C#N)n(C)c3)c2C1 71638886 XNAPKLQNFAHTQG-LLVKDONJSA-N 349.394 2.081 30 50 EEEA CC(=O)NCc1cc(O[C@@H]2CCN(c3ccc(C#N)cc3)C2)ccn1 886043432 GEKXNZJUKKXFRR-LJQANCHMSA-N 336.395 2.247 30 50 EEEA C[C@H]1CCCCN1C1CN(C(=O)c2ccc(C#CC(C)(C)O)o2)C1 952977466 NRADAXCMQHKCBH-AWEZNQCLSA-N 330.428 2.101 30 50 EEEA N#Cc1ccc(NC2CC2)c(NS(=O)(=O)c2ccc(C#N)nc2)c1 193352724 OUELDXUSZUXRGG-UHFFFAOYSA-N 339.380 2.200 30 50 EEEA C[C@H]1CC[C@@H](CS(=O)(=O)N2CCC(c3ccc(C#N)cn3)CC2)O1 1875297688 AMBACLNPNZBAJS-BBRMVZONSA-N 349.456 2.030 30 50 EEEA Cc1oc(C#N)cc1C(=O)Nc1cccnc1N1CCC(CO)CC1 225499970 HCMXDCOUHMXXCO-UHFFFAOYSA-N 340.383 2.316 30 50 EEEA CC(=O)N(C1CCC1)[C@H]1CCCN(C(O)=Nc2cnn(C)c2)CC1 328643006 RGKOFEHOVHMDOU-INIZCTEOSA-N 333.436 2.221 30 50 EEEA Cc1nc2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2o1 215249475 ZHLQBQVHDHSRGO-UHFFFAOYSA-N 347.378 2.365 30 50 EEEA C=CCCC(=O)N1CCC[C@H](c2nnc(Cn3ccnc3C)n2C)C1 95386136 VIKGXQIPYCIVHV-HNNXBMFYSA-N 342.447 2.041 30 50 EEEA C=CC[C@@]1(CO)CCCN(S(=O)(=O)CCOc2ccccc2)C1 92022789 BVAOWEGQWJKMPF-QGZVFWFLSA-N 339.457 2.046 30 50 EEEA N#Cc1cnc(N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cn1 129167971 OVTYTRIBYVRPTO-CYBMUJFWSA-N 331.738 2.358 30 50 EEEA N#CCc1ccc(C(=O)N2CCCC[C@H]2CN2CCCC2=O)cc1 372286252 ZIZLLHQEMOPFPP-KRWDZBQOSA-N 325.412 2.370 30 50 EEEA Cc1nn(C(=O)/C(C#N)=N/Nc2ccccc2[N+](=O)[O-])c(C)c1C 4085239 CCVQMQINCJUVSY-QGOAFFKASA-N 326.316 2.348 30 50 EEEA CCc1nc(N)nc(N2CCN(Cc3ccccc3C#N)CC2)c1C 95375885 KCIKBEAZPKGSJR-UHFFFAOYSA-N 336.443 2.124 30 50 EEEA CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 245226945 TTZLOJRHGLDNSU-ICRPYMEDSA-N 336.391 2.472 30 50 EEEA COCC[C@H]1CN(CCCC(=O)Nc2ccc(C#N)cc2)CCO1 244691553 JEWYMELXTYVFBG-KRWDZBQOSA-N 331.416 2.014 30 50 EEEA C#CCN(Cc1cn(C)nc1C1CCCCC1)[C@H]1CCS(=O)(=O)C1 195560378 PLBHKDHWZKRDKL-KRWDZBQOSA-N 349.500 2.090 30 50 EEEA C#CCN(CC#N)C(=O)c1ccc(Br)nc1C(F)(F)F 1776005162 ATQHBXGYUKDKSC-UHFFFAOYSA-N 346.106 2.462 30 50 EEEA C[C@H]1CN(C[C@H]2CCCN2C(=O)Cc2ccc(C#N)cc2)C[C@@H](C)O1 249884711 OOZRGKDTKFKZHL-JTDSTZFVSA-N 341.455 2.201 30 50 EEEA O=C(/C=N/O)Nc1ccc(Cc2ccc(NC(=O)/C=N/O)cc2)cc1 71770350 BDXFZMBDQSWHAI-XOBNHNQQSA-N 340.339 2.074 30 50 EEEA C=CCn1cc(C(=O)N2CCCc3c(OC)cc(OC)cc32)nn1 628701826 FOBQHEAYPTZTTE-UHFFFAOYSA-N 328.372 2.074 30 50 EEEA N#Cc1cccnc1N1CCCN(C(=O)[C@H]2C[C@H]2c2ccco2)CC1 230203991 TUGSMLZUALDGEF-CVEARBPZSA-N 336.395 2.389 30 50 EEEA CCN(CCC#N)C(=O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 328655446 YKXLBRQHWOWDMH-INIZCTEOSA-N 329.448 2.188 30 50 EEEA CC1=CC(=O)[C@H](C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])C(=O)O1 128394890 FUVANBKQAZLNOI-IWZWCOEHSA-N 335.699 2.476 30 50 EEEA COCc1nccc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)n1 373813604 WBJYIVVXGGPLAT-OAHLLOKOSA-N 325.416 2.213 30 50 EEEA C[C@H](NC(=O)NCC#CCN(C)C)c1ccc(OC(F)F)cc1 952879282 NVXMEPQYCSNMBD-LBPRGKRZSA-N 325.359 2.213 30 50 EEEA N#Cc1ccc(N2CCC[C@H](N3CCCS3(=O)=O)C2)c(Cl)c1 893569491 PZBDPHLZQHDTMC-ZDUSSCGKSA-N 339.848 2.216 30 50 EEEA Cc1cc(N(C)C)nc(N=C(O)N2CCC[C@@H](OCC3CC3)C2)n1 328586254 DGMTVOSVPDNWPW-CQSZACIVSA-N 333.436 2.288 30 50 EEEA N#Cc1ccnc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)c1 247633376 CHKZYNMSRHOOIN-HIFRSBDPSA-N 339.424 2.037 30 50 EEEA COc1ccc(Br)c(S(=O)(=O)N(C)[C@H](C)CC#N)c1 267086128 TXRGINMTOANTJT-SECBINFHSA-N 347.234 2.380 30 50 EEEA N#CC1(c2nc(CC(=O)Nc3ccccc3Cl)no2)CCNCC1 2325853701 ZMLPHIUUPDJFQT-UHFFFAOYSA-N 345.790 2.049 30 50 EEEA N#C[C@@]1(C(=O)N(CCN2CCOCC2)CC2CC2)CC2CCC1CC2 912683875 PAZFNOQOYQKSSA-NLPFYKDJSA-N 345.487 2.277 30 50 EEEA Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 100182477 CQGBJIWEJYYPTB-HABANTRRSA-N 339.351 2.434 30 50 EEEA N#Cc1ccccc1CN1CC[C@H](CNC(=O)NCc2ccco2)C1 67872984 XQBCCRZWTCHQDS-OAHLLOKOSA-N 338.411 2.473 30 50 EEEA N=C(O)[C@@H]1CCCC[C@H]1/N=C(/O)Nc1ccc(C(F)(F)F)nn1 329957651 QFDSMHVGMUBORP-HTQZYQBOSA-N 331.298 2.915 30 50 EEEA N#C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2F)CCN1C1CC1 373394073 PJKQOXQHHDCMMP-SNVBAGLBSA-N 325.746 2.431 30 50 EEEA C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cc(F)ccc1Br 132254130 WKVJRKKOHQCYKL-QMMMGPOBSA-N 342.168 2.287 30 50 EEEA CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(C#N)ccn2)cc1 426428754 JSCGWSOHCSKBCN-SFHVURJKSA-N 348.406 2.217 30 50 EEEA C#CCOc1ccc(C(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)cc1 408517460 ILDPRVVBGKMMMW-FUHWJXTLSA-N 339.395 2.082 30 50 EEEA COc1ccccc1N1CCN(/N=C2/C(=O)Nc3ccccc32)CC1 46712 ORMAWEFBYHIWIZ-UHFFFAOYSA-N 336.395 2.174 30 50 EEEA C=CCN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CCC1=O 14878809 RZSVMQIXCJVEGV-UHFFFAOYSA-N 326.440 2.029 30 50 EEEA Cc1nn(C)c2[nH]c(=NC[C@@H](c3ccsc3)N(C)C)c(C#N)cc12 2325775321 WMYHZYWIGRDWFB-HNNXBMFYSA-N 340.456 2.347 30 50 EEEA CC(=O)ON1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 47416 RDEPFWDLDPALOY-OWCVQMPJSA-N 333.343 2.357 30 50 EEEA C[C@H](NC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)c1ccc(C#N)cc1 230156976 WYXFDFWRKCRAKM-VBNZEHGJSA-N 326.400 2.072 30 50 EEEA N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1 253395535 WCHAZWVHQVUUON-RDJZCZTQSA-N 346.383 2.194 30 50 EEEA COc1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1C#N 373342888 FALPOIJKJHHLJI-QGZVFWFLSA-N 326.400 2.236 30 50 EEEA C=CCNc1ncnc2c1CCN(C(=O)c1onc3ccccc13)CC2 72462964 VVMTYNLCOULVAC-UHFFFAOYSA-N 349.394 2.457 30 50 EEEA CC1(C)OB(c2cnn(CCCO[C@@H]3CCCCO3)c2)OC1(C)C 382645083 VSJXDLPVFGAPKF-OAHLLOKOSA-N 336.241 2.116 30 50 EEEA Cc1cc([C@H](C#N)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)nc(C)n1 750684616 SBODMQDEMPCMJH-FZMZJTMJSA-N 349.394 2.360 30 50 EEEA C=CCN[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 14753525 FCVBFGIDDWKCGS-GFCCVEGCSA-N 330.457 2.045 30 50 EEEA N#Cc1ccn2ncc(C(=O)N3CCOC[C@@H]3Cc3ccccc3)c2c1 1875293356 NGQKEUXUDWBLGJ-KRWDZBQOSA-N 346.390 2.290 30 50 EEEA Cn1nc(-c2ccccc2)nc1C(=O)N(CCC#N)Cc1ccccn1 253418518 SAULVNDDGARMBM-UHFFFAOYSA-N 346.394 2.433 30 50 EEEA C/C(=C\C(=O)[C@H](C#N)C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 252463471 WDVKFNLOEGZCRE-NKRQLWMJSA-N 330.359 2.233 30 50 EEEA COc1cccc(C[C@H]2CN(c3ccnc(OC)c3C#N)CCO2)c1 71748600 ULLYKXNWZURNRW-INIZCTEOSA-N 339.395 2.418 30 50 EEEA COCCN1C[C@]2(CCCN(Cc3ccccc3C#N)C2)CCC1=O 77376278 PUSMOGSESMDLSA-HXUWFJFHSA-N 341.455 2.409 30 50 EEEA C[C@H]1CN(c2ccc(C(=O)NC3(C#N)CCCC3)cn2)C[C@H](C)O1 124787698 DAYMXDMIQOYTHX-KBPBESRZSA-N 328.416 2.261 30 50 EEEA Cn1ccnc1CN(Cc1ccc(C#N)cc1)[C@H]1CC12CCNCC2 262098229 IFIGIGIXMDWBJL-SFHVURJKSA-N 335.455 2.436 30 50 EEEA C#CCCC1(CCC(=O)NC[C@H]2CN(c3ccccc3)C(=O)O2)N=N1 1875382315 XTGAVDMBSJGAIY-HNNXBMFYSA-N 340.383 2.484 30 50 EEEA C=CCn1c(Oc2cc(C)ccc2C)nc2c1c(=O)n(C)c(=O)n2C 181239 JJVPINNJXFOOJE-UHFFFAOYSA-N 340.383 2.029 30 50 EEEA COC(=O)[C@H]1CC12CCN(C(=O)NCCc1cccc(C#N)c1)CC2 253431789 ULDIGQHAHSHFGE-MRXNPFEDSA-N 341.411 2.085 30 50 EEEA Cn1cc([C@]2(C)CN(CCCC3(C#N)CCOCC3)CCO2)cn1 368534159 KHHJKZNRPAXHFL-KRWDZBQOSA-N 332.448 2.068 30 50 EEEA CCC#CCN1CCC(c2nnc(Cn3ccnc3C)n2CC)CC1 91830064 WAOUPTPVERPYIM-UHFFFAOYSA-N 340.475 2.444 30 50 EEEA COc1ccc([C@H]2CN(c3ncccc3C#N)C[C@@H]2NC(C)=O)cc1 1565506674 SJABVDIPKZLYTH-MSOLQXFVSA-N 336.395 2.070 30 50 EEEA CN(C)[C@H]1CCCN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC1 1506401006 YLKPJHXLQBGACD-SFHVURJKSA-N 328.456 2.365 30 50 EEEA C[C@H](O)CN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 13691022 SJQUBUCZLYKCPN-VIFPVBQESA-N 349.843 2.356 30 50 EEEA CN(C)Cc1cc(O[C@@H]2CCN(Cc3cc(C#N)n(C)c3)C2)ccn1 886081977 OZHLHPVZEBBHGM-LJQANCHMSA-N 339.443 2.007 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc(-n3cncn3)c(F)c2)N=N1 2325891134 SGBUOFSACGZNGL-UHFFFAOYSA-N 326.335 2.102 30 50 EEEA C=CCN1C(=S)N(c2ccc(CC)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 4758700 FVXIXCWTNABXHN-LSDHHAIUSA-N 336.482 2.008 30 50 EEEA N#C[C@H](C(=O)NC1CC1)C(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1 155708395 OLNHEXGKRJMJEN-JTQLQIEISA-N 346.749 2.470 30 50 EEEA N#C[C@@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@@H]1c1ccccc1 226075400 SJQSKMOFIMXZTC-LSDHHAIUSA-N 329.363 2.488 30 50 EEEA O/C(=N/Cc1ccn(C2CCCC2)n1)c1cn([C@@H]2CCOC2)nn1 330076992 HEVVANYLIHNRKE-CQSZACIVSA-N 330.392 2.056 30 50 EEEA C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1/C(O)=N/C[C@@H]1CCCOC1 328591356 POLKGXUAVRFZMU-RDBSUJKOSA-N 342.436 2.394 30 50 EEEA Cc1c(CCC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cnn1C 374366126 NAQGQIMIAQLXSN-SFHVURJKSA-N 338.411 2.133 30 50 EEEA COc1ccc([C@@H]2CN(c3ncccc3C#N)C[C@H]2NC(C)=O)cc1 95498597 SJABVDIPKZLYTH-ZWKOTPCHSA-N 336.395 2.070 30 50 EEEA CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 366524147 VLGYHDYAZMMNKA-IBGZPJMESA-N 328.412 2.287 30 50 EEEA C[C@H](CCc1ccccc1)NS(=O)(=O)CCO[C@@H](C#N)C1CC1 1775989576 QAMFKHCJBWFAJT-PBHICJAKSA-N 336.457 2.246 30 50 EEEA N#Cc1ccnc(N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)c1Cl 1775958250 MWXGJZZPCSORFP-QWHCGFSZSA-N 335.791 2.455 30 50 EEEA C#CCCC1(CCC(=O)Nc2ccc(F)c(-n3nnnc3C)c2)N=N1 2325892163 CJXYPHSLEXMCFC-UHFFFAOYSA-N 341.350 2.404 30 50 EEEA C[C@H](C#N)CNC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 246044444 BDEZPEAVKXUZGM-ZIAGYGMSSA-N 349.456 2.139 30 50 EEEA N#Cc1ccc(C(=O)N2CCN(Cc3ccccc3CO)CC2)cc1 55088372 NLJOTGITSMNHJE-UHFFFAOYSA-N 335.407 2.009 30 50 EEEA COC(=O)[C@H]1CN(CCCCCC/N=C(/O)OC(C)(C)C)CCO1 328596028 OIWMWFZNEHEFLE-CQSZACIVSA-N 344.452 2.150 30 50 EEEA Cc1nc(C)c(/C(O)=N/[C@@H]2CCCN(c3nccnc3O)C2)s1 328625523 DFMCYVOQYAEOEO-LLVKDONJSA-N 333.417 2.229 30 50 EEEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)N=c2cc[nH]c(C)c2)cn1 328623477 JFBFRNWVWOZQQK-JKSUJKDBSA-N 329.404 2.275 30 50 EEEA C#CCNC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 362467306 UKFLBLHZYDEMMV-GFCCVEGCSA-N 341.333 2.344 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC34CCOCC4)CC2)c(F)c1 377979819 VARNXMUXIYHUCQ-HNNXBMFYSA-N 343.402 2.163 30 50 EEEA C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2[nH]ccc2c1 160975620 SUGYRUDPVMCESG-ZDUSSCGKSA-N 346.394 2.180 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc(C3(OC)COC3)cc2)N=N1 1875381403 TYRYJKDXUMTZEA-UHFFFAOYSA-N 327.384 2.254 30 50 EEEA C=CCN1C(=S)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 4192114 JKCQZOMLVXRUMF-STQMWFEESA-N 342.873 2.099 30 50 EEEA CC[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C)CC3)c2C#N)C1 20661373 OVWIQUBUVDERMW-CYBMUJFWSA-N 346.500 2.321 30 50 EEEA CNC(=O)[C@@H]1CCC[C@@H]1N/C(O)=N/[C@H](C)c1cc(F)ccc1OC 330573903 NRDAMXOBSDQYMH-QKCSRTOESA-N 337.395 2.314 30 50 EEEA N#Cc1ncn(-c2ccccc2NC(=O)Cn2cc3ccccc3n2)n1 426826646 UBKBYDXURYIRAI-UHFFFAOYSA-N 343.350 2.127 30 50 EEEA Cc1ccc(S(=O)(=O)c2c(C#N)c(C(F)(F)F)nn2C)cc1 1391302 FIUHELJQRUNGJK-UHFFFAOYSA-N 329.303 2.452 30 50 EEEA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)c2ncccc2C#N)on1 328642199 QYVKJCLVVNCBIU-GJZGRUSLSA-N 329.379 2.299 30 50 EEEA OC(=Nc1nccs1)[C@H]1CCCN1Cc1nnc2n1CCCC2 329703718 IZHBKJQGFLXNAW-LLVKDONJSA-N 332.433 2.324 30 50 EEEA C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1[C@H]1CCCN1C 257365862 WSLONRRXAMDWOY-QGTPRVQTSA-N 327.428 2.411 30 50 EEEA Cc1cc(C(=O)N2CCCN(Cc3c[nH]c(C#N)c3)CC2)cc(C)n1 1775981798 IOSPFHXNZFANQI-UHFFFAOYSA-N 337.427 2.246 30 50 EEEA C=C(C)CN(CC)C(=O)CCCn1nnnc1CN1CCC(C)CC1 11934267 ABTSXQVZFVUAKI-UHFFFAOYSA-N 348.495 2.110 30 50 EEEA CN(C)c1nccc2c1N(C(=O)[C@]1(C#N)CC13CCOCC3)CCC2 2325767761 UICVBIJLUGGNNU-LJQANCHMSA-N 340.427 2.137 30 50 EEEA C=CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 2851516 RISCQYKYVBKSDR-LBPRGKRZSA-N 342.848 2.043 30 50 EEEA C=CCOc1cc(Br)c(CNCCO)cc1OCC 4840168 CLJRQGFPEVASSP-UHFFFAOYSA-N 330.222 2.495 30 50 EEEA Cc1cc(C)n(CCn2ccnc2-c2ccc(C#CCO)s2)n1 67673960 PRJDAPAVSRGBPZ-UHFFFAOYSA-N 326.425 2.469 30 50 EEEA C[C@@](C#N)(NC(=O)CN1CCC[C@H]1COc1ccccc1)C1CC1 252477177 JQZHPILZXPSPNG-LPHOPBHVSA-N 327.428 2.338 30 50 EEEA COCc1cc(C)n(CC(=O)Nc2cccc(C)c2)c(=O)c1C#N 4593478 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C#CCCC1(CCNC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)N=N1 2325891610 QLGJYVDOMFJDKW-GJZGRUSLSA-N 325.368 2.373 30 50 EEEA CCOc1ccc(S(=O)(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 32577578 KPGSVZMJUQKYPR-WJDWOHSUSA-N 349.368 2.306 30 50 EEEA C=C[C@@H]1OCC[C@H]1/N=C(/O)c1cncc(I)c1 331351680 YYWPGPFTXGHQMG-MNOVXSKESA-N 344.152 2.334 30 50 EEEA C=CC[C@@]1(CO)CCCN(C(=O)c2ccccc2N2CCOCC2)C1 91548592 KUHBDIIICKNTMU-HXUWFJFHSA-N 344.455 2.314 30 50 EEEA C#C[C@@H](NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)[C@@H]1CCOC1 170609738 UKIANJJRTJKMSY-CZUORRHYSA-N 342.374 2.480 30 50 EEEA C=CCC(=O)N1CCC[C@H](CNC(=O)COc2ccccc2OC)C1 12023352 SSNZZJUFXQXHON-OAHLLOKOSA-N 346.427 2.005 30 50 EEEA O=C(OCc1ccccc1Br)ON1C(=O)CCC1=O 156070 SZDNRTVADOCWKU-UHFFFAOYSA-N 328.118 2.166 30 50 EEEA in-vitro Cc1ccc(N=C(O)N[C@H](c2nc(C)no2)C2CCOCC2)nc1 328615244 ASECWIZKLPSQHZ-AWEZNQCLSA-N 331.376 2.384 30 50 EEEA C#CCCC1(CCC(=O)NCCOc2ccc(C(=O)OC)cc2)N=N1 2325892575 SDWLGIMVGWEPGP-UHFFFAOYSA-N 343.383 2.324 30 50 EEEA CCCN(CC#Cc1ccccc1)C(=O)C(=O)Nc1cc(C)on1 65387697 QYFOHZRKXDBLGO-UHFFFAOYSA-N 325.368 2.212 30 50 EEEA CCCCN(CC#Cc1ccccc1)C(=O)C[C@@H]1CN(C)CCN1C 65397703 QTWZLGMPEHNETF-HXUWFJFHSA-N 341.499 2.303 30 50 EEEA Cc1nc(C)n(C[C@H]2CCCN2C(=O)/C=C/c2cccc(C#N)c2)n1 370991662 LHCUTSRYHKTPJO-GFOMBABLSA-N 335.411 2.471 30 50 EEEA C=CCOc1ccc(/C=C2\C(=O)NC(C)=C2C(=O)OC)cc1OC 2306503 VJMIPTYQOZEWEC-LCYFTJDESA-N 329.352 2.220 30 50 EEEA N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCc3c[nH]nc32)CC1 2325766254 JXKHLKFAPMEIDV-MRXNPFEDSA-N 335.411 2.050 30 50 EEEA C#CCCC1(CCC(=O)N2CCC(O)(Cc3ccncc3)CC2)N=N1 2325892494 OYLUYWCWGSEVJN-UHFFFAOYSA-N 340.427 2.333 30 50 EEEA N#Cc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1 453520 NSUICPQYJBMPNF-UHFFFAOYSA-N 336.380 2.265 30 50 EEEA C#CCOc1ccc(Br)cc1[C@@H]1N[C@@H](C(=O)O)CS1 2972009 ZBZHPYBZAQDIQJ-ZYHUDNBSSA-N 342.214 2.249 30 50 EEEA N#Cc1ncn(CC(=O)N2CCCC[C@H]2c2nc3ccccc3o2)n1 330226312 ORLZBGWOJNRBAW-ZDUSSCGKSA-N 336.355 2.045 30 50 EEEA Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN([C@H](C)CC#N)C2)cc1 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CCN(CC)[C@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 182816692 HGYJTTYCNWRSPY-RBUKOAKNSA-N 340.471 2.470 30 50 EEEA O=C(O)C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2Cl)NC1=O 4303525 XTVGVJFQQSHQFP-XDDINVHESA-N 346.195 2.390 30 50 EEEA C=CCN[C@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 14748013 GZVVBNIUTBUFRY-INIZCTEOSA-N 338.455 2.026 30 50 EEEA CN(C)C(=O)c1ccc(Cl)c(NCC(=O)N[C@@](C)(C#N)C2CC2)c1 111185932 SNCUGDXTWYRUMF-KRWDZBQOSA-N 348.834 2.262 30 50 EEEA COc1cc([C@@H]2CC(=O)C=C(O)[C@@H]2n2cncn2)cc(OC)c1OC 1390422 JPWCYIYURVIJFX-BLLLJJGKSA-N 345.355 2.044 30 50 EEEA COC/C(O)=N/C(C)(C)CC(=O)N1CCN(c2ccccc2)CC1 328589830 JDAFFMXGZNSGHU-UHFFFAOYSA-N 333.432 2.107 30 50 EEEA O/C(C[C@@H]1C[C@H]2CC[C@H]1C2)=N/CCN1CCN(c2ncccn2)CC1 328809126 AFDUCSCCQSLWFJ-ULQDDVLXSA-N 343.475 2.381 30 50 EEEA CN(CC(O)=Nc1ccc2scnc2c1)[C@@H]1CCS(=O)(=O)C1 328697503 UQDYKXYGYLPOQF-LLVKDONJSA-N 339.442 2.003 30 50 EEEA O=S1(=O)CC[C@H](/C(O)=N/[C@@H]2CCCN(Cc3ccccc3)C2)C1 328847401 SMQQDCAKTTXOAK-JKSUJKDBSA-N 336.457 2.042 30 50 EEEA CCOC(=O)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Cl)cc1 549129 OQYSZKPLQMMAHR-CQSZACIVSA-N 337.759 2.188 30 50 EEEA C[C@H]1CN([C@@H](C/N=C(\N)Nc2ccccn2)c2cccs2)CCO1 178423549 JVAAXWPDKFUHFP-KBPBESRZSA-N 345.472 2.332 30 50 EEEA C#CCOc1ccccc1NC(=O)N[C@H]1CCN(c2ccccn2)C1 188088615 KWTKVRLCABYWJA-HNNXBMFYSA-N 336.395 2.494 30 50 EEEA N#Cc1nccnc1N1CCC[C@@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857713705 DOCGTHMVQLPVSZ-LJQANCHMSA-N 348.410 2.206 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 253397119 SWMGXOJRVRUQDE-CVEARBPZSA-N 346.383 2.194 30 50 EEEA C[C@H]1C[C@@H](CNc2ccc(S(=O)(=O)N(C)CC#N)cc2)CCO1 952850289 WRJJWVHLNFHQPN-KBPBESRZSA-N 337.445 2.058 30 50 EEEA C[C@H]1CN([C@H](CNc2nccnc2C#N)c2cccs2)CCO1 252506858 WTZNWNWUWYIYRC-GXTWGEPZSA-N 329.429 2.284 30 50 EEEA N#Cc1ccc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cc1Cl 284743027 NHTBPUODSVSEJJ-GOEBONIOSA-N 333.819 2.318 30 50 EEEA C=CCc1cc(CN2CCO[C@H](C(=O)O)C2)cc(OCC)c1OC 534674505 YRCIDVVIDWUTMM-INIZCTEOSA-N 335.400 2.108 30 50 EEEA CCC#CCN1CCC[C@H](CNC(=O)COc2cccc(F)c2)C1 822523052 NUCWCVUNCVAMJC-MRXNPFEDSA-N 332.419 2.446 30 50 EEEA CC(C)(C)OC(=O)N[C@@H]1[C@H](CN2CCO[C@H](C#N)C2)[C@H]2CC[C@@H]1C2 952993475 HTMQDDLPPQVYRA-GCSSGZNBSA-N 335.448 2.150 30 50 EEEA C=CC(=O)N(C)CC(=O)N[C@@H](C#N)c1ccccc1C(F)(F)F 1875297854 GIIMUWMEKYTFMT-LBPRGKRZSA-N 325.290 2.031 30 50 EEEA N#Cc1cccnc1SCC(=O)N1CCN(c2ccccc2)CC1 7051890 HXQVSIVSPUOUFH-UHFFFAOYSA-N 338.436 2.394 30 50 EEEA Cc1sc2nc([C@@H](C#N)C(=O)NCc3ccco3)[nH]c(=O)c2c1C 122064646 LPGNXXLNTKOIGI-LLVKDONJSA-N 342.380 2.118 30 50 EEEA N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1[C@H]1COCC[C@H]1O 253395423 DOLJQMUTIKXPPW-JHJVBQTASA-N 341.333 2.338 30 50 EEEA N#Cc1c[nH]c(C(=O)N2CC[C@](O)(Cc3cccc(Cl)c3)C2)c1 363151242 DHPXCUZQBAZKGG-KRWDZBQOSA-N 329.787 2.359 30 50 EEEA N#Cc1ccnc(-c2ccc(C(=O)N3C[C@@H]4CC[C@H](C3)[C@@H]4O)cc2)c1 426371111 PDBCPSOJSNTJIE-DZFIZOCASA-N 333.391 2.463 30 50 EEEA CC(C)NS(=O)(=O)NC1CCC(Oc2ccccc2C#N)CC1 330736479 XBIMGJUXYTWNOS-UHFFFAOYSA-N 337.445 2.081 30 50 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C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4005740 JLQPQZNXOIIXPL-CHWSQXEVSA-N 329.356 2.418 30 50 EEEA C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)N1CCOCC1 6698120 RLWPIVWQTPMCAB-UHFFFAOYSA-N 328.372 2.177 30 50 EEEA CCNS(=O)(=O)c1ccc(CNc2nccc(C)c2C#N)cc1 253427333 YHUAXNHOAYZTNP-UHFFFAOYSA-N 330.413 2.172 30 50 EEEA CCN1CCN(C(O)=Nc2cnccc2C)C[C@@H]1c1nccn1C 328636987 VVOAKMOWINBLMZ-OAHLLOKOSA-N 328.420 2.048 30 50 EEEA C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H](c2ccsc2)O1 241644558 PRSXOTKGHMZOOP-FZMZJTMJSA-N 349.437 2.165 30 50 EEEA Cc1nn(C)cc1[C@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 366098678 WKDATVUSXHFDKL-GOSISDBHSA-N 337.427 2.054 30 50 EEEA N#Cc1cccc(NC(=O)N2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 95501657 PASQDZKELQYQGE-IRXDYDNUSA-N 328.416 2.011 30 50 EEEA C=CCC(O)(CC=C)[C@@H](C)NC(=O)c1ccc(-n2cnnc2)cc1 670459828 MKMBHYTUYBMLNG-CQSZACIVSA-N 326.400 2.269 30 50 EEEA CCCCCCCC(=O)NCC1CCN(CC(=O)N(C)C)CC1 408518094 UCIAGQDIUFDFBB-UHFFFAOYSA-N 325.497 2.263 30 50 EEEA 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CC(C)[C@H](/C(O)=N/C[C@@H]1CCCCS1(=O)=O)N1CCCCC1 329557498 LFWNQHTWGMKDIR-LSDHHAIUSA-N 330.494 2.421 30 50 EEEA Cc1cc(NC(=O)c2cc3n(n2)CCCO3)c(C#N)cc1N(C)C 332223431 YKAYZTNMRVFBMO-UHFFFAOYSA-N 325.372 2.164 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2CC[C@@H]3NC(=O)C(C)(C)[C@@H]3C2)N=N1 1875380997 GVRXRFOPQIHXKQ-MCIONIFRSA-N 330.432 2.009 30 50 EEEA O=C(O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1/C2=N/O 20065841 XZJGHMGXVLOYSQ-SQFISAMPSA-N 329.224 2.408 30 50 EEEA C[C@@H]1CCc2c(sc(NC(=O)CN3CCOC[C@H]3C)c2C#N)C1 248328608 BVUVBEGZQGRPAK-VXGBXAGGSA-N 333.457 2.404 30 50 EEEA CC(C)CC(=O)N1CCC(/N=C(/O)[C@H](c2cncn2C)N(C)C)CC1 329177646 CGHKWBVINRRNIP-KRWDZBQOSA-N 349.479 2.016 30 50 EEEA Cc1cc(N2CCN(c3ccc(C#N)cn3)CC2)n2nc(C)c(C)c2n1 72476615 OLBGIVUBRCZSSV-UHFFFAOYSA-N 347.426 2.248 30 50 EEEA O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)[C@@H]1CO1 1875373082 TVWFWWUXSOBUIO-AWEZNQCLSA-N 329.306 2.295 30 50 EEEA CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(C#N)c(C)c2)cn1 444003569 SZIAHWLWVVWXKI-MJGOQNOKSA-N 337.427 2.193 30 50 EEEA C=CC[C@]1(CO)CCCN(S(=O)(=O)Cc2ccccc2F)C1 91896190 GOJYAGZWTFRHBE-INIZCTEOSA-N 327.421 2.306 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C 253421237 SJMFPCANFRRJKB-OQIJWPOYSA-N 343.471 2.389 30 50 EEEA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)c2ccc(C#N)cn2)CC1 328648906 UUHLMVSLUZZUEB-SFHVURJKSA-N 349.438 2.475 30 50 EEEA Cc1nnc(N2C[C@@H](F)C[C@H]2C/N=C(/O)[C@H](C)OCC2CC2)o1 328655371 YGNPHYQKPPLBMM-XDTLVQLUSA-N 326.372 2.066 30 50 EEEA N#Cc1cc2c(nc1N[C@H]1CCN(C(=O)c3ccncc3)C1)CCC2 370540747 WPOMGJGOMIBNHZ-INIZCTEOSA-N 333.395 2.164 30 50 EEEA N#Cc1ccc(C2(C(=O)N3CCC[C@@H](Cn4ccnn4)C3)CC2)cc1 188870933 CFRBDHKFMVXRQU-MRXNPFEDSA-N 335.411 2.120 30 50 EEEA O=C(/C=C\c1ccc(I)o1)c1ccc[n+]([O-])c1 4566684 ILKDRLHDALJLNT-HYXAFXHYSA-N 341.104 2.414 30 50 EEEA C[C@H](C/N=C(/O)N1CC[C@@H](S(C)(=O)=O)C1)c1ccc(F)cc1F 330412637 MBXPPCCMZDLSFR-ZYHUDNBSSA-N 346.399 2.101 30 50 EEEA Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H](C#N)C3)CC2)c1 95383791 ZSSLGSJBYNPOPN-GOSISDBHSA-N 340.471 2.269 30 50 EEEA C=CCNC(=O)CNC(=O)Nc1cc(Br)c(F)cc1F 189171947 CNFNOQFJSSLVLI-UHFFFAOYSA-N 348.147 2.151 30 50 EEEA Cc1ccccc1[C@H](C)/N=C(/O)N1CCO[C@@H](c2nncn2C)C1 328639275 WVSWTXJHJUHZEK-DZGCQCFKSA-N 329.404 2.172 30 50 EEEA Cn1cc([C@@H](/N=C(/O)c2cn(CC3(C)COC3)nn2)C(C)(C)C)cn1 329779883 MHCAEPPMKKZXMW-CQSZACIVSA-N 346.435 2.140 30 50 EEEA CN1CCN(CCCNc2nccnc2C#N)[C@@H](c2ccccc2)C1 241124195 JGFZHIVLKWYHLA-GOSISDBHSA-N 336.443 2.139 30 50 EEEA CC/N=C(/O)N1CCC(N[C@H]2CCCO[C@@H]2c2cnn(CC)c2)CC1 328629012 HTQSMNXCHDABDB-DLBZAZTESA-N 349.479 2.111 30 50 EEEA CCOc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c([N+](=O)[O-])c1 390834339 WOTCAMWOQXLVLA-UHFFFAOYSA-N 348.340 2.061 30 50 EEEA C#CCCC1(CCC(=O)N[C@@](C)(CC(=O)O)c2ccncc2)N=N1 952876164 DAFZFNBABAFVAQ-INIZCTEOSA-N 328.372 2.243 30 50 EEEA C=CCC(O)(CC=C)[C@@H](C)NC(=O)CCNC(=O)c1ccccc1F 55042127 WHRGZUNKFJBBDH-CQSZACIVSA-N 348.418 2.334 30 50 EEEA CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 328655447 YKXLBRQHWOWDMH-MRXNPFEDSA-N 329.448 2.188 30 50 EEEA CCc1onc(C)c1/C(O)=N/[C@H]1CCCN(c2nccnc2O)C1 328650158 VIGVGYARYNHBMH-NSHDSACASA-N 331.376 2.015 30 50 EEEA CCc1ccsc1/C(O)=N/C1CCN([C@H]2CCN(C)C2=O)CC1 329177895 MYGMVOFHESMSKQ-AWEZNQCLSA-N 335.473 2.310 30 50 EEEA COc1ccc([C@H](Nc2ccnc(OC)c2C#N)[C@H]2C[C@H](O)C2)cn1 222600009 NYCWUHALWNVEGV-AHIWAGSCSA-N 340.383 2.290 30 50 EEEA N#CC1(NC(=O)c2cc(Br)cnc2Br)CC1 932889879 FGNIFTHPALJUPO-UHFFFAOYSA-N 344.994 2.393 30 50 EEEA CC1(C)OB(C2CCN(S(=O)(=O)CCCC#N)CC2)OC1(C)C 952882719 IXIMIZUOUKNFQA-UHFFFAOYSA-N 342.270 2.178 30 50 EEEA C=C(C)Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 266808 HVVPWSFGBFCAFT-UHFFFAOYSA-N 342.424 2.292 30 50 EEEA C[C@@H](C(=O)c1ccc(Br)cc1)[n+]1cccc(C(N)=O)c1 3131055 DKNFWYVTQRLPPO-JTQLQIEISA-O 334.193 2.279 30 50 EEEA COc1ccc(C(=O)Oc2cccc(/C=N/NC(N)=S)c2)cc1 8684142 LKSANSVOYIELCV-VCHYOVAHSA-N 329.381 2.082 30 50 EEEA C[C@H]1CN([C@H](C/N=C(\N)Nc2ccccn2)c2cccs2)CCO1 246801253 JVAAXWPDKFUHFP-UONOGXRCSA-N 345.472 2.332 30 50 EEEA C=CC[C@@]1(CO)CCCN(CC(=O)NCCc2ccc(F)cc2)C1 91952033 RKCRSDCFVVQGNL-LJQANCHMSA-N 334.435 2.135 30 50 EEEA N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[C@@H](C(N)=O)C1 169961326 NYBXOOGWBDRUNP-SNVBAGLBSA-N 346.337 2.410 30 50 EEEA COc1cc(/C=N/n2c(C)nnc2C)cc(Br)c1O 231305 KHJQRLRAJWZNEE-MKMNVTDBSA-N 325.166 2.254 30 50 EEEA C=CCN[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2CC)C1 14733017 NBJURGKWPPLQSG-CQSZACIVSA-N 342.443 2.401 30 50 EEEA COC(=O)[C@H]1C(=O)/C(=C\Nc2ccccc2OC)C(=O)CC1(C)C 103694434 KIWNOSNYBRBEMS-JQPIKURYSA-N 331.368 2.348 30 50 EEEA Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cccc(C#N)c1 338218399 WQUSTKIZSONMHV-IRXDYDNUSA-N 342.374 2.197 30 50 EEEA Cc1ccc(S(=O)(=O)NCc2cc(C#N)ccc2F)cc1C(=O)O 185082217 FZMAGSJJYBOGHW-UHFFFAOYSA-N 348.355 2.183 30 50 EEEA N#Cc1c[nH]c2ccccc2c1=NCc1nnc([C@@H]2CCCOC2)o1 886079396 VXJZRMLRWHPJON-GFCCVEGCSA-N 335.367 2.417 30 50 EEEA Cc1ccc(S(=O)(=O)/N=C(\N)Nc2nc3ccccc3o2)cc1 4826470 PESGKBLFAZZMLS-UHFFFAOYSA-N 330.369 2.252 30 50 EEEA C=CCn1cc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)c(C)n1 55386039 JOYBTGQTFUBTRG-QGZVFWFLSA-N 328.391 2.190 30 50 EEEA Cn1nccc1[C@H]1[C@H](CNc2cnc(C#N)cn2)CCCN1C1CC1 285074343 XTJSHTFGAUQPED-SCLBCKFNSA-N 337.431 2.109 30 50 EEEA N#Cc1cccnc1N1C[C@@H]2CC[C@H](C1)N(Cc1cscn1)C2=O 95524742 MFVUGKUPKLBRIW-DZGCQCFKSA-N 339.424 2.037 30 50 EEEA CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccc(C#N)cc4)[C@@H]2CC(=O)N13 1857735748 ITLIYGACGNGMDZ-SCTDSRPQSA-N 325.412 2.116 30 50 EEEA C=CCOc1c(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cccc1OC 9235225 ZQAJREPFEMZQPA-BQYQJAHWSA-N 345.311 2.128 30 50 EEEA COC1(C/N=C(/O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCC1 328644322 ZCKIYWFIPADMLR-IRXDYDNUSA-N 346.475 2.489 30 50 EEEA COCCN1C[C@@]2(CCCN(Cc3ccccc3C#N)C2)CCC1=O 77376275 PUSMOGSESMDLSA-FQEVSTJZSA-N 341.455 2.409 30 50 EEEA CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 245309445 CYIRFOHUIPKUIU-JMSPULETSA-N 335.407 2.140 30 50 EEEA CNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 459778 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2.164 30 50 EEEA N#Cc1ncc(N2CCc3cc(N4CCCC4=O)ccc32)nc1C#N 1875392784 UNJNPUWEBFFMCT-UHFFFAOYSA-N 330.351 2.041 30 50 EEEA CCc1ccc(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)cc1 2841343 WMUDFPAGXJKHJO-UHFFFAOYSA-N 331.349 2.166 30 50 EEEA CCCn1cc(N/C(O)=N/[C@@H]2CCO[C@@H](c3cncn3C)C2)cn1 328614810 AMEOURRLAKRIFV-IUODEOHRSA-N 332.408 2.273 30 50 EEEA CN1C[C@H](C(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2C1=O 373202769 JEKQEBOGHCXEBX-SFHVURJKSA-N 333.391 2.386 30 50 EEEA COCCc1noc([C@@H](C)NC(=O)Nc2ccc(OC)c(C#N)c2)n1 96130393 PNLLRTHUECZKLQ-SNVBAGLBSA-N 345.359 2.021 30 50 EEEA CN(C)c1nccc([C@H]2CN(/C(O)=N/Cc3ccsc3)CCO2)n1 328615676 AZQYYMHQGAVHAZ-CQSZACIVSA-N 347.444 2.092 30 50 EEEA O/C(=N/[C@H](c1ccccc1)[C@@H]1CCOC1)c1cn([C@@H]2CCOC2)nn1 330167075 VOHMAKDGGATGCS-BFYDXBDKSA-N 342.399 2.322 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4725378 CRDUOAIBASQECN-UHFFFAOYSA-N 345.311 2.089 30 50 EEEA CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 286523382 ZUGBESOWRAVGKK-BDAKNGLRSA-N 348.881 2.188 30 50 EEEA N#Cc1ccc([C@@H](O)CN2CCN(c3cc(C4CC4)n[nH]3)CC2)cc1 189676713 YABJTOPPPBLLBE-SFHVURJKSA-N 337.427 2.014 30 50 EEEA COC[C@H]1CCCCN(C(=O)COc2ccc(C#N)cc2OC)C1 375134274 GXUVIKIKSKZJAI-HNNXBMFYSA-N 332.400 2.221 30 50 EEEA C#CCCC1(CCC(=O)N2CCc3cc(C(=O)O)cnc3C2)N=N1 2325901254 ZREMNCBLBAGNRH-UHFFFAOYSA-N 326.356 2.020 30 50 EEEA C=CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 6747078 LLQSSDARVCNGPN-UHFFFAOYSA-N 336.457 2.476 30 50 EEEA C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 225426173 NPPGQFRUEAHBHX-MRBYEJRBSA-N 333.461 2.352 30 50 EEEA O=C1C[C@@H](c2ccc(C#CCCO)cc2)c2c(nc3ccccn23)CN1 65468730 KMGXTKYJNQRAKJ-KRWDZBQOSA-N 345.402 2.220 30 50 EEEA COC(=O)c1ccc(-c2nc(Cn3cnc(C#N)c3C#N)co2)cc1 126539576 HGUQLACNPLQGLX-UHFFFAOYSA-N 333.307 2.116 30 50 EEEA Cn1cnnc1[C@H]1CN(C/C(O)=N/CCC2=CCCCC2)CCO1 328644522 RSKKEXQOVJJIEJ-OAHLLOKOSA-N 333.436 2.035 30 50 EEEA CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)o1 373817879 GAYRTIGUCDMYAG-KRWDZBQOSA-N 326.400 2.463 30 50 EEEA C=CC[C@@]1(CO)CCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 91586421 GKESNTPISUAWEM-LJQANCHMSA-N 331.460 2.398 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)OC1CCCC1 170627072 AZJUEIXMRFNNSM-LBPRGKRZSA-N 336.413 2.019 30 50 EEEA NS(=O)(=O)c1ccc(N/C(S)=N\Cc2ccc(F)cc2)cc1 13496795 DMKZQKSVQPLNSF-UHFFFAOYSA-N 339.417 2.371 30 50 EEEA Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)n1 122140129 KZEPLGSHOISFNY-CYBMUJFWSA-N 339.399 2.077 30 50 EEEA N#Cc1cc2c(nc1NCc1cc(O[C@H]3CCNC3)ccn1)CCC2 818628781 PCMPCTPZMQLEGV-KRWDZBQOSA-N 335.411 2.190 30 50 EEEA C#CCCC1(CCC(=O)NCCn2c(=O)oc3ccccc32)N=N1 2325892414 MMSIXGQLJLWZAO-UHFFFAOYSA-N 326.356 2.066 30 50 EEEA CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2ccc(C#N)cc2)CC1 4241829 FCBPLIYQUXNOBX-OAHLLOKOSA-N 345.399 2.237 30 50 EEEA C=CCN(Cc1ccccc1Cl)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 55414009 BIGBFHSJQCJHFR-AWEZNQCLSA-N 349.818 2.137 30 50 EEEA C[C@H]1CN(/C(O)=N/CC2C[C@@H](C)O[C@H](C)C2)C[C@@]2(CCO[C@@H]2C)O1 329813821 TXDYNLIBJBFTJX-VPKNTQAGSA-N 340.464 2.372 30 50 EEEA CCC(=O)N1CCCC[C@@H]1/C(O)=N/[C@H]1CN(c2ccccc2)C1=O 329273673 ATHOUVXCTVNUMC-LSDHHAIUSA-N 329.400 2.149 30 50 EEEA CCn1ccnc1[C@H](Nc1nc(C)cc(C#N)n1)C1CCOCC1 284654622 VRHQCDJWUNGQDL-OAHLLOKOSA-N 326.404 2.453 30 50 EEEA C=CCn1c(SCc2nc(CC)no2)nnc1C1CCNCC1 426550109 XLWAYJLSWADKQE-UHFFFAOYSA-N 334.449 2.169 30 50 EEEA C=CCOc1ccccc1CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 14888542 UCZBZRQHLPYPKZ-LJQANCHMSA-N 343.427 2.062 30 50 EEEA COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3ncnn32)c1 67014 OZVIGXKOKGWXNH-INIZCTEOSA-N 326.356 2.317 30 50 EEEA C=CCNC(=O)NCc1nc(-c2cccc(Br)c2)no1 408515128 BLLVOKMWWHFRGO-UHFFFAOYSA-N 337.177 2.484 30 50 EEEA CN(C)c1nccc([C@@H]2CN(/C(O)=N/Cc3ccsc3)CCO2)n1 328615674 AZQYYMHQGAVHAZ-AWEZNQCLSA-N 347.444 2.092 30 50 EEEA N#Cc1cnn(-c2ccccc2)c1N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875399071 NSNTWIAVBIFXPB-ZTFGCOKTSA-N 348.410 2.192 30 50 EEEA COC(=O)c1cnc(N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)nc1 1776007755 VYRUJWJJXDOPOU-UHFFFAOYSA-N 347.224 2.326 30 50 EEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1 104315197 KCZFLFYOLLDLKV-PQCRHDSQSA-N 343.364 2.043 30 50 EEEA COc1ccc(C)cc1NC(=O)[C@H]1CCCN1c1cnc(C#N)cn1 125017276 OBJCJAVYPRCEED-OAHLLOKOSA-N 337.383 2.273 30 50 EEEA N#Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 91770067 DNRWPUOEMNXHEB-MAUKXSAKSA-N 337.423 2.421 30 50 EEEA N#Cc1cnc(N[C@H]2CCN(C(=O)c3ccncc3)C2)c(Cl)c1 370537868 CWVKUVWDAZXKEY-ZDUSSCGKSA-N 327.775 2.328 30 50 EEEA Cc1cc(N2C[C@@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)nc(C)c1C#N 2356154307 QAGKEPYEQVPATH-VURPSTOHSA-N 349.434 2.143 30 50 EEEA C#CCSc1nncn1C(=O)/C=C/c1ccc(OC)c(OC)c1 4888753 IIWDRAPIQCUMMQ-SOFGYWHQSA-N 329.381 2.374 30 50 EEEA Cc1cc(N(C)C)nc(N=C(O)N2CCC[C@H](OCC3CC3)C2)n1 328586253 DGMTVOSVPDNWPW-AWEZNQCLSA-N 333.436 2.288 30 50 EEEA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(C(C)(C)C#N)cc2)N(C)C1 284616490 KTGQPISNMHAAOV-IRXDYDNUSA-N 329.444 2.279 30 50 EEEA C=CCn1c(SCc2cn(C)nc2C)nnc1C1CCNCC1 426387678 MSFQWIXBIANRTO-UHFFFAOYSA-N 332.477 2.265 30 50 EEEA C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2cccc(OC)c2)C1 92098861 UUZGEFSPFQYNDH-MRXNPFEDSA-N 325.430 2.035 30 50 EEEA N#Cc1cccc(CN2CCn3nc(CNc4cnccn4)cc3C2)c1 299785406 ZMDAFIKUAXULCP-UHFFFAOYSA-N 345.410 2.173 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CC[C@H]1CC[C@@H](C)O1 170645799 DOAYDCQSSYNBMT-TZMCWYRMSA-N 336.413 2.019 30 50 EEEA C#CCCC1(CCNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)N=N1 2325891014 LVUDEFHWEPSLJD-XHSDSOJGSA-N 334.464 2.202 30 50 EEEA CC(C)(C)OC(=O)NCCCSc1nc(N)c(C#N)cc1C#N 253426092 NHMJPJBFFUTKJS-UHFFFAOYSA-N 333.417 2.414 30 50 EEEA CCc1cc(N2CCC[C@H](/N=C(/O)N3CCC(F)(F)C3)C2)ncn1 329506813 WWQMBRFIFFVNBH-ZDUSSCGKSA-N 339.390 2.263 30 50 EEEA COC(=O)c1cc(C#N)c(N(C)Cc2noc(C(C)C)n2)nc1C 77355563 DKDNPUGXCILQQR-UHFFFAOYSA-N 329.360 2.191 30 50 EEEA Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc(F)c3C#N)C2)nn1 372930580 UKSSQUVQLSBOBM-CYBMUJFWSA-N 339.374 2.195 30 50 EEEA Cc1c(Cl)cnc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1C#N 284671525 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332.400 2.221 30 50 EEEA CCn1cc(CN(CCO)c2ccc(C(F)(F)F)c(C#N)n2)cn1 252493629 NEVHSGSNBNVIMT-UHFFFAOYSA-N 339.321 2.187 30 50 EEEA C[C@@H]1CN(C(O)=Nc2cn(Cc3ccccc3)nn2)CC(C)(C)O1 330031994 UJUCQPPZQYGGIP-CYBMUJFWSA-N 329.404 2.371 30 50 EEEA C/C(O)=N/[C@H](CC(=O)N1CC[S@](=O)C[C@H](C)C1)c1cccs1 330324573 IPSJBMFXTHGATC-GHIWOLQHSA-N 342.486 2.383 30 50 EEEA C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H](c2ccsc2)O1 241644557 PRSXOTKGHMZOOP-BXUZGUMPSA-N 349.437 2.165 30 50 EEEA CCC[C@H]1CN(Cc2ccco2)C[C@@H]1NC(=O)C1(C#N)CCOCC1 91706296 PPOKDHDDRQDFPD-RDJZCZTQSA-N 345.443 2.317 30 50 EEEA C=C(COc1ccc(C#N)cc1I)C(=O)O 2325860287 BICZVTGQDKBNMC-UHFFFAOYSA-N 329.093 2.182 30 50 EEEA C=C(C)[C@@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(F)c(F)c1 185455120 PGFTYCWVOOYZGL-CQSZACIVSA-N 344.383 2.022 30 50 EEEA COCCN1CC[C@H](CN(C)Cc2ccc(C#CC(C)(C)O)cc2)C1 952975454 IUUBXQJFDHHPAN-HXUWFJFHSA-N 344.499 2.209 30 50 EEEA C/N=C(\NCc1ccco1)NCC1CCN(CC(F)(F)F)CC1 187118022 JBAVBTHQNKXMOM-UHFFFAOYSA-N 332.370 2.219 30 50 EEEA N#CCN1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 19372572 MTTNAOBRLSUTDB-KRWDZBQOSA-N 348.450 2.297 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(Cc3ccccn3)CC2)N=N1 952881165 LDYYWBHFPJIVDR-UHFFFAOYSA-N 325.416 2.082 30 50 EEEA CO/N=C/c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(F)cc2)cc1 2325707853 JCLWAYHUMSAQTC-VYXQJKENSA-N 330.315 2.189 30 50 EEEA O=C(O)[C@H]1CCCN1C(=O)c1ccc(C#CC2(O)CCCCC2)cc1 477069 KBXARVPUNGENRO-QGZVFWFLSA-N 341.407 2.423 30 50 EEEA CC(C)(C)c1nn(CC2(CS(C)(=O)=O)CC2)c(O)c1CCC#N 351911097 WAUMCKDCVVMDIA-UHFFFAOYSA-N 339.461 2.167 30 50 EEEA O=S1(=O)CCC[C@H](N/C(O)=N/CCc2cc3ccccc3o2)C1 329770398 FYRFGHIXLCIKPE-ZDUSSCGKSA-N 336.413 2.056 30 50 EEEA COCCn1ccnc1[C@H]1CCCN(c2ccnc(OC)c2C#N)C1 91964985 JFXVCNYWMREGRU-AWEZNQCLSA-N 341.415 2.189 30 50 EEEA C=CCc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)cc(OC)c1OC 765840389 WIEYINBTXXRRIZ-LSDHHAIUSA-N 346.427 2.077 30 50 EEEA CC[C@@H](C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1cc(Cl)ccc1C#N 776715766 CHRGKTXMEGJFHN-RNCFNFMXSA-N 344.820 2.331 30 50 EEEA COCC[C@@H](NS(=O)(=O)c1ccsc1C#N)c1cccnc1 952994345 RRJUTIYZBZSNSV-GFCCVEGCSA-N 337.426 2.071 30 50 EEEA N#Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)cn1 220293335 QTRRLGXXJHMTPZ-IAGOWNOFSA-N 341.342 2.059 30 50 EEEA CCCCOc1cccc(N2C(=S)N[C@@H]3C[S@@+](=O)(O)C[C@@H]32)c1 334158296 FGOUQTNSDCTYOG-KGLIPLIRSA-P 341.478 2.283 30 50 EEEA Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/n3cnnc3)c2)cc1 2971189 YGXFSCZTXZEAOM-VXLYETTFSA-N 342.380 2.236 30 50 EEEA O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)[C@H]1CO1 1875372569 IKOROBSMYVFXEB-JKSUJKDBSA-N 328.437 2.363 30 50 EEEA N#Cc1ccc(N2CCC(NC(=O)/C=C/c3cccc(O)c3)CC2)nc1 133947878 IPQNLRKITVTOFY-FNORWQNLSA-N 348.406 2.457 30 50 EEEA CCCn1cc(N/C(O)=N/[C@@H]2CCO[C@H](c3cncn3C)C2)cn1 328614809 AMEOURRLAKRIFV-DOMZBBRYSA-N 332.408 2.273 30 50 EEEA C#C[C@@H](C)NC(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 291780554 XGGOHMAMBFCPSQ-YGRLFVJLSA-N 334.338 2.314 30 50 EEEA C=CCOc1ccc(/C=C2/NC(C)=C(C(=O)OC)C2=O)cc1OC 4094624 JGWVDYRVCVFDNB-UKTHLTGXSA-N 329.352 2.220 30 50 EEEA CC(C)(C)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 200105157 VSJNPEGKWGUNOP-UHFFFAOYSA-N 339.266 2.063 30 50 EEEA Cc1nc(NC[C@H]2CCC(=O)N(C)[C@@H]2c2nccn2C)ccc1C#N 1775959399 SSAVXGFQPNFIRZ-PBHICJAKSA-N 338.415 2.017 30 50 EEEA CCc1nc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)no1 229296670 GKSVSBWKKBFZNA-ZBFHGGJFSA-N 342.399 2.080 30 50 EEEA C=CCN1CCN(CCn2cc(CN3CCC[C@@H](C)C3)c(C)n2)CC1 65397978 MGOMUFJRZKUFIH-GOSISDBHSA-N 345.535 2.227 30 50 EEEA O/C(=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1)c1cnns1 328639241 WUALZBSTRBWWCP-SSDOTTSWSA-N 331.323 2.321 30 50 EEEA Cc1nc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)Cn2cccn2)cs1 328629203 HYEYONWIZLMULL-JSGCOSHPSA-N 337.424 2.217 30 50 EEEA C=CCN1CCN(C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 426474109 FUIYTKVQPXRNJA-GOSISDBHSA-N 339.443 2.138 30 50 EEEA CC(C)(C)OC(=O)[C@H]1Cc2ccccc2CC[C@H]1OS(C)(=O)=O 43198744 NSBVGQKHZOQIDR-LSDHHAIUSA-N 340.441 2.478 30 50 EEEA C[C@@H](C(=O)NC1(C#N)CCC1)n1c(S)nnc1-c1cccs1 170614331 GPZALTZFJCTDQK-VIFPVBQESA-N 333.442 2.419 30 50 EEEA Cc1noc2ncnc(N(CCN(C)C)Cc3ccc(C#N)cc3)c12 192488368 CPKWDSQPTPZVOS-UHFFFAOYSA-N 336.399 2.366 30 50 EEEA C=CCN(C(=O)c1sccc1C1CC1)[C@H]1CCS(=O)(=O)C1 683352837 YZCYBPJGNNWCPX-LBPRGKRZSA-N 325.455 2.441 30 50 EEEA COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OC(C)=O 251036 VUQPCLIZTUQZEU-VXLYETTFSA-N 338.319 2.251 30 50 EEEA CCOC(=O)CSc1sc2ccccc2[n+]1CC(=O)OCC 6349863 ZQMSZBFUXDKFOM-UHFFFAOYSA-N 340.446 2.407 30 50 EEEA N#Cc1ccc(OCC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)cc1 326493990 NRKBJAOUVZHQBQ-GOSISDBHSA-N 336.347 2.148 30 50 EEEA COCCn1cc2c(n1)[C@H](/N=C(/O)c1cn(C(C)(C)C)nn1)CCC2 330034708 BEBQTMPTLFYEPT-CYBMUJFWSA-N 346.435 2.258 30 50 EEEA CCn1cc([C@@H]2OCCC[C@H]2CNc2nc(C)cc(C#N)n2)cn1 886074525 BADKLWMMYSICNQ-XJKSGUPXSA-N 326.404 2.453 30 50 EEEA N#Cc1cnn2c(O)cc(CN3CCC[C@@H]([C@@H]4CC4(F)F)C3)nc12 2325797383 MCVWXPJEJPIEPF-MFKMUULPSA-N 333.342 2.174 30 50 EEEA CC/N=C1/S[C@H](CC(=O)Nc2ccccc2C#N)C(=O)N1CC 100203691 CIALLNFFNNQVLC-DOXHGZAWSA-N 330.413 2.227 30 50 EEEA O=S1(=O)CCC2(CC1)C[C@@H]2/C(O)=N/Cc1ccn2ccnc2c1 329569439 UIEFMQHSUUXCLK-CYBMUJFWSA-N 333.413 2.006 30 50 EEEA N#Cc1ccc2ncc(CN3CC[C@@](CO)(c4ccccc4)C3)n2c1 365831608 QEHLBQKNYJJZFU-HXUWFJFHSA-N 332.407 2.342 30 50 EEEA C=CCN[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccccc3)nn2C)C1 14744578 BFXRDANCNWEUAS-MRXNPFEDSA-N 338.455 2.325 30 50 EEEA C[C@H](/N=C(/O)N1CC[C@@H](C2CCOCC2)C1)c1nnc2ccccn12 328823275 IIBZJRNPLLUCEX-DZGCQCFKSA-N 343.431 2.453 30 50 EEEA N#Cc1ccc(CNC[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1 886056930 UPZOFTSKVHHIBP-IRXDYDNUSA-N 325.391 2.050 30 50 EEEA C[C@@H]1CCCN(c2cc(/C(O)=N/[C@H]3CCC(O)=NC3=O)ccn2)C1 329621536 MZUYJQZTKLECTQ-YPMHNXCESA-N 330.388 2.268 30 50 EEEA COc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1C#N 284511428 DGYYTKHDTITYGJ-LMMKCTJWSA-N 330.428 2.319 30 50 EEEA C=CCN1C[C@@H](C(=O)Nc2ccccc2CN2CCCC2)CC1=O 952961031 AKIJICYHHJNUTO-INIZCTEOSA-N 327.428 2.255 30 50 EEEA Cc1nn(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(N)c1C#N 193673013 LZILRFIAYLJLCU-GFCCVEGCSA-N 337.427 2.402 30 50 EEEA Cn1nnc(Br)c1C(=O)NC(C)(C)c1cccc(C#N)c1 855363929 IKJNWFRNFUKEGI-UHFFFAOYSA-N 348.204 2.114 30 50 EEEA CO[C@H]1C[C@@H](CN(C)c2nc(C(F)(F)F)ccc2C#N)N(C)C1 284573866 OOIRJOLSEWSTNQ-RYUDHWBXSA-N 328.338 2.127 30 50 EEEA CCc1nc(CN2CCN(CC#Cc3ccc(Cl)cc3)CC2)no1 170654271 KVVMOJWFZQEXMT-UHFFFAOYSA-N 344.846 2.455 30 50 EEEA N#Cc1ccccc1OCC(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 194610562 CZGIVZRDRBHIGI-QGZVFWFLSA-N 349.390 2.027 30 50 EEEA C=CCN1C(=O)/C(=C\c2cccc(OC)c2O)C(C(=O)OC)=C1C 113232 CQJHWWKZKVWSMO-RAXLEYEMSA-N 329.352 2.259 30 50 EEEA Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccc(C#N)s1 435439203 TZDCEZLDDBGWBY-MRVPVSSYSA-N 325.415 2.134 30 50 EEEA Cc1cc(N2CCC[C@@](O)(Cc3nc(C4CC4)no3)C2)c(C#N)cn1 818145521 LLGLTDCWEUTMGD-GOSISDBHSA-N 339.399 2.096 30 50 EEEA N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](c3ccon3)C2)c(F)c1 1875279030 UVHTVMOXEOJURZ-JTQLQIEISA-N 339.323 2.003 30 50 EEEA C#CCC1(O)CCN(c2ncnc3c2ncn3-c2ccccc2)CC1 882968729 WNSJIHIKAIFUPT-UHFFFAOYSA-N 333.395 2.170 30 50 EEEA C#CCCC1(CCC(=O)N(C)CC(=O)Nc2cc(C)ccn2)N=N1 2325886406 WBJHPGKODYUFKV-UHFFFAOYSA-N 327.388 2.143 30 50 EEEA CC[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)c1ncnn1CC 244899864 ZRSCVSBNOQWJGQ-MRXNPFEDSA-N 340.427 2.302 30 50 EEEA CC[C@@H](C)[C@H](C(=O)O)N(C)S(=O)(=O)c1cc(Cl)ccc1C#N 776715764 CHRGKTXMEGJFHN-NOZJJQNGSA-N 344.820 2.331 30 50 EEEA N/C(Cc1ccc([N+](=O)[O-])cc1)=N/OC(=O)c1ccc([N+](=O)[O-])cc1 18173046 SVASYEVXAOHGJV-UHFFFAOYSA-N 344.283 2.175 30 50 EEEA COC(=O)[C@H]1C(=O)/C(=C/Nc2cccc([N+](=O)[O-])c2)C(=O)CC1(C)C 100318948 QTQAXYDCNKGTPR-BRADTZPFSA-N 346.339 2.248 30 50 EEEA C[C@H](C/N=C(/O)N1CCO[C@H](CO)C1)c1ccc(C(F)(F)F)cc1 331278243 GRRMCBBXMDEYCP-RISCZKNCSA-N 346.349 2.416 30 50 EEEA COC[C@H](/N=C(/O)[C@@H]1CCCO[C@H]1c1ccnn1C)[C@H]1CCCO1 328943792 AMZZYGPCWWHKIN-OCVGTWLNSA-N 337.420 2.038 30 50 EEEA COCCN1CCC[C@]2(CCN(c3nc(C)cc(C)c3C#N)C2)C1=O 91770668 UPSCILJBRYUPHB-LJQANCHMSA-N 342.443 2.035 30 50 EEEA CCOc1ccc(NC(=O)N2CCO[C@@H](CCOC)C2)cc1C#N 299762459 WZCMRBZWWMIJQZ-HNNXBMFYSA-N 333.388 2.226 30 50 EEEA COC(=O)c1cc(C#N)c(N2CCC[C@H](c3ccn[nH]3)C2)nc1C 67446692 CYDCYJHCTWPFQO-LBPRGKRZSA-N 325.372 2.155 30 50 EEEA Cc1cnn(CC/C(O)=N/[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1 328610413 HTXLEXWZOAXYAL-YOEHRIQHSA-N 331.420 2.419 30 50 EEEA CN(Cc1ccccc1[N+](=O)[O-])C(=O)C#Cc1ccc2c(c1)OCO2 177847312 QCVUCHAWSAZILT-UHFFFAOYSA-N 338.319 2.334 30 50 EEEA C#CCO[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 294414302 LFMKTDBGOYDQJT-CYBMUJFWSA-N 330.384 2.050 30 50 EEEA C=C(C)[C@H](NC(=O)N1CCS(=O)(=O)CC1)c1ccc(F)c(F)c1 185455097 PGFTYCWVOOYZGL-AWEZNQCLSA-N 344.383 2.022 30 50 EEEA Cc1cc([C@@H](C#N)C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)nc(C)n1 750684587 SBODMQDEMPCMJH-BXUZGUMPSA-N 349.394 2.360 30 50 EEEA COc1ccccc1CC(=O)O/N=C(\N)c1ccc(OC)c(OC)c1 8573018 CNTHELRZBOGIMT-UHFFFAOYSA-N 344.367 2.119 30 50 EEEA C=CCN(Cc1ccccc1C)C(=O)CCSc1nnnn1C 55255393 PQGADVYWQOMWCP-UHFFFAOYSA-N 331.445 2.216 30 50 EEEA O/C(N=c1cc[nH]cc1)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328641851 YCSMIHFMZUKMQS-JTQLQIEISA-N 339.321 2.307 30 50 EEEA CN1CC[C@@H](CNCc2cnc3ccc(C#N)cn23)[C@@H]1c1cccnc1 328652683 WPLIZDCEEGIEGH-PXNSSMCTSA-N 346.438 2.384 30 50 EEEA Cc1nn(CC(=O)c2cnn(-c3ccccc3)c2C)c(=O)c(C#N)c1C 253417208 HTZBSOGJKBWTMT-UHFFFAOYSA-N 347.378 2.109 30 50 EEEA C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 257365861 WSLONRRXAMDWOY-BMGDILEWSA-N 327.428 2.411 30 50 EEEA COc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1OC 13735002 SEIKERGPCNVZDX-UHFFFAOYSA-N 345.424 2.494 30 50 EEEA C#CCOc1c(I)cc(/C=N/O)cc1OC 16195344 FZLYMGFCLKLDPD-NTUHNPAUSA-N 331.109 2.120 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2COc3ccc(OC)cc3C2)N=N1 1180365314 OWOWVWFPQZENAI-AWEZNQCLSA-N 327.384 2.328 30 50 EEEA CCOCC(C)(C)CNS(=O)(=O)CCOC1(C#N)CCCCC1 1775998796 KAKYELKIJXIBRB-UHFFFAOYSA-N 346.493 2.212 30 50 EEEA C[C@H](O)c1ncc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)s1 225744931 JWEMTLPDHOLLPD-GOEBONIOSA-N 342.468 2.406 30 50 EEEA CCOc1ccc(C#N)cc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 248380198 PGQZAXMIIAZTKT-GVAFMPQTSA-N 326.352 2.418 30 50 EEEA CN(CCCOc1cccc(C#N)c1)[C@@H]1CCC[C@H]1S(C)(=O)=O 252477915 XQDHYEPOMMCCJQ-IAGOWNOFSA-N 336.457 2.225 30 50 EEEA C[C@H]1CCC[C@H](C)N1C/C(N)=N/OCC(=O)N[C@H]1CCCC[C@H]1C 239882360 DBKVBVWKMFISSP-UGUYLWEFSA-N 338.496 2.233 30 50 EEEA CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 426581013 MOOILBWYIQLUEF-GOSISDBHSA-N 348.406 2.361 30 50 EEEA COc1ccc(C(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)cc1OC 18173012 ATWDGIHUINENIX-UHFFFAOYSA-N 345.311 2.089 30 50 EEEA CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)c1ccc(C#N)cn1 952993391 GSMSSOVPBBUHIO-LLVKDONJSA-N 336.321 2.306 30 50 EEEA CC(C)C(=O)N1CCC(CNC=C2C(=O)CC(C)(C)CC2=O)CC1 100570313 PZWAEYPULJAMPZ-UHFFFAOYSA-N 334.460 2.313 30 50 EEEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C12CC2 104320847 BAOWMYTUKUMZDC-LKBDPDMFSA-N 337.335 2.126 30 50 EEEA N#Cc1cnccc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 367347727 MOZQMNCJUFOLGN-FQEVSTJZSA-N 347.466 2.350 30 50 EEEA N#Cc1ccc(N2CCN(CCC(F)(F)C(F)F)CC2=O)cc1 92061550 PJSUSKUDVBWSCW-UHFFFAOYSA-N 329.297 2.497 30 50 EEEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3cccc(Cl)c3Cl)[C@@H]2C1 334158183 WACGEWALAZOZOJ-VXNVDRBHSA-P 338.261 2.411 30 50 EEEA O=C1/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)N2CCC1CC2 39324019 KWWHXKRSBUICBO-ATVHPVEESA-N 343.383 2.067 30 50 EEEA CCN(CC)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169811026 CRSLAGARSMICFC-UHFFFAOYSA-N 339.266 2.016 30 50 EEEA in-vitro C[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc23)C[C@H](CO)O1 302738713 BXHFZSUBLQJEHJ-GXFFZTMASA-N 349.337 2.294 30 50 EEEA CC/N=C1\S[C@H](CC(=O)Nc2ccccc2C#N)C(=O)N1CC 13427601 CIALLNFFNNQVLC-LTRYHMRKSA-N 330.413 2.227 30 50 EEEA CC1(C)OB(c2cc(N)c([N+](=O)[O-])cc2OC(F)(F)F)OC1(C)C 170004876 YFRFILBLEOGJMG-UHFFFAOYSA-N 348.086 2.375 30 50 EEEA C=C(Br)CN1CCN(S(C)(=O)=O)c2ccccc2C1 253417172 KLXDMSUZAIUHRU-UHFFFAOYSA-N 345.262 2.177 30 50 EEEA C=CCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82109711 NOPQKBCVGFFFDS-LJQANCHMSA-N 344.459 2.150 30 50 EEEA COCCN1CC[C@@H](CN(C)Cc2ccc(C#CC(C)(C)O)cc2)C1 952975450 IUUBXQJFDHHPAN-FQEVSTJZSA-N 344.499 2.209 30 50 EEEA CN(Cc1ccc(C#N)s1)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 275545948 FTQIOFZXGBEJNB-GJZGRUSLSA-N 347.463 2.398 30 50 EEEA O=[N+]([O-])c1cccc(-c2ccc(/C=N/[C@@H]3CCS(=O)(=O)C3)o2)c1 1099110 FASKTSYODKKWEU-GFQQVXNGSA-N 334.353 2.461 30 50 EEEA C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C#N)nc1 1875252269 UGRJEOJNQOYCLN-UHFFFAOYSA-N 326.381 2.168 30 50 EEEA N#Cc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)cc1F 886078498 XZYKBPBFSLSHCN-UKRRQHHQSA-N 328.347 2.205 30 50 EEEA C[C@@H](NC(=O)COc1ccc(C#N)nn1)c1ccc2c(c1)CCCC2 1775998741 HSILCORBSBXCQM-CYBMUJFWSA-N 336.395 2.483 30 50 EEEA N#Cc1cccc([C@H]2CN(C(=O)c3cnc(N)c(Cl)c3)CCO2)c1 2325710819 LLBAZXYGCFZQTB-OAHLLOKOSA-N 342.786 2.403 30 50 EEEA C#CCCC1(CCNC(=O)c2cc(C(=O)O)c3n2CCCC3)N=N1 2325901057 RYYXUTDTJYAWRP-UHFFFAOYSA-N 328.372 2.218 30 50 EEEA COc1cc(-c2cc(C(C)C)nc(N)c2C#N)ccc1OCC(N)=O 67650815 NEWDOAOZLBODNB-UHFFFAOYSA-N 340.383 2.199 30 50 EEEA Cc1cc(N2C[C@H](/C(O)=N/[C@H]3CCC(O)=NC3=O)CC2=O)ccc1F 329309558 FMWKPDHNNDGKTM-MFKMUULPSA-N 347.346 2.089 30 50 EEEA Cn1ccnc1N1CCC(Nc2cc(C#N)ccc2[N+](=O)[O-])CC1 253433114 SAIGEMGEMKLUFY-UHFFFAOYSA-N 326.360 2.281 30 50 EEEA C=CCCC(=O)N1CCN(C(=O)CCC=C)[C@H](c2nccn2C)C1 408514552 NGRDNIKWYCSHHW-HNNXBMFYSA-N 330.432 2.064 30 50 EEEA C=CCNC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12587041 MWODUXXJGXXIOB-GFCCVEGCSA-N 341.333 2.292 30 50 EEEA C=C(C)CN(CC)c1nnnn1CC[C@H]1CCC2(CCOCC2)CO1 952879141 NUTFZXFGLOEPMF-MRXNPFEDSA-N 349.479 2.441 30 50 EEEA CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CO2)[C@H]1c1ccc(Cl)c(F)c1 1875372659 KKOWKHGUDKCJDY-GZBFAFLISA-N 340.782 2.045 30 50 EEEA C=CCCCCCS(=O)(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 1775992044 WVCFSCIEZMKRMO-HNNXBMFYSA-N 325.478 2.361 30 50 EEEA CCOCC/N=C(/O)N1CCC[C@@H](Nc2ccc(N(C)C)nc2)CC1 328631702 KTBRCTPRMYBEIE-OAHLLOKOSA-N 349.479 2.365 30 50 EEEA C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CCN1C 121936539 DLKYXBSGVLZVEF-NEPJUHHUSA-N 341.864 2.315 30 50 EEEA Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCc3ncc(C)o3)C2)n1 241371258 MLTOAEPHWUYWLS-HNNXBMFYSA-N 339.399 2.091 30 50 EEEA N#Cc1cccc(C2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)c1 92062351 MQGWHUUQOXCAKG-QGZVFWFLSA-N 340.427 2.055 30 50 EEEA CCOc1ccccc1/C=N/O[C@@H]1CCCN(c2cnn(C)c2)C1=O 170642538 BRGLFLUACHOLET-MLHZQLSASA-N 342.399 2.365 30 50 EEEA N#CC1(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CCOCC1 109138476 KDELYNKJURULFH-UHFFFAOYSA-N 347.846 2.305 30 50 EEEA N#Cc1ccnc(N2CCN3C(=O)OC[C@@]3(Cc3ccccc3)C2)c1 1857667797 YJKFXDGJHOCDDF-LJQANCHMSA-N 334.379 2.207 30 50 EEEA CCc1nc(S[C@H](C)C(=O)Nc2ccccc2)[nH]c(=O)c1C#N 5238993 JTAWONMYLQIUPA-SNVBAGLBSA-N 328.397 2.323 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)N=N1 952880476 GKICIFUHALOBAP-OWCLPIDISA-N 330.432 2.105 30 50 EEEA CCOC(=O)c1cn(Cc2csc(-c3ccccn3)n2)nc1C#N 1875347000 HAWWMJFEXBKBPH-UHFFFAOYSA-N 339.380 2.498 30 50 EEEA CC1(C)C[C@@H](CC(N)=O)N(c2ncc(Br)cc2C#N)C1 2325790743 HCEMQKRSLTWVKV-LLVKDONJSA-N 337.221 2.196 30 50 EEEA C[C@H]1Cc2c(C#N)cccc2N1S(=O)(=O)c1cn2c(n1)CCCC2 2325809805 PESUQYBSIJOXGZ-LBPRGKRZSA-N 342.424 2.231 30 50 EEEA C#CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2)c2ccccc21 301698 FQEGTMPPWZJHSU-FQEVSTJZSA-N 335.359 2.136 30 50 EEEA N#Cc1ccccc1/C=C/C(=O)N1CCCC[C@@H]1CN1CCOCC1 171865811 BVNWMBRDNKPDGU-CSHXORCISA-N 339.439 2.285 30 50 EEEA N#CC1(CNC(=O)CNC(=O)c2ccc(F)c3ccccc23)CC1 253432472 ZUWNTHAPYWPRKF-UHFFFAOYSA-N 325.343 2.129 30 50 EEEA COC(=O)[C@H]1CN(c2nccnc2C#N)C[C@@H]1c1ccc(F)cc1F 239762187 CLESPDGKOAXMAW-OLZOCXBDSA-N 344.321 2.019 30 50 EEEA N#Cc1ccc(NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cn1 301527263 QGWOQSGOUDTHMP-KRWDZBQOSA-N 349.438 2.263 30 50 EEEA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 275890329 HRARNJMIFTUGTO-KRWDZBQOSA-N 337.427 2.408 30 50 EEEA C=CCNC(=O)[C@@H](C)N1CCCN(C(=O)c2ccc(C)c(C)c2)CC1 1198015786 OTOVAIVCCVKOJC-QGZVFWFLSA-N 343.471 2.142 30 50 EEEA C#C[C@](C)(CC)OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 12421453 IAFFRPSKIJMCEA-RTBURBONSA-N 334.435 2.127 30 50 EEEA CC1=C/C(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)C=C(Cl)C1=O 16115235 IOTJBODIXYKTTD-OQLLNIDSSA-N 340.744 2.376 30 50 EEEA C[C@@H]1CCc2c(sc(NC(=O)CCN3CCOCC3)c2C#N)C1 19902693 OCVGZJQNBMQSQM-GFCCVEGCSA-N 333.457 2.405 30 50 EEEA CN(C[C@@]1(C)CCCO1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 1875306678 BSMCUPZVPSQLAU-LJQANCHMSA-N 342.443 2.197 30 50 EEEA C=C1C[C@@H]1C(=O)NCc1ccc(-n2cc(C(C)(C)OC)nn2)cc1 1875323636 NRKJWPUDRDJSAH-HNNXBMFYSA-N 326.400 2.341 30 50 EEEA N#Cc1cccc(C#N)c1N1CCC(C(=O)Nc2nncs2)CC1 225511403 QDMAXBWBVALWNK-UHFFFAOYSA-N 338.396 2.137 30 50 EEEA C=C(C)COc1ccc(C(=O)NC[C@@H](CC)N2CCOCC2)cc1 55224704 ABXKUEIUPHISRR-QGZVFWFLSA-N 332.444 2.482 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2nc(C(C)C)ns2)C1 328610199 GYFFBNGQFQRQAP-CQSZACIVSA-N 336.421 2.435 30 50 EEEA CCOC(=O)c1nn(-c2cccc(Br)c2)c(N)c1C#N 38537294 SPNROCVJFAVRHA-UHFFFAOYSA-N 335.161 2.265 30 50 EEEA CN(C)S(=O)(=O)c1ccccc1-c1noc(C2(C#N)CCCC2)n1 241515707 OHHCWZGXRWXLAK-UHFFFAOYSA-N 346.412 2.322 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cccc(CC#N)c1 368582625 LGKIRAUGHBGWMG-QGZVFWFLSA-N 338.411 2.317 30 50 EEEA C=CC[C@@]1(CO)CCCN(CCC(=O)NCc2ccc(F)cc2)C1 91794166 AAFFANCAWYENGT-LJQANCHMSA-N 334.435 2.483 30 50 EEEA Cc1cc(C)n2nc(CC(=O)N3c4cccc(C#N)c4C[C@H]3C)nc2n1 2325810243 DSVFCTIITUATIF-GFCCVEGCSA-N 346.394 2.133 30 50 EEEA CC(C)c1ocnc1C(=O)N1CCN(c2ncccc2C#N)CC1 214948177 PLUFIGCINAHIJN-UHFFFAOYSA-N 325.372 2.027 30 50 EEEA C[C@H]1CN(c2ccc(C(=O)NC3(C#N)CCCC3)cn2)C[C@@H](C)O1 124787501 DAYMXDMIQOYTHX-OKILXGFUSA-N 328.416 2.261 30 50 EEEA Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1cccnc1C#N)CCC2 253431683 HUWKWFFDZOMETP-CYBMUJFWSA-N 348.453 2.416 30 50 EEEA N#Cc1ncn(CC(=O)N(Cc2ccccc2)Cc2ccco2)c1C#N 253416186 SDVFWMIRIWTIAS-UHFFFAOYSA-N 345.362 2.448 30 50 EEEA COc1ccc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1C#N 152698541 SDYLJJQOVBJTOA-INIZCTEOSA-N 335.363 2.230 30 50 EEEA CC(C)(O)C#Cc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1 828172213 PSWOVANVFOAQSE-UHFFFAOYSA-N 349.434 2.166 30 50 EEEA CC1(C)OB(c2cccn2S(=O)(=O)c2ccccc2)OC1(C)C 169988733 CXVJEWBKHTYGOH-UHFFFAOYSA-N 333.218 2.024 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)N=N1 2325892440 NQQPJUFMYYYQMC-GDBMZVCRSA-N 342.443 2.344 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1sccc1C#N 328609740 FQNUXYZCDZLVNH-JSGCOSHPSA-N 330.413 2.230 30 50 EEEA Cc1ccnc(N2C[C@@H](CO)[C@H](c3cnn(C(C)C)c3)C2)c1C#N 284684688 YJEUQWUWAHSQBQ-RDJZCZTQSA-N 325.416 2.251 30 50 EEEA COc1ccc2nc(CCNC(=O)N3CCC(C#N)CC3)[nH]c2c1 426662383 VUUVPRNZLXIGPV-UHFFFAOYSA-N 327.388 2.059 30 50 EEEA N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cn1 91830434 XOFWUFYOMMJNAK-QFBILLFUSA-N 347.422 2.085 30 50 EEEA C=C[C@](C)(O)CC(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952891571 GGJQJRLNXDSIDY-SFHVURJKSA-N 345.374 2.303 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)N=N1 2325892363 KXFBWYXQQPCDGR-HOTGVXAUSA-N 343.431 2.190 30 50 EEEA C=CCN(CC=C)C(=O)CN1CCC[C@H](c2nnc3ccccn23)C1 65372223 SGTCWGKXTOJWHN-INIZCTEOSA-N 339.443 2.109 30 50 EEEA COc1cc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)ccc1O 1429566 RBOXPDYRAXWZAE-GFCCVEGCSA-N 330.384 2.200 30 50 EEEA N#C[C@@H](C(=O)NC1CC1)C(=O)c1c[nH]nc1-c1ccc(F)c(Cl)c1 155708277 OLNHEXGKRJMJEN-SNVBAGLBSA-N 346.749 2.470 30 50 EEEA C#CCCC1(CCN(CCO)Cc2ccc(OC)cc2OC)N=N1 2325891771 LXSLBAZPUKBBTR-UHFFFAOYSA-N 331.416 2.464 30 50 EEEA C#CCCC1(CCC(=O)Nc2cnccc2N2CCN(C)CC2)N=N1 2325892418 MPQRBROEASNTQG-UHFFFAOYSA-N 340.431 2.128 30 50 EEEA C=CCn1c(SCc2cccc(C)c2)nc2c1c(=O)[nH]c(=O)n2C 79475 KQOOFOZHVYUVBK-UHFFFAOYSA-N 342.424 2.210 30 50 EEEA CCOCCCNC(=O)C1CCN(c2c(C#N)cccc2C#N)CC1 195186441 GQSNBGVVVYHCKM-UHFFFAOYSA-N 340.427 2.189 30 50 EEEA O=C(NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn12)[C@H]1CO1 1875373083 TVWFWWUXSOBUIO-CQSZACIVSA-N 329.306 2.295 30 50 EEEA Cc1c(C(=O)N2CCCN(C3CCCC3)CC2)cnc(O)c1C#N 72475258 IPVRRRZKHRFCRZ-UHFFFAOYSA-N 328.416 2.058 30 50 EEEA COc1ccc(OC)c(S(=O)(=O)N/N=C\c2ccc(C)s2)c1 17071249 AWKDBJASALURGI-DHDCSXOGSA-N 340.426 2.386 30 50 EEEA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccccc1C#N 221279124 RENPBRKJIRONQQ-AWEZNQCLSA-N 325.412 2.421 30 50 EEEA CC(C)(C)OC(=O)N1CC[C@@H](CCOS(C)(=O)=O)C(F)(F)C1 390822858 LUFOKRAKBXHRJO-JTQLQIEISA-N 343.392 2.245 30 50 EEEA COc1nccc(N[C@H]2CCOC[C@@H]2OCc2cscn2)c1C#N 1565506543 AKPIMDXOYVFNQD-GJZGRUSLSA-N 346.412 2.205 30 50 EEEA CC(C)OCC/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 328628012 GTYQERVJJHFUQV-GJZGRUSLSA-N 326.416 2.104 30 50 EEEA Cc1oc(C#N)cc1C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 370459121 GGAWMRGAPYJKPQ-INIZCTEOSA-N 341.342 2.476 30 50 EEEA C#CCCC1(CCC(=O)NCc2cnc(C(F)(F)F)nc2)N=N1 952881082 KSOFUQSXKSLEJM-UHFFFAOYSA-N 325.294 2.467 30 50 EEEA CN1C(=O)C[C@@H](CNC(=O)c2cccc(CC#N)c2)[C@@H]1c1cccnc1 886055005 FLQWQVFDNNGNEH-HKUYNNGSSA-N 348.406 2.097 30 50 EEEA C#CCCC1(CCNC(=O)c2oc(-c3cnn(C)c3)nc2C)N=N1 2325887279 AKHLESGJAZCGTN-UHFFFAOYSA-N 326.360 2.079 30 50 EEEA Cc1ccccc1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 192128270 LNACXJSAXVRYCP-LJQANCHMSA-N 347.418 2.327 30 50 EEEA C=C(CNC(=O)N1CC[C@H](c2cc(O)nc(O)n2)C1)c1ccccc1 1775993625 SRGICCWFKNLZEH-AWEZNQCLSA-N 340.383 2.100 30 50 EEEA COc1ccc(C)c(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CCC3)c1 100197495 SCADXOTUDJDJAA-GFCCVEGCSA-N 328.368 2.085 30 50 EEEA N#Cc1cc2c(=O)n([C@H]3CCN(Cc4ccccc4)C3)ccc2nc1O 67743666 ISYTULJVOQHETL-INIZCTEOSA-N 346.390 2.421 30 50 EEEA CCC(CC)[C@H](/C(O)=N/[C@@H]1CCc2c[nH]nc2C1)N1CCOCC1 329834600 GZGYBIHNTMCDDZ-NVXWUHKLSA-N 334.464 2.361 30 50 EEEA N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cc1 91412408 SUJFTLOWXJSMPM-DOTOQJQBSA-N 333.395 2.089 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NCc2nc(C(C)(C)C)no2)o1 244872920 WGXHTDMPCQAIJL-UHFFFAOYSA-N 331.372 2.013 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225685210 SWMGXOJRVRUQDE-HZPDHXFCSA-N 346.383 2.194 30 50 EEEA Cn1ncc2c(N[C@@H]3CCCN(c4ccccc4C#N)C3)ncnc21 364875895 COVGYLMBXJIMAK-CQSZACIVSA-N 333.399 2.316 30 50 EEEA CC(C)C#CC(=O)N1CCC(c2nccc(-c3cncnc3)n2)CC1 952895296 ZJRVEHQQLXOQSQ-UHFFFAOYSA-N 335.411 2.299 30 50 EEEA CC1(C)[C@@H](O)C[C@@H]1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 1875292328 DOLZOKCSUBNFQK-QAPCUYQASA-N 341.455 2.440 30 50 EEEA Cc1nc(C(=O)N2CCC[C@H]2c2ccc(N(C)C)nn2)ccc1C#N 886080441 SCNIHRXCXNEGOH-INIZCTEOSA-N 336.399 2.095 30 50 EEEA N#Cc1cc(Br)ccc1N1CC[C@@H](N2CCOCC2)C1 130456397 YZRDDZJOBIXLSE-CQSZACIVSA-N 336.233 2.232 30 50 EEEA N#Cc1cnn2c(=O)nc(SC[C@@H]3CC[C@@H]4[C@@H](C3)C4(F)F)[nH]c12 2325783531 DPKRAYJFNHVEJE-SZEHBUNVSA-N 337.355 2.063 30 50 EEEA COc1cccc(OC)c1C(=O)ON1C(=O)c2ccccc2C1=O 293931 OWZQCMILXAXHDT-UHFFFAOYSA-N 327.292 2.072 30 50 EEEA C=CCNc1ccccc1C(=O)NCC[C@@H](C)N1CCN(C)CC1 65495153 ICMLWFMLADUZKK-MRXNPFEDSA-N 330.476 2.040 30 50 EEEA N#Cc1cccnc1N1CCN2C(=O)OC[C@@]2(Cc2ccccc2)C1 1857682295 IJDGYSVVFCBKEJ-LJQANCHMSA-N 334.379 2.207 30 50 EEEA CCN(CC)C(=O)[C@H]1CCCN1c1nnc2c(c1C#N)CCCC2 2325802033 CSQWSTDMSRLSOK-MRXNPFEDSA-N 327.432 2.064 30 50 EEEA C=CCN(CC#Cc1ccccc1)C(=O)c1cc2n(n1)CCCN(C)C2 65394187 KMAZOBJHNMZHRL-UHFFFAOYSA-N 348.450 2.399 30 50 EEEA COc1cc([C@H](C#N)NC(=O)[C@@]2(C)CC2(F)F)cc(OC)c1OC 421504165 ZIKQZQOLQBTABI-ZUZCIYMTSA-N 340.326 2.439 30 50 EEEA N#Cc1cc2c(=O)n(CCc3nc4ccccc4[nH]3)ccc2nc1O 67947519 MNUQJKXPJRFCNN-UHFFFAOYSA-N 331.335 2.093 30 50 EEEA C[C@@H]1Cc2cc(Cn3ccc4nc(O)c(C#N)cc4c3=O)ccc2O1 67907907 VENJIVNUQBLGRH-LLVKDONJSA-N 333.347 2.345 30 50 EEEA CO[C@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 363667125 WRIWWONYDYYYNW-NSHDSACASA-N 330.356 2.026 30 50 EEEA CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 245226948 TTZLOJRHGLDNSU-VOXQFWPCSA-N 336.391 2.472 30 50 EEEA N#Cc1cccc(-n2ccc(C(=O)N3CCCC[C@@H]3c3nnc[nH]3)n2)c1 296529542 WQMJHYUBBRUQPX-MRXNPFEDSA-N 347.382 2.229 30 50 EEEA C[C@@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 194083434 WEVAIHXMJHXFEV-PRHODGIISA-N 340.305 2.223 30 50 EEEA C[C@@H]1CN(C)c2ccccc2CN1C(=O)C(=O)Nc1ccc(C#N)cc1 119611497 SZSGOFGKGURSCF-CQSZACIVSA-N 348.406 2.364 30 50 EEEA C/N=C(/[C@H](C#N)c1nnc(C)n1C)N(C)CCOc1ccccc1C 225504649 FTQGXFTZMHPPAR-IENXAOORSA-N 340.431 2.078 30 50 EEEA CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 245309444 CYIRFOHUIPKUIU-ICRPYMEDSA-N 335.407 2.140 30 50 EEEA CCOC(=O)/C(C#N)=N/Nc1ccc(I)cc1 358193 XZONIVBHDUGRDS-XNTDXEJSSA-N 343.124 2.146 30 50 EEEA C=CCCC(=O)N1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1 12042506 OJDQQXZYWJIELI-OAHLLOKOSA-N 347.463 2.154 30 50 EEEA CC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 5182935 WOKLHMUARQICEI-UHFFFAOYSA-N 346.390 2.493 30 50 EEEA C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1Cc1ccn2ncnc2c1 2325771899 ZXLCWLCAGJJEIE-INIZCTEOSA-N 346.438 2.307 30 50 EEEA CCOCC/N=C(/O)CN1CCC[C@@H]1c1nc2c(n1C)CCCC2 328647195 TUSNGEHDEDFXKW-MRXNPFEDSA-N 334.464 2.429 30 50 EEEA C=CCCOCCNC(=O)Nc1cccn(CC(F)(F)F)c1=O 125054113 OPWMISYXGMWQKQ-UHFFFAOYSA-N 333.310 2.125 30 50 EEEA C[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@@H]1OCCc2sccc21 294862427 ONDPDUGMRWKDBW-SDBXPKJASA-N 327.369 2.103 30 50 EEEA C=CCc1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)cc(OC)c1OC 765840388 WIEYINBTXXRRIZ-HUUCEWRRSA-N 346.427 2.077 30 50 EEEA Cc1ncc2c(c1C#N)CCN(C(=O)c1cc(CC(C)C)nn1C)C2 65493842 INDMMQJHUGLLHM-UHFFFAOYSA-N 337.427 2.392 30 50 EEEA Cn1cncc1[C@H](O)/C(O)=N/CC(O)=Nc1cccc2cccnc12 328592147 AWGHKGKDJBDPRG-INIZCTEOSA-N 339.355 2.246 30 50 EEEA CCOc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 280475122 GVNMCLMXDZEVEA-DGCLKSJQSA-N 331.372 2.230 30 50 EEEA C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccnc(-n2cccn2)c1 170605856 CTOGHMSDDMSVQO-CQSZACIVSA-N 347.378 2.223 30 50 EEEA N#Cc1ccc(N2CCC[C@@](O)(c3cnn[nH]3)C2)c(C(F)(F)F)c1 793980652 PWUTUFCEISUTEU-AWEZNQCLSA-N 337.305 2.183 30 50 EEEA N#Cc1ccc(F)cc1CS(=O)(=O)c1ccc2c(c1)OCCO2 323041183 BAAQHCKRAFZPLW-UHFFFAOYSA-N 333.340 2.442 30 50 EEEA N#Cc1cccc([C@@H](O)CN2CCC(O)(Cc3ccccn3)CC2)c1 1434479257 SIVXJEFLYQKMSE-IBGZPJMESA-N 337.423 2.056 30 50 EEEA C/C(=N/N=C1/NC(=O)C[C@@H](C(=O)O)S1)c1ccc(Cl)cc1 5479886 SBGPOCHUEVQQJA-QOZZSIDGSA-N 325.777 2.126 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)N=N1 2325891612 QLGJYVDOMFJDKW-LSDHHAIUSA-N 325.368 2.373 30 50 EEEA CC(C)CN(CC#Cc1ccccc1)C(=O)[C@@H](C)N1CCN(C)CC1 55108175 LGDNTSISUDCCFN-LJQANCHMSA-N 341.499 2.159 30 50 EEEA COc1ccc(C(=O)N2CCSC[C@@H]2C#N)cc1-c1ccn(C)n1 371542687 LTXPOZASKRXWIN-ZDUSSCGKSA-N 342.424 2.177 30 50 EEEA Cn1cc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)c(-c2ccccc2)n1 71419090 FWOKQFANCGAJPR-ZDUSSCGKSA-N 344.422 2.419 30 50 EEEA N#Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2OCc2ccccc2)cn1 1565506093 JAQFGDAMCPZEBV-ROUUACIJSA-N 337.379 2.057 30 50 EEEA CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccco1 19883761 CIENHCCPHMMPGK-AWEZNQCLSA-N 346.408 2.481 30 50 EEEA N#CC1(CCCN2CCc3ccccc3[C@H]2C(N)=O)CCOCC1 369056512 RGYFUZPZERKJQK-KRWDZBQOSA-N 327.428 2.172 30 50 EEEA C=CCNC(=O)CCc1nc(-c2ccc(OCC)c(OC)c2)no1 4488182 KTFMZRQUGSVATH-UHFFFAOYSA-N 331.372 2.379 30 50 EEEA COC(=O)CSC/C(C)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4105570 AOZGDKSSIPBKTO-JYRVWZFOSA-N 342.333 2.197 30 50 EEEA CN(C)CC1CCN(C(=O)C/N=C(/O)c2ccc(F)cc2F)CC1 330974482 HDEUBLQGQWQLRZ-UHFFFAOYSA-N 339.386 2.070 30 50 EEEA CCn1cnnc1[C@@H]1CN(CCCOc2cccc(C#N)c2)CCO1 328652693 WPSXLDPLTBGEMB-KRWDZBQOSA-N 341.415 2.012 30 50 EEEA N#C[C@]1(NC(=O)c2cccc3c2OCC(=O)N3)CCc2ccccc2C1 183976396 TUJCGHXFEKZSIK-FQEVSTJZSA-N 347.374 2.199 30 50 EEEA C[C@H]1CCCN(C[C@@H](C)NS(=O)(=O)Cc2cccc(C#N)c2)C1 189146133 SCXULBFIAFLYAI-LSDHHAIUSA-N 335.473 2.098 30 50 EEEA N#Cc1sccc1S(=O)(=O)N1CCCC[C@H]1c1ncccn1 952993024 AENIGQRTTBQLGD-NSHDSACASA-N 334.426 2.326 30 50 EEEA CN(C)C(=O)[C@H]1CC[C@@H](C2CCN(c3ccc(C#N)cc3)CC2)O1 1775957649 GCGCICPQYCJWQO-ZWKOTPCHSA-N 327.428 2.410 30 50 EEEA CN(C)c1ccnc(N/C(O)=N/[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 328588799 WPJTWGWNNQBNRA-ZBFHGGJFSA-N 340.431 2.314 30 50 EEEA CCc1nc(CN(C)C(=O)c2cccc(C#CC(C)(C)O)c2)no1 217096171 VSFCFSNNLAZASO-UHFFFAOYSA-N 327.384 2.027 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2COc3cc(OC)ccc3C2)N=N1 952880143 JJXFZVRLGJWTTJ-AWEZNQCLSA-N 327.384 2.471 30 50 EEEA Cc1ccnc(N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)c1C#N 886041118 VNAPMKHRSVZSMR-QGZVFWFLSA-N 337.427 2.376 30 50 EEEA COc1cc(N=C(O)N2CC(O)(C3CC3)C2)ccc1Br 328588385 DMCYKUYPNOIKSC-UHFFFAOYSA-N 341.205 2.460 30 50 EEEA CCn1ccnc(N2CCC(/N=C(/O)c3scnc3C)CC2)c1=O 328609375 DADXKLOFMPMCMO-UHFFFAOYSA-N 347.444 2.002 30 50 EEEA CCc1nc(SCc2cccc(C(=O)OC)c2)[nH]c(=O)c1C#N 5238865 JPOWAIHCGKBNHJ-UHFFFAOYSA-N 329.381 2.283 30 50 EEEA CO[C@@H]1C[C@H](CNc2ncc(C#N)cc2Cl)N(c2ccncn2)C1 952886983 HLWFWKMOYXGUAG-CHWSQXEVSA-N 344.806 2.102 30 50 EEEA CC#CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(F)(F)F 1875371233 UPQXBRPTQVTGHK-GHMZBOCLSA-N 334.338 2.171 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)N=N1 2325892364 KXFBWYXQQPCDGR-HZPDHXFCSA-N 343.431 2.190 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2Cc3ccccc3[C@H]2C(=O)OC)N=N1 2325892903 POLOMMPEHVCGFE-NVXWUHKLSA-N 339.395 2.340 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1 381137 QEXTVQZMDFSGFG-ZFWWWQNUSA-N 346.339 2.058 30 50 EEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 4113616 JBESNXINOYGXMX-MRXNPFEDSA-N 346.383 2.451 30 50 EEEA Cc1cc(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)no1 172045431 AMOVODKVZILGDN-UHFFFAOYSA-N 338.411 2.132 30 50 EEEA N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](Cc3ccccc3)C2)s1 331726948 NVCXROGSTJPUFI-AWEZNQCLSA-N 348.449 2.252 30 50 EEEA COc1nccc(N2CC[C@@H](Cc3cccc(C(N)=O)c3)C2)c1C#N 72166396 QIKABIFOELMMJK-AWEZNQCLSA-N 336.395 2.130 30 50 EEEA N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccc(F)cc1C#N 164221935 HGMHHZHZLIRZNK-UHFFFAOYSA-N 340.314 2.171 30 50 EEEA CCS(=O)(=O)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 170628839 XARFQCAIWDVGRB-UHFFFAOYSA-N 344.392 2.217 30 50 EEEA C/N=C1\S[C@@H](CC(=O)Nc2ccc(OC(F)F)cc2)C(=O)N1C 12624252 VSHJUQWQJTVCPD-PXAAABLISA-N 343.355 2.176 30 50 EEEA O=C1CS/C(=N\N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1 18100289 ICQQLPPUDJKJHK-VIZOYTHASA-N 330.325 2.408 30 50 EEEA CC(=O)N1CCN(Cc2cccc(-c3ccc(C#N)c(N)c3)c2)CC1 1875291814 MJHAIMMEZZEODA-UHFFFAOYSA-N 334.423 2.472 30 50 EEEA CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C#N)C1 6743673 RYOHNWYHVZYKQN-HNNXBMFYSA-N 349.456 2.339 30 50 EEEA CC(=O)Nc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1 65374554 OEXPKPXMVDEKAC-UHFFFAOYSA-N 335.411 2.234 30 50 EEEA CC(C)(C(=O)N[C@H](C#N)c1ccccc1Cl)S(=O)(=O)C1CC1 252489183 JJDFEYGHNJPPSU-CYBMUJFWSA-N 340.832 2.377 30 50 EEEA C=CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 252517877 UDJNVYHVFDOHDD-ZNMIVQPWSA-N 325.474 2.427 30 50 EEEA N#C[C@@H]1CN(C(=O)c2ccccc2N2CCCCC2)CCN1C1CC1 369303242 WTRCSZBZLBGGMO-QGZVFWFLSA-N 338.455 2.489 30 50 EEEA COc1ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)cc1F 170612143 QRKGYZKXEOCRGX-UHFFFAOYSA-N 340.298 2.301 30 50 EEEA C#Cc1cccc(N(Cc2ccncc2)C(=O)C2CN(C(C)=O)C2)c1 193547822 CFZFCCZCAIGVAJ-UHFFFAOYSA-N 333.391 2.074 30 50 EEEA C=CCNC(=O)[C@H]1C[C@@H](C(=O)OC)N(C)[C@H]1c1cccc(Cl)c1 15068514 JRPDGLHAYSKPTE-KKUMJFAQSA-N 336.819 2.177 30 50 EEEA Cc1noc([C@@H](NC(O)=Nc2ccc(F)cn2)C2CCOCC2)n1 328625750 KYNUVDWXAJPCCU-ZDUSSCGKSA-N 335.339 2.215 30 50 EEEA N#CC1(C2CCC2)CCN(C(=O)[C@H](Cc2ccsc2)NC=O)CC1 1875322520 VRDIYPYALPYTBK-INIZCTEOSA-N 345.468 2.338 30 50 EEEA N#Cc1cccc(N2CCN(CC3CCCCC3)[C@@H](CCO)C2)n1 106991307 NMFMUNUWVXWZTM-SFHVURJKSA-N 328.460 2.407 30 50 EEEA Cc1nc(CN2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)oc1C 175630546 NMHMVMBXUQINDE-UHFFFAOYSA-N 341.415 2.133 30 50 EEEA C=CCN1C[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2)CC1=O 820474861 OHLISKIIHIBWNI-LBPRGKRZSA-N 326.318 2.356 30 50 EEEA Cc1nc(NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)c(Cl)cc1C#N 685940467 BFWWYDALYWIIQC-ZKYQVNSYSA-N 346.822 2.010 30 50 EEEA CN(/C(O)=N/C[C@H]1CC(=O)N(C2CC2)C1)C1CCC(F)(F)CC1 329587745 YVMHCCWLWJSNQA-LLVKDONJSA-N 329.391 2.421 30 50 EEEA N#Cc1ccc(NC(=O)CN2CC[C@@H](c3ncccn3)C2)cc1Cl 952993515 OBHLQAMSAVFPOE-CYBMUJFWSA-N 341.802 2.430 30 50 EEEA C#CCCC1(CCNC(=O)c2cc3c(o2)C(C)(C)CCNC3=O)N=N1 1875381094 KFXJOOZNUGLDKP-UHFFFAOYSA-N 342.399 2.386 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 445035 IQELZRDKKXKPMK-UHFFFAOYSA-N 337.375 2.468 30 50 EEEA N#Cc1ccc([C@H](NCc2ccc(N3CCCC3=O)cc2)C(N)=O)cc1 115595867 HPYSTCUOBDXEIL-IBGZPJMESA-N 348.406 2.001 30 50 EEEA Cc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)ccc1C#N 348259706 ADVVSMSYZWGVRL-RDJZCZTQSA-N 325.343 2.349 30 50 EEEA CCOc1ccc([C@@H]2CCCN2C(=O)Cn2cnc(C#N)c2C#N)cc1 126189998 KOQDIAAXCLBBGR-KRWDZBQOSA-N 349.394 2.389 30 50 EEEA CCn1cnnc1[C@H]1CN(/C(O)=N/[C@H](C)c2ccccc2)CCO1 328586520 CFGSDEXWZJIJNQ-UKRRQHHQSA-N 329.404 2.347 30 50 EEEA Cn1cncc1[C@@H](O)/C(O)=N/CC(O)=Nc1cccc2cccnc12 328592148 AWGHKGKDJBDPRG-MRXNPFEDSA-N 339.355 2.246 30 50 EEEA C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 242048174 VTLLHTXVLHZVGK-BZUAXINKSA-N 346.500 2.330 30 50 EEEA N/C(=N/Cc1ccnc(Oc2ccc(F)cc2)c1)N1CCOCC1 242273580 YECHQBCSVZUUDD-UHFFFAOYSA-N 330.363 2.160 30 50 EEEA N#Cc1ccccc1N1CCN(Cc2nc(-c3ccco3)no2)CC1=O 91575092 HEJDFXRCAGOZLV-UHFFFAOYSA-N 349.350 2.050 30 50 EEEA CN(C)[C@@H](CNC(=O)c1ccc(C#CC(C)(C)O)o1)c1ccco1 952972091 ZHJWVOQGDDHZAJ-AWEZNQCLSA-N 330.384 2.028 30 50 EEEA C=CCn1nns/c1=N/CC(=O)Nc1cccc(C(F)(F)F)c1 4531316 QWHDQBCONDNZSQ-SFQUDFHCSA-N 343.334 2.084 30 50 EEEA CC(C)(C)c1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)O)S2)cc1 5061311 JFDDJSKMDIURAZ-UDPFGDFPSA-N 333.413 2.380 30 50 EEEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)Nc1ccccn1 328628252 HBUSGCXLKGSYAG-RYUDHWBXSA-N 335.408 2.477 30 50 EEEA Cn1cncc1[C@@H]1C[C@@H](N/C(O)=N/CCOC2CCCC2)CCO1 328620932 HLECLBZHWQWYDP-BBRMVZONSA-N 336.436 2.103 30 50 EEEA Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(C#N)cc3C)CC2)n1 122139869 KZEPLGSHOISFNY-ZDUSSCGKSA-N 339.399 2.077 30 50 EEEA N#Cc1cnccc1N1CC[C@H](c2cc(O)nc(N3CCCC3)n2)C1 864314537 OEDRRLSWSFMHLU-ZDUSSCGKSA-N 336.399 2.043 30 50 EEEA CCOc1ccc(NC(=O)C[C@@H]2S/C(=N/CC3CC3)NC2=O)cc1 887268688 RSPQNUFXXMNUSY-AWEZNQCLSA-N 347.440 2.412 30 50 EEEA C#CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2)c2ccccc21 2902278 FQEGTMPPWZJHSU-HXUWFJFHSA-N 335.359 2.136 30 50 EEEA COc1cc([C@H]2CC(=O)C=C(O)[C@H]2n2cncn2)cc(OC)c1OC 1390419 JPWCYIYURVIJFX-WBMJQRKESA-N 345.355 2.044 30 50 EEEA Cc1sc2nc([C@H](C#N)C(=O)NCc3ccco3)[nH]c(=O)c2c1C 122064845 LPGNXXLNTKOIGI-NSHDSACASA-N 342.380 2.118 30 50 EEEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@H]1CCCC[C@@]1(O3)O[C@@H]2c1ccncc1 137718629 GICZAEKCMQBQEG-BSPHMWTBSA-N 333.351 2.479 30 50 EEEA CN(C)C[C@@H](O)COc1ccc(CN2CCC(C)(C#N)CC2)cc1 95500228 RAQXDQQUTQSBLA-QGZVFWFLSA-N 331.460 2.114 30 50 EEEA CC1(C)CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)[C@H]1C#N 278078536 XPHCBDQQLICESL-ROUUACIJSA-N 341.455 2.428 30 50 EEEA CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1C[C@@H]1CCOC1 159499137 NZNZEUIQUXHIER-INIZCTEOSA-N 339.399 2.455 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1 381138 QEXTVQZMDFSGFG-DZGCQCFKSA-N 346.339 2.058 30 50 EEEA C=CC[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2OC)C1 91365235 NTQOVTALYBSPQL-INIZCTEOSA-N 325.430 2.035 30 50 EEEA O=[N+]([O-])c1ccc(/C=N/c2ccc(N(CCO)CCO)cc2)cc1 2164985 JFWPEGIUZVSGJG-QGOAFFKASA-N 329.356 2.136 30 50 EEEA Cc1cncc(C(=O)N2CCCN(C(=O)c3cccc(C#N)c3)CC2)c1 1704324955 ICUIMYQVSREMPV-UHFFFAOYSA-N 348.406 2.250 30 50 EEEA CO[C@@H]1C[C@H](c2nc(C)no2)N(CCOc2cccc(C#N)c2)C1 328619357 FUAYKIZTXSKMIZ-HZPDHXFCSA-N 328.372 2.091 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)N=N1 952876281 KFBGQFDHQFPOKT-HZPDHXFCSA-N 344.459 2.102 30 50 EEEA CN(C(=O)CN1CCC[C@]2(CCCCO2)[C@@H]1C#N)c1nccs1 225729919 XGRDZYDTPADKIE-XJKSGUPXSA-N 334.445 2.033 30 50 EEEA N#Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1 253395541 WCHAZWVHQVUUON-WBVHZDCISA-N 346.383 2.194 30 50 EEEA Cc1noc([C@H](/N=C(/O)Nc2nc(C)c(C)o2)C2CCOCC2)n1 328645958 ZWDHVULNZYANIY-GFCCVEGCSA-N 335.364 2.477 30 50 EEEA C=CCOc1ccccc1CNC(=O)N[C@H]1CCC(=O)NC12CCC2 241465955 NTIXYTYAXYGRSX-INIZCTEOSA-N 343.427 2.252 30 50 EEEA C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@H]1C(N)=O 408521992 BJQPYVHIEDUMEV-VXNVDRBHSA-N 326.169 2.017 30 50 EEEA N#Cc1cc(CN2CC[C@@]34O[C@H](c5ccccc5)CN3C(=O)C[C@@H]24)c[nH]1 1857727714 YTHCZHRCVHONCF-NSHGMRRFSA-N 348.406 2.161 30 50 EEEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1cccc2c1OCO2 328638836 WOKPUZHWNYBEFE-WFASDCNBSA-N 329.356 2.467 30 50 EEEA CN1CCC[C@@]2(CCN(Cc3ccc(C#CC(C)(C)O)s3)C2)C1=O 67866978 FUBJJONILRBXGQ-IBGZPJMESA-N 346.496 2.315 30 50 EEEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/CC[C@@H]1CCCO1 328625950 LEXPSTQSNSWYGL-BZSNNMDCSA-N 346.475 2.489 30 50 EEEA CN(C)CC/N=C(/O)Nc1ccc(Cl)c(F)c1N1CCOCC1 330437987 NIQNOJLTOWSORI-UHFFFAOYSA-N 344.818 2.203 30 50 EEEA Cc1cc(C)n2c(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)cnc2n1 367782744 UNUBVHZCPYTKFJ-KRWDZBQOSA-N 348.410 2.266 30 50 EEEA C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1ccnc(C#N)c1 1875365353 BQMHNJHDCTWSOO-LBPRGKRZSA-N 333.351 2.364 30 50 EEEA C/C(=N\NC(=N)S[C@H]1CC(=O)N(C)C1=O)c1ccc(Cl)cc1 100512802 MSFDZIPEHKGAJU-CPWFCVNUSA-N 338.820 2.079 30 50 EEEA Cc1nc(CN2CCC[C@H](N=c3c(C#N)c[nH]c4ccccc34)C2)no1 371078941 WSSLKYGDDYWMQN-HNNXBMFYSA-N 348.410 2.296 30 50 EEEA CCC[C@@H]1CN(c2nc(C)c(C(=O)OC)cc2C#N)C[C@H]1N(C)C 82136837 UNSPFPGBWNWXKV-CZUORRHYSA-N 330.432 2.215 30 50 EEEA N/C(=N/c1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1C(F)(F)F 13110649 XFKHVPWQAXWFGS-UHFFFAOYSA-N 337.305 2.336 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@](CO)(Cc2ccccc2)C1 365688958 RFNFLSKROYURRN-FQEVSTJZSA-N 337.423 2.354 30 50 EEEA CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)c1cccc(SCC#N)c1 241862520 SQVAWMOCFPKNDO-DZGCQCFKSA-N 336.457 2.190 30 50 EEEA Cc1cccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c1C#N 181147244 AENBEMQYWFGODU-UHFFFAOYSA-N 346.412 2.216 30 50 EEEA C=CCc1ccc(OCCOCCN2CCN(C)CC2)c(OC)c1 19370298 TVFZGSMNWCEWPJ-UHFFFAOYSA-N 334.460 2.067 30 50 EEEA C=CCCC(=O)N[C@H]1CC[C@@H](n2cc(C(=O)NCC(C)C)nn2)CC1 257372030 JMWJHVTXUQCUBH-GASCZTMLSA-N 347.463 2.230 30 50 EEEA C#CCCC1(CCC(=O)N=c2ccn(CCc3ccccn3)[nH]2)N=N1 2325892695 XERUBNQWJUYWOC-UHFFFAOYSA-N 336.399 2.237 30 50 EEEA C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CCN1C 121936686 DLKYXBSGVLZVEF-RYUDHWBXSA-N 341.864 2.315 30 50 EEEA CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccnc2C#N)C12CCCC2 328587610 CWGFWEUDPIXHOP-JKSUJKDBSA-N 349.456 2.312 30 50 EEEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cc(C#CCO)cs1 71497857 JEWZVHSWZHVMIR-UHFFFAOYSA-N 349.419 2.317 30 50 EEEA Cc1nc([C@@H](C)NC(=O)N2CCn3nc(C#N)cc3C2)c(C)s1 426662425 ZMPLYFXVZSNQKC-SECBINFHSA-N 330.417 2.115 30 50 EEEA COc1cc(C#N)ccc1OCCN1CCCC[C@H]1c1nc[nH]n1 121843399 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335.452 2.240 30 50 EEEA O=C(C#Cc1ccc2c(c1)OCO2)N1CCOC[C@H]1c1ccccc1 372011274 AYIJQRWWEYDDHT-KRWDZBQOSA-N 335.359 2.367 30 50 EEEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3ccc(Cl)c(Cl)c3)[C@@H]2C1 334158652 ZKIMDSJVNKXMKF-NXEZZACHSA-P 338.261 2.411 30 50 EEEA N#Cc1cc(F)cc(C(=O)NC[C@@H]2CC(=O)N(C3CCCC3)C2)c1 826768253 SCKIGJQIRYHFSC-ZDUSSCGKSA-N 329.375 2.218 30 50 EEEA CCOc1ccc(C(=O)O/N=C(\N)c2cccnc2)cc1OCC 5013696 VLPZKMOJGLFANM-UHFFFAOYSA-N 329.356 2.356 30 50 EEEA CCOC(=O)[C@H]1CCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1=O 1772575835 OYIYCQKFADGIJL-AWEZNQCLSA-N 344.216 2.294 30 50 EEEA C=CCOc1ccccc1CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 14888540 UCZBZRQHLPYPKZ-IBGZPJMESA-N 343.427 2.062 30 50 EEEA C=C(C)Cn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCC3 102955 SOCBSRYDHPGWKY-UHFFFAOYSA-N 335.454 2.100 30 50 EEEA C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N 245803061 AZNUOEUDMDQJHN-FVQBIDKESA-N 325.412 2.410 30 50 EEEA Cc1ncc(/C=C/C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)s1 114988698 BMRIKCMEFGTAPS-AATRIKPKSA-N 347.421 2.150 30 50 EEEA N#Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccn1 348252345 BKJDNIOSMKIXFI-CZUORRHYSA-N 329.306 2.180 30 50 EEEA COCCCN1C[C@]2(CCCN(c3cccc(C#N)n3)C2)CCC1=O 72433415 WQMBKTYHIZMJCW-LJQANCHMSA-N 342.443 2.199 30 50 EEEA C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 168972713 LSNMWEDSBKMRCC-YGRLFVJLSA-N 327.837 2.102 30 50 EEEA Cc1cc(N2CCCO[C@@H](C)C2)c(C#N)c(N2CCCO[C@H](C)C2)n1 408518662 SPEUQSVHXWALBG-JKSUJKDBSA-N 344.459 2.492 30 50 EEEA CN(C)Cc1cc(O[C@H]2CCN(C[C@@H](C#N)CCC#N)C2)ccn1 886068633 DTJXBQNVGQFPJG-QAPCUYQASA-N 327.432 2.040 30 50 EEEA C=CCCc1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 225713160 VXPZXNNBLOLMCF-UHFFFAOYSA-N 336.457 2.415 30 50 EEEA COC(=O)[C@@H]1C(=O)/C(=C(\C)Nc2ccccc2O)C(=O)CC1(C)C 100281819 SMRHUUSBENNFAB-IPJDOKCGSA-N 331.368 2.435 30 50 EEEA O=C(C/N=C(/O)CCC1CCCC1)N1CC[C@@H](N2CCCC2=O)C1 330144447 KQLXIBDRXXEFPG-OAHLLOKOSA-N 335.448 2.137 30 50 EEEA Cc1cccc(/C(O)=N/[C@H](C)C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)c1 331172073 ZTFXZJNYRLQQFV-MELADBBJSA-N 336.457 2.056 30 50 EEEA CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)c1cccc(SCC#N)c1 241862523 SQVAWMOCFPKNDO-ZFWWWQNUSA-N 336.457 2.190 30 50 EEEA Cc1ccc(S(=O)(=O)[C@]23[C@@H]4[C@@H]5[C@H]6C[C@@H]([C@@H]52)[C@]25O[C@@]62[C@H]4C[C@H]53)cc1 257356597 JEIWOWPLNLFESU-MOZPALDCSA-N 326.417 2.191 30 50 EEEA O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1ccncc1 5998121 ZEWXQDLDMWAIJE-CXUHLZMHSA-N 326.341 2.419 30 50 EEEA O=C(O)COc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 6299138 CMVCSRJBNCPMDY-LICLKQGHSA-N 335.429 2.281 30 50 EEEA C#CCCC1(CCNC(=O)CCc2nnc(-c3ccccn3)o2)N=N1 2325900932 OAKRDTSRQPATDT-UHFFFAOYSA-N 338.371 2.146 30 50 EEEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/CC[C@H]1CCCO1 328625951 LEXPSTQSNSWYGL-KSZLIROESA-N 346.475 2.489 30 50 EEEA Cc1nc(C)c(C)c(N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1 253392198 FZWFJNHMVXFGLO-AUUYWEPGSA-N 333.395 2.252 30 50 EEEA Cc1ccc(N=C(O)N[C@@H](c2nc(C)no2)C2CCOCC2)nc1 328615249 ASECWIZKLPSQHZ-CQSZACIVSA-N 331.376 2.384 30 50 EEEA CC(C)c1nnc([C@H]2CN(C(O)=Nc3ccc(F)cn3)CCO2)o1 328629549 OYTFLCXIMXOWNV-LLVKDONJSA-N 335.339 2.346 30 50 EEEA C#CCCC1(CCC(=O)N(C)[C@@H]2CCN(c3ccncc3)C2)N=N1 2325892858 KQXPCWWCFDBTLU-MRXNPFEDSA-N 325.416 2.474 30 50 EEEA C#CCCC1(CCC(=O)N2C[C@@H](C3CC3)[C@@](F)(C(=O)OC)C2)N=N1 2325892965 XAFKNKOAMQMXNF-SUMWQHHRSA-N 335.379 2.092 30 50 EEEA C[C@@H]1OCC[C@@]1(C)/N=C(/O)CCn1c(=O)nc(O)c2ccccc21 329753784 KHGWGWHISNCDRA-APPDUMDISA-N 331.372 2.016 30 50 EEEA Cc1nc(C)c(C)c(N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1 253392200 FZWFJNHMVXFGLO-KUHUBIRLSA-N 333.395 2.252 30 50 EEEA CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(C#N)cc2)cc1 320412555 FNERCJLHZQEVQE-UHFFFAOYSA-N 329.381 2.342 30 50 EEEA C=CC[C@@]1(CO)CCCN(C2CCN(C(=O)c3ccccn3)CC2)C1 92097444 TXPBHMMPPLCMTB-HXUWFJFHSA-N 343.471 2.337 30 50 EEEA N#Cc1c(N)nc(SCC2N=CC=N2)c(C#N)c1-c1ccc(O)cc1 526061656 CNHBWPSCLIEOFE-UHFFFAOYSA-N 348.391 2.353 30 50 EEEA CC/N=C(/NCCn1cnnc1CC)N1CC[C@H](c2ccccc2)C1 86715882 KHKFVAYIFHKIQY-KRWDZBQOSA-N 340.475 2.296 30 50 EEEA Cc1noc([C@H]2C[C@@H](O)CN2Cc2ccccc2C(C)(C)C#N)n1 275354298 VGWOZNLAANRONB-GDBMZVCRSA-N 326.400 2.487 30 50 EEEA OCC#Cc1ccc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)s1 1529126308 ALXPAEICKPGAMT-RTBURBONSA-N 343.448 2.026 30 50 EEEA C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(N)cc1 5074053 JNFSMJSAMDPVSY-GZTJUZNOSA-N 348.384 2.188 30 50 EEEA C#CCCC1(CCNC(=O)CCc2ccc3c(n2)NCCC3)N=N1 2325891376 BWKUHZXZIPPNTQ-UHFFFAOYSA-N 325.416 2.454 30 50 EEEA C=C(C)C[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]12O3 4028905 IDZVBZRLNMBRMS-XZLOLGPPSA-N 325.364 2.392 30 50 EEEA biogenic CNS(=O)(=O)c1ccc(-c2cc(C3CCC3)nc(N)c2C#N)cc1 67983492 LRRKLUGKHKLLAH-UHFFFAOYSA-N 342.424 2.378 30 50 EEEA Cc1n[nH]c(C)c1[C@H]1COCCN1C(O)=Nc1cccc2c1OCO2 329434847 IOWVTELTIJXFEQ-CYBMUJFWSA-N 344.371 2.374 30 50 EEEA CCCc1n(CC(=O)OCC)c2ccccc2[n+]1CC(=O)OCC 5567986 WSKLRYISQKMCOB-UHFFFAOYSA-N 333.408 2.008 30 50 EEEA C=C(CNC(=O)N1CC[C@@H](c2cc(O)nc(O)n2)C1)c1ccccc1 1775993626 SRGICCWFKNLZEH-CQSZACIVSA-N 340.383 2.100 30 50 EEEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CCNS(C)(=O)=O 55041994 CQDDVHJFHFEYJT-SJORKVTESA-N 348.468 2.400 30 50 EEEA CCN(CC(=O)O)C1CC(/N=C(/O)Cc2noc3ccccc23)C1 328620722 AAPVXHYOBVSQOZ-UHFFFAOYSA-N 331.372 2.264 30 50 EEEA COc1ccc(C(=O)O)c(NS(=O)(=O)c2ccccc2CC#N)c1 355828439 FQDSFCHTBQFEPP-UHFFFAOYSA-N 346.364 2.260 30 50 EEEA CC[C@@H](Cn1ccnc1)NC(=O)c1ccc(C#CC(C)(C)O)cc1 217425463 CNQZWRSYNNAQNZ-KRWDZBQOSA-N 325.412 2.214 30 50 EEEA Cc1c(CCC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cnn1C 374366124 NAQGQIMIAQLXSN-GOSISDBHSA-N 338.411 2.133 30 50 EEEA N#C[C@@H](CO)Cc1cc(-c2ccc3c(c2)C(=O)NCCO3)ccc1F 904856910 KPXUCYKKNKQRLI-LBPRGKRZSA-N 340.354 2.289 30 50 EEEA CC#CC(=O)NCc1ccc2c(c1)OCCN2C(=O)OC(C)(C)C 1875370492 QSTJHBUYDFSXNM-UHFFFAOYSA-N 330.384 2.460 30 50 EEEA Cc1n[nH]c(C)c1[C@@H]1COCCN1C(O)=Nc1cccc2c1OCO2 329434850 IOWVTELTIJXFEQ-ZDUSSCGKSA-N 344.371 2.374 30 50 EEEA Cc1nn(C)c2cc(N=C(O)N3CCOC[C@@H]3[C@@H]3CCCO3)ccc12 329841695 WVWRKAHKCITECV-SJORKVTESA-N 344.415 2.307 30 50 EEEA CCS[C@@H]1CCC[C@H](/N=C(/O)N2CCS(=O)(=O)CC[C@@H]2C)C1 328596746 XXCNWWYUQNOYLE-MELADBBJSA-N 348.534 2.474 30 50 EEEA N#Cc1ccc(O[C@H]2CCN(Cc3cnnn3-c3ccccc3)C2)nc1 366372809 VJMGYWFISAKNBS-SFHVURJKSA-N 346.394 2.187 30 50 EEEA N#Cc1ccc(OC2CN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C2)cc1 130485097 BVAURQCPHYTUNA-QGZVFWFLSA-N 347.374 2.274 30 50 EEEA N#Cc1cncc(CNS(=O)(=O)C[C@H]2CCCC(F)(F)C2)c1 1365739128 BJEZEDSLGMVRHG-NSHDSACASA-N 329.372 2.198 30 50 EEEA Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@@H]1COc2ccccc2C1 328618260 DMWUFCISHMJYDL-JJRVBVJISA-N 327.384 2.458 30 50 EEEA CCc1noc([C@H]2C[C@H](O)CN2c2ncc(Cl)c(C)c2C#N)n1 373641015 AIDZILGILGPJHU-JOYOIKCWSA-N 333.779 2.173 30 50 EEEA N#Cc1ccccc1CN1CCC[C@H]1C(=O)NCC1CCOCC1 374374322 WALDLWHEBITVOQ-SFHVURJKSA-N 327.428 2.065 30 50 EEEA C[C@H](CN(C)C(=O)c1nccc2[nH]ccc12)Nc1ncccc1C#N 1120725473 PZYMPXFCSZXRIY-GFCCVEGCSA-N 334.383 2.402 30 50 EEEA N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](c2ccncc2)CC1 952992405 MFICIQOYPYQFED-QGZVFWFLSA-N 339.443 2.307 30 50 EEEA C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 4005945 SJTKZGOTDFJUKA-CABCVRRESA-N 329.356 2.418 30 50 EEEA CCOC(=O)COc1c(/C=N\OC)cc(Br)cc1OC 5195565 FGKJWMZVBFTWHT-CHHVJCJISA-N 346.177 2.380 30 50 EEEA COC(=O)c1ccc(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)s1 170609241 ZQOSJCNDJIUDOS-UHFFFAOYSA-N 340.426 2.134 30 50 EEEA OC(=Nc1cc(Cl)c(Cl)cn1)N1CC[C@@H](N2CCOCC2)C1 328594454 LDJOMXCYJUOYLD-SNVBAGLBSA-N 345.230 2.340 30 50 EEEA O/C(C[C@H]1C[C@H]2CC[C@H]1C2)=N/CCN1CCN(c2ncccn2)CC1 328809128 AFDUCSCCQSLWFJ-YESZJQIVSA-N 343.475 2.381 30 50 EEEA Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2c[nH]c(C#N)c2)cc1 181333962 SBMJZZWCRTYFLT-OAHLLOKOSA-N 340.408 2.349 30 50 EEEA C#CCOc1ccc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1 295689824 QDSXLNYCQAILDI-OAHLLOKOSA-N 342.439 2.452 30 50 EEEA CC(C)(O)C#Cc1cccc(C(=O)N2CC(N3CCCCC3)C2)c1 952986971 CNFADLAVTAHEIW-UHFFFAOYSA-N 326.440 2.119 30 50 EEEA C[C@H](C(=O)N(C)CCC#N)N1CCO[C@@H](c2ccc(Cl)cc2)C1 249712290 FRVIKRXZTWPNKD-CZUORRHYSA-N 335.835 2.474 30 50 EEEA 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2.326 30 50 EEEA C#CCCC1(CCC(=O)NC[C@@]2(c3ccccc3)COCCO2)N=N1 2325886888 MXGFFSWFJNKLNR-SFHVURJKSA-N 341.411 2.401 30 50 EEEA N#Cc1nc(-c2ccccc2F)oc1NCCCN1CCOCC1 20150158 AWMLYEKVUQVTLQ-UHFFFAOYSA-N 330.363 2.487 30 50 EEEA CN(C)c1ccnc(N=C(O)N2CCC[C@H]2C[C@@H](O)c2ccco2)n1 328587586 CDTOSYWQPRBDCJ-QWHCGFSZSA-N 345.403 2.269 30 50 EEEA COC(=O)[C@@H]1CN(CCCCCC/N=C(/O)OC(C)(C)C)CCO1 328596027 OIWMWFZNEHEFLE-AWEZNQCLSA-N 344.452 2.150 30 50 EEEA COc1ccc(C2CC(=O)C(=CN(C)C)C(=O)C2)c(OC)c1OC 95117701 MHFRTSFWPQHLTC-UHFFFAOYSA-N 333.384 2.174 30 50 EEEA COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(C#N)cc2F)cc1 194683924 OACXGVWFXIROHF-UHFFFAOYSA-N 348.355 2.426 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)N=N1 952883171 XGXBFHMNPWIUHP-OAHLLOKOSA-N 340.431 2.226 30 50 EEEA CCOc1cc(/C=N/Nc2ccc(S(=O)(=O)O)cc2)ccc1O 4952935 WJMISLXFLYIFIY-MHWRWJLKSA-N 336.369 2.484 30 50 EEEA CC(C)c1nnc([C@@H]2CN(C(=O)c3sccc3C#N)CCO2)o1 328610925 JQJAFJVLJFSPPM-NSHDSACASA-N 332.385 2.340 30 50 EEEA C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CCN1C 121936376 DLKYXBSGVLZVEF-NWDGAFQWSA-N 341.864 2.315 30 50 EEEA CN(/C(N)=N/C[C@@H](c1cccc(Cl)c1)N1CCOCC1)C1CC1 241383531 MWBXYXBPJYFLEP-INIZCTEOSA-N 336.867 2.122 30 50 EEEA N#Cc1cccnc1N1CCN(Cc2cccc3cc[nH]c23)C[C@H](O)C1 225344876 DQIMDCIJYCDTFG-SFHVURJKSA-N 347.422 2.118 30 50 EEEA C[C@H](SCc1nc(O)c2ccccc2n1)C(=O)N1CC[C@H](C#N)C1 1875268078 NNYJQBAXZUNMIN-NWDGAFQWSA-N 342.424 2.329 30 50 EEEA C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(Cl)c2C#N)CCN1C 121936226 DLKYXBSGVLZVEF-VXGBXAGGSA-N 341.864 2.315 30 50 EEEA O=S1(=O)CCCN(/C(O)=N/[C@H]2CCc3c(Cl)cccc32)CC1 329024086 UTPVFYIGVXCPDO-AWEZNQCLSA-N 342.848 2.362 30 50 EEEA CNc1nc(-c2cccc(C(=O)N3CCC[C@@H](C#N)C3)c2)ncc1F 426477531 HTQKNZDNSPSULS-LBPRGKRZSA-N 339.374 2.700 30 50 EEEA C=CC[C@]1(CO)CCCN(C(=O)CN(C)Cc2ccc(F)cc2)C1 91364885 DQNPRLXSEWYUIN-IBGZPJMESA-N 334.435 2.435 30 50 EEEA N#Cc1cnc(NC[C@H](CO)Cc2cccc(Br)c2)cn1 277233467 TWOQQGOBUNSDHT-GFCCVEGCSA-N 347.216 2.374 30 50 EEEA CCN(CCCN(C)C)S(=O)(=O)c1cc(C#N)ccc1Cl 170606254 XDAJVMVZCDVHEM-UHFFFAOYSA-N 329.853 2.174 30 50 EEEA N#CCN1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 19361936 MTTNAOBRLSUTDB-QGZVFWFLSA-N 348.450 2.297 30 50 EEEA C=C(CC)Cn1cc(-c2csc([C@@H]3CCS(=O)(=O)C3)n2)nn1 887538416 HYEWCIWGAVFTCF-LLVKDONJSA-N 338.458 2.270 30 50 EEEA C#CCCC1(CCC(=O)NCC2CCN(c3nncs3)CC2)N=N1 2325898613 NZBSDDSYQAWGGD-UHFFFAOYSA-N 346.460 2.226 30 50 EEEA Cc1cc(C#N)nc(N2CCC(NC(=O)c3ccccc3C)CC2)n1 280958890 KRPGPNXFWYVAIM-UHFFFAOYSA-N 335.411 2.364 30 50 EEEA N#CC1(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CCOCC1 136444332 ZQOGJVLBYHJOAD-KRWDZBQOSA-N 346.402 2.418 30 50 EEEA C#Cc1cccc(NC(=O)CNC(=O)CCCc2nccs2)c1 252504470 VJBISWIAZJJLRF-UHFFFAOYSA-N 327.409 2.202 30 50 EEEA N#CCN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccccc1 230258630 GNLXTPXOQBHTDM-MSOLQXFVSA-N 327.428 2.182 30 50 EEEA CCOC(=O)[C@H]1[C@@H](C)C=C[C@H]2CN(C(=O)c3ccc(C#N)nc3)C[C@H]12 1857701642 SDODWFFBZIZZPN-CSFVBSKPSA-N 339.395 2.027 30 50 EEEA N#C[C@H]1CN(Cc2ccc(Oc3cnccn3)cc2)CCN1C1CC1 371328695 YAIKXDNKEYACTN-KRWDZBQOSA-N 335.411 2.441 30 50 EEEA C=C1CCC(C(=O)NCC2(NC(=O)c3ccnnc3)CCCC2)CC1 1704704789 ZTUAXYYPGKYDNA-UHFFFAOYSA-N 342.443 2.382 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(C(=O)C3CC3)CC2(C)C)N=N1 952879764 ATJALIBQFKHMTE-UHFFFAOYSA-N 330.432 2.202 30 50 EEEA N#Cc1cncc(N2C[C@@H](O)C[C@H]2c2ccc(Br)cc2)n1 1875288167 QABXPOMZIHYKAG-KBPBESRZSA-N 345.200 2.423 30 50 EEEA C#CCN(CC=C)C(=O)c1cc2n(n1)CCN(Cc1ccccc1)C2 65503218 KPVTUGONPVOUDS-UHFFFAOYSA-N 334.423 2.160 30 50 EEEA C=CCN1CC[C@H](N(C)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)C1=O 253425318 CHROXKZECUJAOA-WFASDCNBSA-N 331.420 2.105 30 50 EEEA C#CC[C@@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccn1 155962628 GIBCABVFHVVLNW-MAUKXSAKSA-N 349.390 2.133 30 50 EEEA Cn1cc(C#N)c(NC(=O)[C@H]2CCN(c3ccccc3Cl)C2)n1 291461031 JMXCJOURIPJBMV-NSHDSACASA-N 329.791 2.410 30 50 EEEA Cc1ccc([C@@H](C(=O)O)N2CCCn3nc(C#N)cc3C2)cc1F 1506426388 HTCXVYWVLOADGL-INIZCTEOSA-N 328.347 2.234 30 50 EEEA COc1cc(C#N)ccc1OCCN1C[C@H](OC)C[C@@H]1c1ncc[nH]1 888079345 YNJHSESTVCQPTF-HUUCEWRRSA-N 342.399 2.131 30 50 EEEA N#C[C@]1(CO)CC12CCN(C(=O)NC1(C(F)(F)F)CCC1)CC2 2325781591 LJSBNYRNOYAMSY-ZDUSSCGKSA-N 331.338 2.169 30 50 EEEA Cn1c(=O)n(C)c2cc(CN3CC(c4ccc(C#N)cc4)C3)ccc21 2325819207 JCXDPRRSHJWOKU-UHFFFAOYSA-N 332.407 2.348 30 50 EEEA C=CCOc1c(Br)cc(CNC[C@@H](C)O)cc1OC 2178122 UUZWKXXQNBJPJN-SNVBAGLBSA-N 330.222 2.493 30 50 EEEA C#CC(C)(C)OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 12381140 GJZJNQIJXPNWSL-KRWDZBQOSA-N 336.863 2.251 30 50 EEEA Cc1nc(C)c(/C(O)=N/[C@H]2CCCN(c3nccnc3O)C2)s1 328625525 DFMCYVOQYAEOEO-NSHDSACASA-N 333.417 2.229 30 50 EEEA N#CC1(NC(=O)CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)CCCCC1 281579771 DTYNYXDRKMAGQI-IRXDYDNUSA-N 345.418 2.276 30 50 EEEA C=CCNc1ncnc2c1CCN(C(=O)COc1ccccc1)CC2 72431480 VFHOAGNVPBCRRI-UHFFFAOYSA-N 338.411 2.081 30 50 EEEA CCCc1cc(C(=O)N2CCN(c3cccc(C#N)c3)CC2)n(C)n1 82116323 ZZRGJZQEBXOOMA-UHFFFAOYSA-N 337.427 2.207 30 50 EEEA 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Cc1nc(CN(C)[C@@H]2CCCN(C(O)=Nc3cccnc3)CC2)no1 328621479 ANNJREPNAOVFTN-OAHLLOKOSA-N 344.419 2.305 30 50 EEEA Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 370983957 DFQOMYHOAVUINV-MRXNPFEDSA-N 338.386 2.495 30 50 EEEA O=C(c1ccco1)N1CCC[C@@H](NCc2cc(C#CCO)cs2)C1 952979197 ZLIZZGARJLGBPE-OAHLLOKOSA-N 344.436 2.079 30 50 EEEA C=C(C)CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 189577446 IFEQESXBNCECHA-UHFFFAOYSA-N 340.420 2.382 30 50 EEEA Cc1nonc1CNC(=O)c1cccc(CNc2ncccc2C#N)c1 1644816162 NENPFSHDHJAVII-UHFFFAOYSA-N 348.366 2.187 30 50 EEEA CCCS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 200404244 VRLLYXAEDXHSBK-UHFFFAOYSA-N 325.239 2.138 30 50 EEEA Cc1cc(S(=O)(=O)N(C)[C@@H](CC(C)(C)C)C(=O)O)ccc1C#N 281757509 FXXZTZVDLYEALU-AWEZNQCLSA-N 338.429 2.377 30 50 EEEA Cn1cncc1[C@@H]1C[C@H](/N=C(/O)c2ccn3cncc3c2)CCO1 328642829 YNKSJCRFXNUTOV-CJNGLKHVSA-N 325.372 2.293 30 50 EEEA N#C[C@@H]1CN(C(=O)c2ccc(OCC3CC3)cc2)CCN1C1CC1 370991826 LPPVGTMQPBOMDO-QGZVFWFLSA-N 325.412 2.288 30 50 EEEA CCCc1ccc(S(=O)(=O)N/N=C\c2ccc(O)c(O)c2)cc1 32575676 FUFRYJXGOHMTPO-BOPFTXTBSA-N 334.397 2.363 30 50 EEEA N#CCc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 4706287 RQKHLSGJGSNWLB-UHFFFAOYSA-N 330.365 2.325 30 50 EEEA Cc1nccc(N=C(O)N2CCCN(C(=O)c3ccsc3)CC2)n1 330139826 WPAOHTUNRNLMII-UHFFFAOYSA-N 345.428 2.240 30 50 EEEA C[C@H](NCc1ccnn1[C@@H]1CC1(F)F)C(=O)Nc1ccccc1C#N 1875281105 PPLNHOTYVIZVIW-XHDPSFHLSA-N 345.353 2.452 30 50 EEEA Cc1nc(N[C@@H]2CNCC[C@H]2C#N)c2cnn(-c3ccccc3)c2n1 1875306306 ZXENIKFYVVVNBY-XJKSGUPXSA-N 333.399 2.038 30 50 EEEA N#Cc1ccc(-n2ccc(=NC(=O)[C@H]3CC(=O)C34CCC4)[nH]2)c(F)c1 1875315634 BWJUSKOFAWUIAA-GFCCVEGCSA-N 338.342 2.003 30 50 EEEA C[C@H](O)[C@@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 248536950 HBPZFULAABZSQO-GRYCIOLGSA-N 333.457 2.138 30 50 EEEA CC1(C)OB(c2ccc(CS(C)(=O)=O)c(Cl)c2)OC1(C)C 170017327 UBTZHNKJBMUPHX-UHFFFAOYSA-N 330.642 2.184 30 50 EEEA N#Cc1cncc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 319671181 MWAMTGUUSISSLV-UHFFFAOYSA-N 337.744 2.106 30 50 EEEA CCc1ccsc1/C(O)=N/C1CCN([C@@H]2CCN(C)C2=O)CC1 329177896 MYGMVOFHESMSKQ-CQSZACIVSA-N 335.473 2.310 30 50 EEEA N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccccc1O 6025593 PJTXXBJEZXRNPS-PJMHOZITSA-N 344.758 2.091 30 50 EEEA Cn1cc([C@@H]2OCC[C@H]2/C=N/n2c(S)nnc2-c2ccco2)cn1 2325756800 CGLUJADKWVSTBY-VJUWEASZSA-N 344.400 2.172 30 50 EEEA COc1ccccc1[C@H]1C(C(C)=O)=C(O)C(=O)N1C[C@@H]1CCCO1 381131 BWYNYTLNIVQSCS-LRDDRELGSA-N 331.368 2.159 30 50 EEEA COCc1cc(C)n(CC(=O)Nc2cccc(C)c2C)c(=O)c1C#N 810864 PMVUYVYGGZJZJU-UHFFFAOYSA-N 339.395 2.430 30 50 EEEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)NCc1ccc(F)cc1 100421591 JPBQVXRJKPBQTD-ZDUSSCGKSA-N 344.386 2.221 30 50 EEEA C=CCNC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 247974573 FHPPARNASWIELB-DARAHFNDSA-N 340.379 2.064 30 50 EEEA C=CCN(Cc1nc2ccc(C)c(C)c2[nH]1)[C@H]1CCS(=O)(=O)C1 67947886 NSHJYLVMSWOAIF-AWEZNQCLSA-N 333.457 2.355 30 50 EEEA CCn1ccnc(N2CCC(/N=C(/O)[C@@H]3C[C@H]3C3CC3)CC2)c1=O 328621667 APZAITJIIGSIAW-LSDHHAIUSA-N 330.432 2.235 30 50 EEEA CN1CC(=O)OB(/C=C/c2ccc(-c3ccccc3)cc2)OC(=O)C1 169794887 GDCBRKXBDFJSIG-VAWYXSNFSA-N 335.168 2.426 30 50 EEEA C#CCCC1(CCC(=O)NCc2ccc(N3CCOCC3)cc2)N=N1 952883266 VOFVHXPMWWPRRD-UHFFFAOYSA-N 340.427 2.495 30 50 EEEA C#C[C@H](NC(=O)NCCCCn1cc(Br)cn1)C(C)C 225595264 PAKCJNBPCKJXJF-ZDUSSCGKSA-N 341.253 2.383 30 50 EEEA CC1(C)C[C@H](CN2CCN(c3ccccc3C#N)C(=O)C2)CCO1 82137629 CPTMEQULMYTALZ-OAHLLOKOSA-N 327.428 2.412 30 50 EEEA COc1cccc(C=NNc2nc3ccccc3n3cnnc23)c1O 252680110 WBDRUDFQAILJPA-UHFFFAOYSA-N 334.339 2.438 30 50 EEEA COc1cc(OC)cc(N2CC[C@H](Nc3nccnc3C#N)C2)c1 301494504 RUJKHCMIEBSUEF-LBPRGKRZSA-N 325.372 2.056 30 50 EEEA Cc1ccc(/C(N)=N/OC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 5059725 NBIHEOKUWKOQME-UHFFFAOYSA-N 329.312 2.146 30 50 EEEA CCC1(O)CN(c2cc([N+](=O)[O-])cc(Br)c2C#N)C1 1875289279 DIPVFZMUZLNHCP-UHFFFAOYSA-N 326.150 2.190 30 50 EEEA C=CCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[nH]c1=O 9096441 BYIXFABBIRMBAF-UHFFFAOYSA-N 340.427 2.142 30 50 EEEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](N(C)Cc1ccncc1C)C2 67677385 UFCCIPYFTYNWMR-OAHLLOKOSA-N 340.427 2.460 30 50 EEEA Cn1cc(/C(O)=N/Cc2nc3ccccc3[nH]2)c([C@H]2CCOC2)n1 328626534 LVBOKCGFUVSCTR-NSHDSACASA-N 325.372 2.305 30 50 EEEA CC(C)CC(=O)N1CCC(/N=C(/O)N[C@@]2(C)CCCOC2)CC1 329146756 OOTISTAUVMGMPY-KRWDZBQOSA-N 325.453 2.096 30 50 EEEA Cn1c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)nnc1C1CCC1 366422506 FCXPFBCMFHMQTI-HNNXBMFYSA-N 338.415 2.003 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 253394552 GSDOVTMDGJEABN-HOTGVXAUSA-N 346.383 2.194 30 50 EEEA N#Cc1cccc2c1CCN(S(=O)(=O)c1csc(C(=O)O)c1)C2 1875263639 XCFPOTMUGPXGQI-UHFFFAOYSA-N 348.405 2.065 30 50 EEEA CCn1cnnc1[C@@H]1CN(/C(O)=N/[C@H](C)c2ccccc2)CCO1 328586519 CFGSDEXWZJIJNQ-HIFRSBDPSA-N 329.404 2.347 30 50 EEEA N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC=C(F)C2)c1 364967279 BCUSRCQARYLBCA-INIZCTEOSA-N 327.359 2.135 30 50 EEEA CC[C@H]1CN2CCC[C@@H]2CN1C(=O)NCCc1cccc(C#N)c1 374273989 PCSDAMNLABNIIU-ZWKOTPCHSA-N 326.444 2.369 30 50 EEEA CN(C)[C@H](CNC(=O)c1ccc(C#CC(C)(C)O)o1)c1ccco1 952972097 ZHJWVOQGDDHZAJ-CQSZACIVSA-N 330.384 2.028 30 50 EEEA CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(F)c(C#N)c1 375132652 RYBIIRYBJFOQQU-QGZVFWFLSA-N 337.354 2.010 30 50 EEEA CC[C@H](C)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 265116206 DEIJTTOQACDZSU-RDJZCZTQSA-N 335.473 2.072 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)N=N1 952882277 SZYQTNKCFKGZQT-GOSISDBHSA-N 336.395 2.465 30 50 EEEA Cn1cc([C@@H]2CN(Cc3ccccc3C(C)(C)C#N)C[C@H]2CO)cn1 225533961 CWLBDLFPIKEIMD-ROUUACIJSA-N 338.455 2.429 30 50 EEEA C=CCN(Cc1cccc(OC)c1)C(=O)C[C@@H]1C[C@@H](C)NC(=S)N1 55413622 WDEUKPLRHFYDMM-HIFRSBDPSA-N 347.484 2.225 30 50 EEEA N#Cc1ccccc1CN1CC[C@@H](CNC(=O)NCc2ccco2)C1 67872985 XQBCCRZWTCHQDS-HNNXBMFYSA-N 338.411 2.473 30 50 EEEA Cc1cc(S(=O)(=O)N(C)[C@H](CC(C)(C)C)C(=O)O)ccc1C#N 281757511 FXXZTZVDLYEALU-CQSZACIVSA-N 338.429 2.377 30 50 EEEA C/C(O)=N/[C@H](CC(=O)N1CC[S@](=O)C[C@@H](C)C1)c1cccs1 330324662 IPSJBMFXTHGATC-KDGBHJTFSA-N 342.486 2.383 30 50 EEEA CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(C#N)c2)C1 330586259 UYTFQEQBLYKJIV-KGLIPLIRSA-N 339.317 2.230 30 50 EEEA CN1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1 374355730 ZIQCWKJEDWQBPL-SFHVURJKSA-N 341.436 2.164 30 50 EEEA COc1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 283399785 AECBTGSLGPKAIF-UHFFFAOYSA-N 342.424 2.294 30 50 EEEA C[C@H](CC#N)NC(=O)c1cc(I)ccc1O 171285442 QGEBZCZADAZHNH-SSDOTTSWSA-N 330.125 2.029 30 50 EEEA C=CCc1cc(C(=O)N2CC[C@@](CO)(CCC)[C@H](O)C2)ccc1OC 1857737682 YPCHPYVFTVRSOZ-UYAOXDASSA-N 347.455 2.409 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)N=N1 952879819 BFMDQFIWHKIOQX-UKRRQHHQSA-N 329.404 2.112 30 50 EEEA C#CCCC1(CCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)N=N1 952883011 VVZHTBLGDJAWCO-UHFFFAOYSA-N 342.399 2.356 30 50 EEEA N#Cc1cnc2cnccc2c1Nc1ccc2[nH]nc(C(N)=O)c2c1 1875290255 KQXDIYHGHKLKHG-UHFFFAOYSA-N 329.323 2.220 30 50 EEEA Cc1cccc(S(=O)(=O)Nc2cc(C)nc3c(C#N)cnn23)c1 2325868609 CPJRNDJSLYZEPG-UHFFFAOYSA-N 327.369 2.019 30 50 EEEA C#CCCC1(CCNC(=O)c2cc(C)n(CC(=O)OCC)c2C)N=N1 2325891456 HSUMNMLYEMXLIO-UHFFFAOYSA-N 344.415 2.363 30 50 EEEA CC[C@@H](CC#N)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 343856767 UNZGLXZWBMZRSP-VIFPVBQESA-N 346.372 2.286 30 50 EEEA C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(-c2nc(C)n[nH]2)cc1 154728428 WCENCZCWXAONOG-UHFFFAOYSA-N 327.388 2.143 30 50 EEEA C=CCNC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 33088959 CWBMWQYKCJFAMG-UHFFFAOYSA-N 333.185 2.236 30 50 EEEA CCCSc1ncc(-c2c(C#N)c(N)nc3c2C[C@@H](N)CC3)cn1 71551656 PNCZFJOCFKHOEY-NSHDSACASA-N 340.456 2.311 30 50 EEEA CC(C)(C#N)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 174854691 RPEORQJETAWNLT-QGZVFWFLSA-N 329.444 2.098 30 50 EEEA N#Cc1cccnc1N1CCC(NC(=O)[C@H]2Cc3ccccc3O2)CC1 223745472 UKJMHPCGVSTGLI-GOSISDBHSA-N 348.406 2.042 30 50 EEEA Cc1ncc(-c2ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc2)o1 190157136 DUPUIMVXCWYJOH-NSHDSACASA-N 326.356 2.349 30 50 EEEA Cc1ccc(S(=O)(=O)/N=C(\CN2CCCC2)N2CCCC2)cc1 16739865 BFTBKOAKYFFPBW-ISLYRVAYSA-N 335.473 2.274 30 50 EEEA C#CCCC1(CCC(=O)NCC(=O)N2CCCc3ccccc32)N=N1 952880892 MPNCXAJXLSIYEI-UHFFFAOYSA-N 338.411 2.438 30 50 EEEA C#CCCC1(CCNC(=O)Cc2ccccc2O[C@H]2CCOC2)N=N1 2325891354 BDCSGDBYKZFRRM-INIZCTEOSA-N 341.411 2.479 30 50 EEEA COc1nccc2c(NC(=O)N3CC[C@@](O)(CC#N)C3)cccc12 1365061523 MUOUFCABEDDUSB-KRWDZBQOSA-N 326.356 2.126 30 50 EEEA C=CCc1cc(-c2nccn2C[C@@H]2COCCO2)cc(OC)c1O 71754381 JFOFPAZLPKYMAL-OAHLLOKOSA-N 330.384 2.408 30 50 EEEA CCOC(=O)[C@H]1CCCCN1C(=O)COc1ccc(C#N)cc1F 239619490 BEXQEIBCSJHIMC-CQSZACIVSA-N 334.347 2.020 30 50 EEEA N#Cc1cccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 253395864 HSUTZCXIUUKFKQ-RDJZCZTQSA-N 346.383 2.194 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2CC[C@H]3NC(=O)C(C)(C)[C@@H]3C2)N=N1 1875380998 GVRXRFOPQIHXKQ-MGPQQGTHSA-N 330.432 2.009 30 50 EEEA CC(C)(C)OC(=O)N1CC[C@](C(O)=NOCCO)(C(F)(F)F)C1 328596500 WZLHCSXQNNOZLG-LBPRGKRZSA-N 342.314 2.056 30 50 EEEA Cc1ccc(CN2CCN(c3ncccc3C#N)C[C@@H]2CCO)cc1 72480533 UBHDLVWRZSGINV-IBGZPJMESA-N 336.439 2.335 30 50 EEEA CC(C)=CC(=O)N1CCc2ncnc(N3CCC[C@H](C#N)C3)c2CC1 72447566 MRVJKKLJTYCVBV-OAHLLOKOSA-N 339.443 2.110 30 50 EEEA C=CCC1(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)CCCC1 408519580 ZPCVEQWAFRWKOY-INIZCTEOSA-N 331.412 2.343 30 50 EEEA COC(=O)[C@H]1C(=O)[C@H](C(=O)/C=C/c2ccccc2)C(=O)CC1(C)C 100319738 FNNWAQYAEWAHFA-UETGSQEOSA-N 328.364 2.242 30 50 EEEA biogenic N#Cc1ccc(N2CC[C@@H](N3CCC[C@@H](N4CCCC4)C3)C2=O)cc1 229815561 WFUUGHNSBNHRNG-RTBURBONSA-N 338.455 2.224 30 50 EEEA CCOc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 32578336 NOURFLUBGGPEAX-YVLHZVERSA-N 348.380 2.126 30 50 EEEA N#C[C@H](C(=O)c1ccnc(-n2ccnc2)c1)c1nnc2n1CCCCC2 187225710 WUELUROYCZGGLG-CQSZACIVSA-N 347.382 2.075 30 50 EEEA Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)o1 19883559 UYFNGXJMWHPRLA-HNNXBMFYSA-N 344.367 2.321 30 50 EEEA CCN1CCN(C(=O)C/N=C(/O)c2oc3ccccc3c2C)CC1 328591155 BSBNJRUZKMPMFK-UHFFFAOYSA-N 329.400 2.210 30 50 EEEA Cc1nc(N[C@H]2CNCC[C@@H]2C#N)c2cnn(-c3ccccc3)c2n1 1875306304 ZXENIKFYVVVNBY-CJNGLKHVSA-N 333.399 2.038 30 50 EEEA Cn1cnc(C#N)c1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1776003007 QEHFTFXOOZMGFN-UHFFFAOYSA-N 341.371 2.243 30 50 EEEA C=CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccc(F)cc1 6700062 MONDWIQLMZXVKE-SNVBAGLBSA-N 336.392 2.321 30 50 EEEA CC#CC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55270719 MWPNUEOQCQVXQS-SFHVURJKSA-N 345.874 2.476 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)N=N1 952882436 QTVJDNXSRPCXPK-IXDOHACOSA-N 346.475 2.442 30 50 EEEA N#Cc1cc(C[C@@H]2CCN(C(=O)C3CC(F)(CN)C3)C2)ccc1F 2325792350 WMVJOKHSYAAJHC-UQHVZDHRSA-N 333.382 2.165 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc([N+](=O)[O-])cc1 443738 GFCXXUDGARUXQC-HNNXBMFYSA-N 339.307 2.479 30 50 EEEA C=CCOn1c(=O)c(-c2ccc(OCC)cc2)[n+]([O-])c2ccccc21 1797751 RGBGFIMKYCBXEN-UHFFFAOYSA-N 338.363 2.315 30 50 EEEA C=CCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 2958429 NHDLYQMNRMLMMO-UHFFFAOYSA-N 348.399 2.323 30 50 EEEA C=CC[C@]1(CO)CCCN(C(=O)CN2CCOc3ccccc3C2)C1 91270312 MFNNMAZMYOMUSV-FQEVSTJZSA-N 344.455 2.058 30 50 EEEA N#Cc1ccc(NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cn1 301527264 QGWOQSGOUDTHMP-QGZVFWFLSA-N 349.438 2.263 30 50 EEEA C#CCN1C(=O)S/C(=C/c2cc3c(cc2OCC)OCO3)C1=O 2821666 KPJRPRAPBJTOSZ-VGOFMYFVSA-N 331.349 2.484 30 50 EEEA Cc1ccnc(N2CCN(c3ccc(CN(C)C)cn3)CC2)c1C#N 242339194 ZFTDOXOOYWDGHF-UHFFFAOYSA-N 336.443 2.045 30 50 EEEA C[C@@H]1C[C@@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CO1 332298058 PFUBBVRXTMXOOU-NVXWUHKLSA-N 327.428 2.086 30 50 EEEA COC1(CN[C@H]2CCCN(c3ccccc3C#N)C2)CCOCC1 365405929 PWGUDIRVXSDBOX-KRWDZBQOSA-N 329.444 2.312 30 50 EEEA COc1cc(CN2CC[C@H](N=c3cc[nH]cc3C#N)C2)cc(OC)c1 375403968 NFHVGBFEQDTDMC-INIZCTEOSA-N 338.411 2.079 30 50 EEEA C=CCN1CC[C@@]2(CCC1=O)CN(CCCCCF)CCN2C 91535823 HDZDGQXKHRHYCZ-SFHVURJKSA-N 325.472 2.311 30 50 EEEA N#Cc1ccc(N2CCC[C@H](CNC(=O)c3cncc(F)c3)C2)nc1 826785242 MUEOEJGFBOIKCZ-CQSZACIVSA-N 339.374 2.134 30 50 EEEA CCc1nc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)[nH]c(=O)c1C#N 5238998 OOVOPGXDPAVESF-VIFPVBQESA-N 346.387 2.462 30 50 EEEA N#Cc1cnc(N[C@@H]2CCN(C(=O)c3ccncc3)C2)c(Cl)c1 370537867 CWVKUVWDAZXKEY-CYBMUJFWSA-N 327.775 2.328 30 50 EEEA CN(CCc1ccccn1)c1ncccc1CNC(=O)C1(C#N)CC1 67756295 XDNQRYLYVRAIPV-UHFFFAOYSA-N 335.411 2.075 30 50 EEEA Cn1cc(/C(O)=N/Cc2cc(C#N)ccc2F)c([C@@H]2CCOC2)n1 328616382 BNTKUVZVWYLCOH-GFCCVEGCSA-N 328.347 2.440 30 50 EEEA C=CCCS(=O)(=O)N1CCC(n2cc(Br)cn2)CC1 253431394 RLUHIAZUDWINIC-UHFFFAOYSA-N 348.266 2.188 30 50 EEEA COCc1nc(NC(=O)C2(C#N)CCCCC2)sc1C(=O)OC 330509183 ANNXKFVXNUMTOM-UHFFFAOYSA-N 337.401 2.489 30 50 EEEA O=C(O)COc1ccccc1/C=N/Nc1nncc(-c2ccccc2)n1 13477124 DHHFPUAOLUEAOJ-VXLYETTFSA-N 349.350 2.448 30 50 EEEA O/C(=N/[C@H]1CC[C@H](O)CC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 329363914 ZTXVHOGASVOQSF-MGPQQGTHSA-N 333.436 2.079 30 50 EEEA Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1C#N 436641156 UFHKNZKILNMHLH-UHFFFAOYSA-N 332.337 2.071 30 50 EEEA CCS(=O)(=O)C1CCN(/C(O)=N/CCOC2CCCCC2)CC1 331278727 AGAGHNOVGIWBEY-UHFFFAOYSA-N 346.493 2.149 30 50 EEEA Cc1cc(C)n([C@@H](C)/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)n1 328630912 JWAHUWOTOWWTON-JEYLPNPQSA-N 348.447 2.345 30 50 EEEA N#CCOc1ccccc1C(=O)NC[C@H]1CC(=O)Nc2ccccc21 364256290 MOYULAULWVKAJH-CYBMUJFWSA-N 335.363 2.445 30 50 EEEA Cc1cc(C[C@@H]2CN(c3nc(C(C)C)ccc3C#N)C[C@H]2O)n[nH]1 1704328703 NJKZYHDTDUWEDD-RHSMWYFYSA-N 325.416 2.148 30 50 EEEA C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 337725753 MDXJGUMZLUFRPA-CJNGLKHVSA-N 338.411 2.342 30 50 EEEA C=C(CN(C)C)C(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952892654 IMTOMXZHTTVTHN-UHFFFAOYSA-N 344.390 2.093 30 50 EEEA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cc(C#N)oc2C)C1 886038141 FVHPYVZMWPMCGQ-XJKSGUPXSA-N 341.367 2.163 30 50 EEEA NC(=O)[C@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21 38694760 QNQILYKUOWQTEZ-INIZCTEOSA-N 342.420 2.309 30 50 EEEA in-vitro COc1cccc(CSc2nc(=O)n3ncc(C#N)c3[nH]2)c1Cl 2325863833 YGHJJASVPBUNNJ-UHFFFAOYSA-N 347.787 2.244 30 50 EEEA CC(C)(C)n1cc(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)cn1 328625424 DDLBICGLFWWZAR-UHFFFAOYSA-N 348.447 2.270 30 50 EEEA N#Cc1cccc(N2CCC(C(=O)O)(n3cnc4ccccc43)CC2)n1 72427987 QCPKTBNLTMTYDE-UHFFFAOYSA-N 347.378 2.383 30 50 EEEA C=C(C)COc1cccc(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)c1 282654355 GEGWQBPAUBMGJY-HNNXBMFYSA-N 338.429 2.292 30 50 EEEA N#Cc1cc(N2CCC[C@H](c3ncc(Br)cn3)C2)ncn1 1363161196 ZEZXCQZAVYWXDI-JTQLQIEISA-N 345.204 2.285 30 50 EEEA CC(C)(C)O/C(O)=N/C[C@H](/N=C(\O)OCc1ccccc1)C(=O)O 84316978 WJKGPJRAGHSOLM-LBPRGKRZSA-N 338.360 2.300 30 50 EEEA in-vitro C#CCOc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)cc1 408520437 FDSVLLICUSCFEI-QAPCUYQASA-N 339.395 2.082 30 50 EEEA C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4005741 JLQPQZNXOIIXPL-QWHCGFSZSA-N 329.356 2.418 30 50 EEEA O/C(=N/Cc1ncnn1-c1ccccc1)NCC1(O)CCCCCC1 328588369 DEMHNZUTDFKUNA-UHFFFAOYSA-N 343.431 2.356 30 50 EEEA CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N\n1cnnc1 5598030 RHWZNMHOADTXOR-GOBGVIRVSA-N 329.385 2.042 30 50 EEEA N#CC1(c2nc(-c3ccncc3)nn2CC(F)(F)F)CCOCC1 96136128 ZWDAFWJYSBCTDJ-UHFFFAOYSA-N 337.305 2.474 30 50 EEEA C#CCN(CC)Cc1csc(Cn2ncc3ccccc3c2=O)n1 408525471 BJXXKJNOMHJXQR-UHFFFAOYSA-N 338.436 2.356 30 50 EEEA N#CCC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 408520881 ZVTUOTILLHMCFZ-UHFFFAOYSA-N 342.168 2.277 30 50 EEEA C=C(C)Cn1c(=O)c2c(nc3n([C@H](C)CC)c(C)cn23)n(C)c1=O 10103896 TWZUJBHVLAFOHF-LLVKDONJSA-N 329.404 2.005 30 50 EEEA COC[C@H]1CN(c2cc(Br)c(C#N)cc2F)CCO1 408516849 VLCMOHLMYHQGTI-SNVBAGLBSA-N 329.169 2.311 30 50 EEEA CC1(C)OB(c2cnc3c(cnn3[C@H]3CCCCO3)c2)OC1(C)C 200468088 PWUFRTQSKRKUET-CQSZACIVSA-N 329.209 2.430 30 50 EEEA CCN(C[C@H](C)C#N)C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1 249741827 YCAGMWVODQMIDD-RHSMWYFYSA-N 333.407 2.207 30 50 EEEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)C(F)(F)C2(O)CCC2)cn1 328616808 CBSRERCTDLZFDZ-NWDGAFQWSA-N 329.347 2.147 30 50 EEEA Cc1nnc(N=C(O)CSCC(=O)N(C)C2CCCCC2)n1C 329723007 CPSHPCWSYIKRAR-UHFFFAOYSA-N 339.465 2.236 30 50 EEEA CC(C)n1cc([C@@]2(O)CCN(c3c(Cl)cccc3C#N)C2)nn1 284551075 NRCUSXHXJATVIA-MRXNPFEDSA-N 331.807 2.482 30 50 EEEA N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCOC2 242140827 WPNGRHJPWSQKNI-NSHDSACASA-N 327.365 2.177 30 50 EEEA N#Cc1cccc(N2CCN(Cc3cc4ccccc4[nH]3)C[C@@H](O)C2)n1 97213035 ZWNNFPUTTKVJKK-GOSISDBHSA-N 347.422 2.118 30 50 EEEA C=CCn1cc(CN2CCC3(CC2)c2[nH]cnc2CCN3C)c(C)n1 91663894 XGZMLDURNWRCBD-UHFFFAOYSA-N 340.475 2.080 30 50 EEEA COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C(=O)O)c1 170596695 GXBFOAOMWYOHGX-UHFFFAOYSA-N 332.337 2.066 30 50 EEEA N#Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccn1 193736606 IWSZDRVAINWMKO-CZUORRHYSA-N 329.306 2.180 30 50 EEEA N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2[C@@](CO)(Cc2ccccc2)C3)c1 1857680118 BPRQUDQBVOGDTQ-HQRMLTQVSA-N 335.407 2.485 30 50 EEEA CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(C#N)c1)CCO2 128531464 RCSCWRWAECCPFG-UHFFFAOYSA-N 342.376 2.001 30 50 EEEA N#CC1(c2ccccc2)CC(NC[C@H](C(=O)O)C2CCOCC2)C1 888099576 BHSWQEJADCXQBX-HFCFLWKCSA-N 328.412 2.327 30 50 EEEA C#C[C@H](NC(=O)c1cc(C(N)=O)ccc1F)[C@H]1CCc2ccccc21 2325864061 FSBSCSHQQBOEDV-YJBOKZPZSA-N 336.366 2.386 30 50 EEEA CCOCCN1CCC=C([C@H](C)NC(=O)c2cccc(C#N)c2)C1 67851010 UXPAFKOBKMMDRV-HNNXBMFYSA-N 327.428 2.345 30 50 EEEA COC(=O)c1ccccc1CN1CCN(c2ncccc2C#N)CC1 122899141 XWCVBWRTWVCPMA-UHFFFAOYSA-N 336.395 2.062 30 50 EEEA CCN1C[C@@]2(CCCN(C(=O)c3ccccc3C#N)C2)CCC1=O 72430073 UAIDRXINIHZFDS-LJQANCHMSA-N 325.412 2.423 30 50 EEEA CC(C)n1cc([C@@]2(O)CCN(c3c(C#N)cnc4ccccc34)C2)nn1 284409972 BYJVLFGPTILLEZ-LJQANCHMSA-N 348.410 2.377 30 50 EEEA Cn1cc([C@H]2CCCCN2C(=O)c2cnn3ccc(C#N)cc23)cn1 1875293621 WUYVJZOPQBVBER-MRXNPFEDSA-N 334.383 2.307 30 50 EEEA C=CCN1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O 952961040 BGHGUFAVZYLBON-CQSZACIVSA-N 341.411 2.095 30 50 EEEA Cc1[nH]c2c(O)ncnc2c1CN1CCO[C@H](c2cccc(C#N)c2)C1 1775985250 PBZKGZSLJVIVDP-INIZCTEOSA-N 349.394 2.417 30 50 EEEA Cc1ccc(S(=O)(=O)N2CCC[C@@H](C#CC(=O)O)C2)c(Cl)c1 899930665 SUVIWZPMHJMPOB-LBPRGKRZSA-N 341.816 2.137 30 50 EEEA Cc1nnc(N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)n1N 4622078 RYKQZEORMXVJNI-DJKKODMXSA-N 327.367 2.293 30 50 EEEA CN1CCCC(C)(C)[C@H]1C/N=C(/O)NCc1nccn1C(F)F 331311458 GWPSRFUJZJTFDI-LLVKDONJSA-N 329.395 2.402 30 50 EEEA C=CCN(Cc1ccc(F)cc1)Cc1cnc(NCC(=O)O)nc1 55167555 YRQVKPFSHUFWSH-UHFFFAOYSA-N 330.363 2.300 30 50 EEEA C=CCn1cc(CN(Cc2ccccn2)C[C@@H]2CCC(=O)N2)c(C)n1 55060703 HVDAUDLHEPXONN-SFHVURJKSA-N 339.443 2.053 30 50 EEEA Cc1cnccc1C/N=C(/O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O 329151594 AFDMOZPLIRKDBX-JZXOWHBKSA-N 333.432 2.056 30 50 EEEA N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)cn1 219430800 QQZNSOAOBLOXOU-RDGPPVDQSA-N 333.391 2.329 30 50 EEEA N#Cc1ccccc1C(=O)NCc1nncn1CCc1ccccc1 826792169 SIKWOWVDTPFIKZ-UHFFFAOYSA-N 331.379 2.322 30 50 EEEA Cc1cc(N2CCCO[C@@H](C)C2)c(C#N)c(N2CCCO[C@@H](C)C2)n1 408518660 SPEUQSVHXWALBG-HOTGVXAUSA-N 344.459 2.492 30 50 EEEA CNC(=O)c1cccc(CNC(=O)c2ccc3ccn(CC#N)c3c2)c1 2325898528 JDIFBLVLRNXCMR-UHFFFAOYSA-N 346.390 2.454 30 50 EEEA CC#CC(=O)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 55270726 MWPNUEOQCQVXQS-GOSISDBHSA-N 345.874 2.476 30 50 EEEA Cc1nnc([C@H]2COCCN2C(=O)c2ccc(C#N)c(Cl)c2)o1 328611641 MEJZILQUKUTFID-CYBMUJFWSA-N 332.747 2.117 30 50 EEEA COCC1(C)CCN(/C(O)=N/C2CCN(C(=O)C3CC3)CC2)CC1 329180229 OEPFRVNAUBWLGH-UHFFFAOYSA-N 337.464 2.050 30 50 EEEA N#Cc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1 18240968 JKQQHLDAJAKQNF-UHFFFAOYSA-N 334.364 2.010 30 50 EEEA Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C2)n1 952965523 DFBHRRIZGMPLFZ-OAHLLOKOSA-N 341.411 2.303 30 50 EEEA N#Cc1ccc(NC(=O)CN2CC[C@@H](c3cnccn3)C2)cc1Cl 1460861958 ROQWLTKUJJPOGR-CYBMUJFWSA-N 341.802 2.430 30 50 EEEA N#Cc1cccc(/C=C/C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 110952069 VAJCJKWZWGAXCV-IHHMQQGQSA-N 339.439 2.285 30 50 EEEA C=CCNC(=S)NC(=O)c1ccccc1I 2883684 RFVAGFAOEAODAD-UHFFFAOYSA-N 346.193 2.082 30 50 EEEA CO[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 225711871 QYLAWDOHDQAYNQ-QWRGUYRKSA-N 348.346 2.423 30 50 EEEA CC(N[C@H](CO)Cc1ccc(O)cc1)=C1C(=O)CC(C)(C)CC1=O 100229590 RHXVDCUWFNYICS-AWEZNQCLSA-N 331.412 2.117 30 50 EEEA Cc1ccn(C[C@H]2CN(Cc3ccccc3)CCCO2)c(=O)c1C#N 289446333 UJDUVKSQMOBMHE-GOSISDBHSA-N 337.423 2.320 30 50 EEEA COCCN1CCC[C@]2(CCN(c3cc(C)c(C#N)c(C)n3)C2)C1=O 95382309 DGHYYLPJTVPEFM-LJQANCHMSA-N 342.443 2.035 30 50 EEEA C=CCN(C(=O)c1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 1337165072 HWSIDJLVMPZFRK-HNNXBMFYSA-N 327.428 2.179 30 50 EEEA N#Cc1cccc(CC/N=C(/O)N2CCCN(CC(F)F)CC2)c1 328588075 QQJBTUDWSNDTRJ-UHFFFAOYSA-N 336.386 2.288 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)N=N1 2325892378 LIMPOUDTYLWZKY-IXDOHACOSA-N 346.475 2.348 30 50 EEEA C=CCn1c(SCC(N)=O)nnc1-c1ccc(Br)o1 6729754 RNZJAYFUCIBCNT-UHFFFAOYSA-N 343.206 2.064 30 50 EEEA C=C(C)COc1ccc(C(=O)NCCCc2nnc(N)s2)cc1 55369436 VUNBVZWPNDHMIF-UHFFFAOYSA-N 332.429 2.438 30 50 EEEA COc1ccc(N=C(O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)cn1 328629187 OPDCNQXPWRKDBB-GFCCVEGCSA-N 347.375 2.216 30 50 EEEA CC(C)[C@H](/C(O)=N/[C@H]1CN(c2ccccc2)C1=O)N1CCCC1=O 329463996 QVKRGWORSWHTKW-GOEBONIOSA-N 329.400 2.005 30 50 EEEA Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2ccc(C#N)s2)cn1 434164142 OJIQUJVMAHFKCV-KBPBESRZSA-N 333.436 2.055 30 50 EEEA N#Cc1cc(F)ccc1NS(=O)(=O)c1csc(C(=O)O)c1 126201489 MPBBQBMRTBZJNA-UHFFFAOYSA-N 326.330 2.258 30 50 EEEA CC[C@H]1CN(C(=O)C2(C#N)CC2)CCC(=O)N1Cc1ccccc1 71708123 DPINVZIKDNTSPM-INIZCTEOSA-N 325.412 2.330 30 50 EEEA CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(-c2cc(C#N)ccn2)cc1 426428753 JSCGWSOHCSKBCN-GOSISDBHSA-N 348.406 2.217 30 50 EEEA Cc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1C 32578338 QQAGEJZIKXNHQJ-MFOYZWKCSA-N 332.381 2.345 30 50 EEEA CCn1nc(C(=O)NCc2cncc(C#N)c2)c2c1[C@H](C)O[C@H](C)C2 1875300020 HPRZIMVSXRWQIE-NEPJUHHUSA-N 339.399 2.122 30 50 EEEA CCc1nnc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c(C#N)c1CC 170088715 KUXPEAFYYAGFRM-INIZCTEOSA-N 340.431 2.146 30 50 EEEA N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2CCc3ccccc32)CC1 1772819080 PITIEIZAXVMQTB-QGZVFWFLSA-N 347.422 2.117 30 50 EEEA CC1(C)OB(c2cnc3c(cnn3[C@@H]3CCCCO3)c2)OC1(C)C 200468058 PWUFRTQSKRKUET-AWEZNQCLSA-N 329.209 2.430 30 50 EEEA COC1=C[C@@H]2[C@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O 100473175 INYYVPJSBIVGPH-VLXJIEOASA-N 329.396 2.018 30 50 EEEA biogenic,in-vitro CSc1ncc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)cn1 67947616 CEROUNWHSIWQDX-GXFFZTMASA-N 338.440 2.406 30 50 EEEA N#Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccn1 193736559 IWSZDRVAINWMKO-BBRMVZONSA-N 329.306 2.180 30 50 EEEA C=CCS(=O)(=O)N1CC[C@H](C2CCN(Cc3cccnc3)CC2)C1 15075062 HZUAUPMTOJCDRW-SFHVURJKSA-N 349.500 2.131 30 50 EEEA C=CCNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccco1 15746041 ARXFQOTZTGBQAS-NTCAYCPXSA-N 326.352 2.361 30 50 EEEA C=CCn1c(COC)nnc1SCC(=O)NCc1ccccc1 4868796 NRKOASIRNFGTOO-UHFFFAOYSA-N 332.429 2.019 30 50 EEEA C=CCNC(=O)[C@H](C)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 246219446 YLKPZXWNWRYBAO-WFASDCNBSA-N 335.835 2.068 30 50 EEEA N#Cc1cccc(Cl)c1N1CC[C@H](S(=O)(=O)N2CCCC2)C1 133710027 KWZRYCUDYFRRRT-ZDUSSCGKSA-N 339.848 2.216 30 50 EEEA COc1ccc(OC)c(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 100175760 SJTWWZJWUQMHCH-OGLNHSBWSA-N 340.379 2.235 30 50 EEEA CN(OCc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1C#N 134840934 KVJLDWTXZGNUSL-UHFFFAOYSA-N 327.315 2.226 30 50 EEEA Cc1cncc(/C=C/C(O)=N/C[C@@H]2CN(c3nncs3)CCO2)c1 328589979 QYZQVRYRSDQZMV-BAABZTOOSA-N 345.428 2.117 30 50 EEEA CCn1nnc(C)c1C(=O)NCCSCc1ccccc1C#N 294270811 DWPFKWXEZOAKBN-UHFFFAOYSA-N 329.429 2.141 30 50 EEEA Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/n2cnnc2)cc1 252480004 BRMYUQYBDXKSJA-VXLYETTFSA-N 342.380 2.236 30 50 EEEA CO[C@H]1C[C@H](c2nnc(C)o2)N(CCCOc2cccc(C#N)c2)C1 1875391846 ZTCQYOLLJDNHNV-DLBZAZTESA-N 342.399 2.481 30 50 EEEA COC(=O)c1ccc(/C=N/n2c(S)nnc2-c2ccncc2)cc1 1299880 YEFCDWCTHNZMIM-VCHYOVAHSA-N 339.380 2.298 30 50 EEEA COC(=O)c1cccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)c1 205906275 NWOWCCRETBLEPW-UHFFFAOYSA-N 342.204 2.017 30 50 EEEA Cc1ccc(C)c(S(=O)(=O)ON2C(=O)c3ccccc3C2=O)c1 2840326 ZNJYKWXQBAFTQM-UHFFFAOYSA-N 331.349 2.220 30 50 EEEA aggregator Cc1cc(C)c(C#N)c(N2C[C@H](CO)[C@H](CN3CCCCC3)C2)n1 91830841 FTVAXXPNPCRZSM-IAGOWNOFSA-N 328.460 2.101 30 50 EEEA CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@H]1[C@H]1CCCO1 292457898 YONWRTOQJSKWSB-CABCVRRESA-N 338.404 2.275 30 50 EEEA Cn1cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)ccc1=O 864235149 JLUWGSRXSMETLW-UHFFFAOYSA-N 346.236 2.084 30 50 EEEA Cn1[nH]c(=NC(=O)c2ccc(N3CCCC3)c(C#N)c2)cc1C1CC1 1875260369 AMSPUMJUMZZEEH-UHFFFAOYSA-N 335.411 2.444 30 50 EEEA C[C@@H]1CC[C@@H](CS(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1875297858 GJYXKBKAVFRUPU-IIAWOOMASA-N 349.456 2.172 30 50 EEEA CN(C)c1ccc(C(O)=Nc2cc([C@H]3CCCOC3)nn2C)nc1 329833548 GLXNPFRMWXEWDB-LBPRGKRZSA-N 329.404 2.411 30 50 EEEA N#C[C@@H]1CN(Cc2ccc(Oc3cnccn3)cc2)CCN1C1CC1 371328696 YAIKXDNKEYACTN-QGZVFWFLSA-N 335.411 2.441 30 50 EEEA C[C@@H](C#N)CN(C)S(=O)(=O)N1CCSC2(CCCCC2)C1 253397230 VEXFTDCLMIQYLC-ZDUSSCGKSA-N 331.507 2.074 30 50 EEEA Cc1nc(S)sc1CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 130326689 HKMDLPDDKRVAAA-UHFFFAOYSA-N 345.449 2.444 30 50 EEEA CN(C[C@]1(C)CCCO1)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 1875306677 BSMCUPZVPSQLAU-IBGZPJMESA-N 342.443 2.197 30 50 EEEA CC(C)c1noc([C@H](NC(=O)c2c[nH]c(C#N)c2)C2CCOCC2)n1 275600390 KDRNYRNVEBTUNA-CQSZACIVSA-N 343.387 2.290 30 50 EEEA CN1CC[C@@H](C/N=C(/O)NC[C@@H]2CCCS2)[C@@H]1c1cccnc1 328633047 SIAQNTWZAWOSJQ-JYJNAYRXSA-N 334.489 2.474 30 50 EEEA CC#CCS(=O)(=O)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 253425121 AYZIQSMKBQMOCO-GFCCVEGCSA-N 333.331 2.192 30 50 EEEA CSC[C@H](C)C(=O)N1CCC(C(=O)N(C)C2(C#N)CCC2)CC1 253431556 HKNYOKBPLGWPJT-ZDUSSCGKSA-N 337.489 2.129 30 50 EEEA COC[C@@H]1CCCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 364142007 VFCXUABLAFZFAG-GFCCVEGCSA-N 326.393 2.135 30 50 EEEA CCn1ccnc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 91645753 MBJXLJYJONMEKA-OAHLLOKOSA-N 344.440 2.343 30 50 EEEA OCC#Cc1csc(CN2CCN(Cc3cccc(O)c3)CC2)c1 828644640 QFWVFMFSNZHSIM-UHFFFAOYSA-N 342.464 2.115 30 50 EEEA CC(C)c1noc([C@@H](Nc2cnc(C#N)cn2)C2CCOCC2)n1 275386415 PFAFWJHMPHWNDO-AWEZNQCLSA-N 328.376 2.434 30 50 EEEA COc1cc(/C=N/N=C(N)N)ccc1Oc1ccc([N+](=O)[O-])cc1 6667434 HQZRIZYJZYAGBU-GIJQJNRQSA-N 329.316 2.003 30 50 EEEA C#CCCC1(CCC(=O)N(C)S(=O)(=O)Cc2ccccc2)N=N1 2325900557 ABUODIJTFBMHRJ-UHFFFAOYSA-N 333.413 2.331 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1[N+](=O)[O-] 237374 KMQYZWJNPAKLOK-ABAIWWIYSA-N 346.339 2.058 30 50 EEEA C=CCOc1c(Br)cc(CNC[C@H](C)O)cc1OC 2178121 UUZWKXXQNBJPJN-JTQLQIEISA-N 330.222 2.493 30 50 EEEA CN(Cc1cc(C#N)cs1)C[C@@H]1C[C@H](F)CN1c1ccncn1 328627469 GGMHVTKBTXRWRM-KBPBESRZSA-N 331.420 2.459 30 50 EEEA COC[C@H](N/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 328640589 XNHOKXHSDJHUIS-ULQDDVLXSA-N 332.448 2.003 30 50 EEEA Cc1sc(N=C(O)CN2CC[C@@](C)(NCC(=O)O)C2)c(C)c1C 328604404 JNVXICXHOVNEGT-MRXNPFEDSA-N 339.461 2.400 30 50 EEEA C[C@H](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)N1CCOCC1 72448104 UFXXSAOBWRTCCG-OAHLLOKOSA-N 327.428 2.131 30 50 EEEA C=CCN1CCN(C(=O)NC2CCN(Cc3cccs3)CC2)CC1 584886543 HDTSYIIKUJRVAI-UHFFFAOYSA-N 348.516 2.226 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)N=N1 952881529 NHPCIBLNGAIIAL-OAHLLOKOSA-N 339.399 2.049 30 50 EEEA CCCOc1ccc(NC(=O)CSc2ncc(C#N)c(N)n2)cc1 16650280 XKYYYFGYNYUSCO-UHFFFAOYSA-N 343.412 2.450 30 50 EEEA C#CCCC1(CCC(=O)N(C)c2nc(C)c(C(=O)OCC)o2)N=N1 2325892787 CMLGLCDXGSJQQE-UHFFFAOYSA-N 332.360 2.478 30 50 EEEA CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)NCc1ccc(F)cc1 100421586 JPBQVXRJKPBQTD-CYBMUJFWSA-N 344.386 2.221 30 50 EEEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)NCc2ccco2)cc1 219479936 MAOFLRPNKNYLGN-IAGOWNOFSA-N 341.367 2.187 30 50 EEEA N#CC1(C(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)CCOCC1 299745424 YZSOUMIPEXPZLF-HOCLYGCPSA-N 332.375 2.340 30 50 EEEA CC(=O)N1C[C@@H](NC(=O)c2cc(C#N)oc2C)CC[C@@H]1C(F)(F)F 886088684 KRCYXFHJYVGJEH-GXFFZTMASA-N 343.305 2.131 30 50 EEEA Cn1cc(C#N)cc1C(=O)N[C@H]1[C@H](Cc2ccccc2)[C@@H]2OCC[C@H]12 1565515483 ZGESZNXAGRGVFU-UKBAYJJMSA-N 335.407 2.273 30 50 EEEA Cn1cc([C@@H]2CSCCN2CCOc2cccc(C#N)c2)cn1 191211856 CLBLQJNSVJKULP-KRWDZBQOSA-N 328.441 2.461 30 50 EEEA CSC(=N)N/N=C/c1cc(C)cc(/C=N/NC(=N)SC)c1O 4738451 QEGDHORQKNFIOW-KGMKFKQSSA-N 338.462 2.143 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H](c3c[nH]nc3C(=O)O)C2)N=N1 2325900881 MQPZLCSWVODDOE-GFCCVEGCSA-N 343.387 2.170 30 50 EEEA N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H]1C(=O)O 899550552 ARMJAXLWIJSSHB-SNVBAGLBSA-N 336.394 2.011 30 50 EEEA CCc1nn(C)c(Cl)c1CN1CCN(c2ccc(C#N)cn2)CC1 222401935 BPKFKQIPXBSSTK-UHFFFAOYSA-N 344.850 2.225 30 50 EEEA N#Cc1cc2n(n1)CCCN([C@@H]1CCN(c3ccc(F)cc3)C1)C2 670474121 IULXFCIQBQZALD-QGZVFWFLSA-N 325.391 2.378 30 50 EEEA CC1(C)OB(c2ccc(C(=O)O)cc2Br)OC1(C)C 306922630 VZZXTVSVQMTXEY-UHFFFAOYSA-N 326.983 2.447 30 50 EEEA C=CCN(CC=C)C(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1cncn1C 345413080 XHLJWUVVUHJIPJ-YJBOKZPZSA-N 342.443 2.063 30 50 EEEA COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCCC1 170004464 XRXVZUFARRYNBX-UHFFFAOYSA-N 331.221 2.230 30 50 EEEA C=CCNc1ccccc1C(=O)NCC[C@H](C)N1CCN(C)CC1 65495147 ICMLWFMLADUZKK-INIZCTEOSA-N 330.476 2.040 30 50 EEEA Cc1nc(C(=O)N2CCC[C@@H]2c2ccc(N(C)C)nn2)ccc1C#N 886080444 SCNIHRXCXNEGOH-MRXNPFEDSA-N 336.399 2.095 30 50 EEEA COc1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)cc1C#N 275648241 UDIFUWSRKSUNCH-RDJZCZTQSA-N 326.400 2.310 30 50 EEEA CN/C(=N/Cc1ccc(N2CCOC2=O)cc1)NCc1ccco1 170593963 FKZZJZCHDRHTIS-UHFFFAOYSA-N 328.372 2.101 30 50 EEEA C=CCC(O)(CC=C)CNC(=O)c1cn(Cc2ccccc2F)nn1 11661386 NCWGJDLGCREMML-UHFFFAOYSA-N 344.390 2.079 30 50 EEEA C=CCC(O)(CC=C)CNC(=O)[C@@H]1CCC(=O)N(C2CCCC2)C1 12613073 OUSKKFSZVRXMPY-OAHLLOKOSA-N 334.460 2.167 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1cccc(C)c1 13147442 MQFJELARWFGEHX-GHJWDPDVSA-N 327.380 2.251 30 50 EEEA CN1C[C@@H]2[C@H](CCCN2Cc2cn(C)nc2-c2ccc(C#N)cc2)C1=O 344284697 ABQNNSZBVLPFSP-ZWKOTPCHSA-N 349.438 2.011 30 50 EEEA CC(C)n1cc(C#N)c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n1 161190415 GURLYITWYCWCKS-LBPRGKRZSA-N 329.404 2.065 30 50 EEEA COc1cc(C#N)c(NC(=O)CN2C[C@@H](C)C[C@@H](C)C2)cc1OC 1425565 FCUHNMGEMCNHJX-BETUJISGSA-N 331.416 2.492 30 50 EEEA C#CCCC1(CCNC(=O)c2cc3[nH]c(C(=O)OC)cc3o2)N=N1 2325887429 QHJSZACDNGQCKH-UHFFFAOYSA-N 328.328 2.243 30 50 EEEA CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2C#N)c1 6680308 RGHZPVQYRJETHA-UHFFFAOYSA-N 335.410 2.122 30 50 EEEA N#Cc1ccc(OCCNC(=O)NCc2cnn3ccccc23)cc1 345075359 NNJGOBWVZPWWCG-UHFFFAOYSA-N 335.367 2.084 30 50 EEEA C=CCn1nc(C(=O)O)c2c1CC[C@H](N(C)Cc1ccncc1C)C2 67677386 UFCCIPYFTYNWMR-HNNXBMFYSA-N 340.427 2.460 30 50 EEEA CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)c1nccnc1C#N 328630771 JTQAIDGUUFNNRC-STQMWFEESA-N 331.420 2.459 30 50 EEEA C[C@](O)(CN1CCN([C@H](C#N)c2ccccc2)CC1)C(F)(F)F 281894904 OXLCJQNVTGYUON-CABCVRRESA-N 327.350 2.182 30 50 EEEA O=C(/C=C\c1ccc(I)o1)c1cccc[n+]1[O-] 35190042 LHNCUBBAJSDTRV-XQRVVYSFSA-N 341.104 2.414 30 50 EEEA COc1ccc(F)cc1[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1C[C@H](O)C1 244866341 VUHZOWZPOAMQLH-CJBNDPTMSA-N 343.358 2.276 30 50 EEEA COc1cccc(C(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)c1OC 18161857 FPFLUHKCHPLAAS-UHFFFAOYSA-N 345.311 2.089 30 50 EEEA C#CCCC1(CCC(=O)N[C@H](c2cccnc2)c2ccnn2C)N=N1 2325886374 SQPDGOHPLLVKPL-QGZVFWFLSA-N 336.399 2.376 30 50 EEEA CN1CC[C@@H](C/N=C(/O)NC[C@H]2CCCS2)[C@@H]1c1cccnc1 328633048 SIAQNTWZAWOSJQ-XHSDSOJGSA-N 334.489 2.474 30 50 EEEA CN(C)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2ccccc2n1 364655016 SOSMNKFNLZIEIK-HNNXBMFYSA-N 349.438 2.113 30 50 EEEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)COc2ccccc2OC)C1 92046307 UOAQWPZZUFKIOG-GOSISDBHSA-N 333.384 2.344 30 50 EEEA Cc1nnc(N2CC[C@@H](OCc3c(C)noc3C)C2)c(C#N)c1C 302139767 GHKJYMIOZKYONQ-CQSZACIVSA-N 327.388 2.365 30 50 EEEA Cc1n[nH]c(NS(=O)(=O)c2ccc(Br)s2)c1C#N 170594960 FLKPODOUOZDCSO-UHFFFAOYSA-N 347.219 2.215 30 50 EEEA CC/N=C(/NCC)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 18178994 XTWKEHUBTLKLER-ZDUSSCGKSA-N 335.429 2.046 30 50 EEEA O=S1(=O)CCO[C@@H](C/N=C(/O)CCc2cc(Cl)cs2)C1 329087896 VNEISOZBRPSXOS-JTQLQIEISA-N 337.850 2.104 30 50 EEEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)COC[C@@H]2CCOC2)cn1 328629999 PJDGLNOPUYNRQV-UKPHBRMFSA-N 337.420 2.133 30 50 EEEA C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)O)S1)c1ccc(Cl)cc1 12343032 VYKAUZXSJNDTEF-JYMRLUDQSA-N 325.777 2.126 30 50 EEEA N#Cc1c[nH]c(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 346835042 UFYDPLMFSVGVAS-SNVBAGLBSA-N 346.749 2.214 30 50 EEEA Cn1ccc(CCNc2nc3c(c(C#N)c2C#N)CCCCCC3)n1 330054984 SWYQXBLMFHVEDU-UHFFFAOYSA-N 334.427 2.872 30 50 EEEA C=C(C)CN(C)C(=O)C[C@@H]1COc2ccc(C(=O)N(C)C)cc2N1C 71439477 LXLOYMBYYCMCIZ-OAHLLOKOSA-N 345.443 2.010 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)N=N1 952882835 XTVNHFXOSWRITB-ZIAGYGMSSA-N 329.404 2.112 30 50 EEEA C=C(C)C(=O)O[C@H]1CC2=C[C@H](CC(C)=C[C@H]3OC(=O)C(=C)[C@H]13)OC2=O 936069313 JMUOPRSXUVOHFE-FZKCQIBNSA-N 344.363 2.164 30 50 EEEA biogenic,in-vitro COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 381127 ZZYZZVGEHAGCKI-GOEBONIOSA-N 331.368 2.159 30 50 EEEA C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1OC 4918665 AIOZCZVHDUONFR-HNNXBMFYSA-N 348.424 2.226 30 50 EEEA COC(=O)[C@H]1C(=O)/C(=C/NCCc2ccccc2)C(=O)CC1(C)C 100318982 OCLUNMZKXQGIFE-WCRPCQDQSA-N 329.396 2.060 30 50 EEEA CCNc1c(N)cc(C(=O)OCC)cc1B1OC(C)(C)C(C)(C)O1 170008535 QKNDPCUCCQYSKL-UHFFFAOYSA-N 334.225 2.177 30 50 EEEA CCOc1ccc(NC(=O)N2CC[C@H](CC(=O)OC)C2)cc1C#N 97499442 APHAZIFXSDWOHR-GFCCVEGCSA-N 331.372 2.374 30 50 EEEA CS(=O)(=O)N1CCC(CNc2nc3ccccc3cc2C#N)CC1 750025942 RYUDPRXXAQEMGH-UHFFFAOYSA-N 344.440 2.190 30 50 EEEA C=CCC1(CC=C)CCCCN1C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 55358429 BTSBUWPAVKYXKW-CQSZACIVSA-N 333.432 2.172 30 50 EEEA C=CCc1cc(CNCCN2CCC[C@@H](C(N)=O)C2)ccc1OCC 55413478 LUGYQIOTJBSRFE-GOSISDBHSA-N 345.487 2.101 30 50 EEEA N#Cc1cccc(CN2CC[C@H](CNC(=O)c3ccc(C#N)nc3)C2)c1 67641664 UTOVIRLFOKLOSN-QGZVFWFLSA-N 345.406 2.077 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2cc(C)nc(C3CC3)n2)C1 328612580 PGCIUIBCXSSAID-KRWDZBQOSA-N 342.403 2.436 30 50 EEEA CN(C)c1ccc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 244584386 CYIRFOHUIPKUIU-SJUNHDGSSA-N 335.407 2.140 30 50 EEEA C=CCN(Cc1c(Cl)cccc1C(=O)O)[C@@H]1CCS(=O)(=O)C1 652399556 QYVVFGWWRJEGBE-LLVKDONJSA-N 343.832 2.213 30 50 EEEA CCc1ccccc1NC(=O)CSc1nc(CC)c(C#N)c(=O)[nH]1 5238947 LVQGVULHYAIGGV-UHFFFAOYSA-N 342.424 2.497 30 50 EEEA CCc1nn(C)cc1/C(O)=N/[C@H]1CCCO[C@@H]1c1cnn(CC)c1 328638862 WQOQQEJHHCAIGM-JKSUJKDBSA-N 331.420 2.424 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1[N+](=O)[O-] 535315 QIQIBGPRJOSTGG-HNNXBMFYSA-N 339.307 2.479 30 50 EEEA CCn1cc(CN2C[C@H]3C[C@H](C2)[C@@H]2CCCC(=O)N2C3)cc1C#N 102697380 CSQGNSHGOOKHQF-KYJSFNMBSA-N 326.444 2.212 30 50 EEEA N#Cc1ccc(C(=O)Oc2ccc(O[C@@H]3CCCCNC3=O)cc2)[nH]1 153827443 KDGYRNPWLWSFOI-MRXNPFEDSA-N 339.351 2.153 30 50 EEEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)c2ccc3cncn3c2)cnn1C 328883233 NEZZMAKYXWJAGC-JKSUJKDBSA-N 325.372 2.211 30 50 EEEA C=CC[C@@H]1N(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CCCC1(C)C 443866850 HGDMXVGFRVDPHZ-HNNXBMFYSA-N 342.443 2.467 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc(CC)c(S(C)(=O)=O)c2)N=N1 1875381068 JJCHEXIQGITQGG-UHFFFAOYSA-N 347.440 2.348 30 50 EEEA CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 19796796 HKUTXQGAIDXQDW-UHFFFAOYSA-N 332.473 2.075 30 50 EEEA COc1cc(CNC(=O)c2ccc(C#CC(C)(C)O)o2)ccc1O 65533842 ZWTRGRFUCLSOIX-UHFFFAOYSA-N 329.352 2.046 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C 253421235 SJMFPCANFRRJKB-NXWXRZEISA-N 343.471 2.389 30 50 EEEA Cc1nc(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)no1 534649348 OQODABJYQFTRHC-UHFFFAOYSA-N 325.372 2.145 30 50 EEEA C=CCN(C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 1337165074 HWSIDJLVMPZFRK-OAHLLOKOSA-N 327.428 2.179 30 50 EEEA C=CCN1C[C@H]2CN(C(=O)c3cccc(Cl)c3C)C[C@@]2(C(=O)O)C1 1565508895 BTZKZUXCKNMPCS-UGSOOPFHSA-N 348.830 2.293 30 50 EEEA COc1ccc(C#N)cc1CN1C[C@@H](OC)C[C@H]1CN1CCCC1 347909866 AFRRJSRAFNTPKR-ROUUACIJSA-N 329.444 2.252 30 50 EEEA N#Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)ccn1 348252344 BKJDNIOSMKIXFI-CJNGLKHVSA-N 329.306 2.180 30 50 EEEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2ccc(C#N)c(C)n2)C3)n1 685941907 DCCFYSVIDIKYFJ-KSSFIOAISA-N 337.383 2.147 30 50 EEEA C#CCCC1(CCC(=O)N2C[C@@H](C3CC3)[C@](F)(C(=O)OC)C2)N=N1 2325892964 XAFKNKOAMQMXNF-GUYCJALGSA-N 335.379 2.092 30 50 EEEA C#CCCC1(CCC(=O)N2CCC(c3cc(C(=O)O)n[nH]3)CC2)N=N1 2325900759 IHXCJQYDWWUHPM-UHFFFAOYSA-N 343.387 2.170 30 50 EEEA CC1(C)C[C@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCO1 97360154 SXVWTJUXDLPZGZ-MRXNPFEDSA-N 327.428 2.412 30 50 EEEA Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCCO[C@H]1c1cnn(C)c1 886079089 HMNUTFAFLIVQDT-MAUKXSAKSA-N 338.411 2.498 30 50 EEEA Cn1cc(N2CCC[C@H](O/N=C3/CCOc4ccccc43)C2=O)cn1 170642616 JJZKLNIRFQDFQZ-SWEXZPIWSA-N 340.383 2.119 30 50 EEEA C=CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)C(C(=O)OC)=C1C 228847 WXKANRYZAQOOIG-UVTDQMKNSA-N 327.336 2.243 30 50 EEEA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cccc(C#N)c2)C1 330586261 UYTFQEQBLYKJIV-ZIAGYGMSSA-N 339.317 2.230 30 50 EEEA COc1ccc(OCCCN)c(C(=O)N2CCC[C@@](C)(C#N)C2)c1 299797799 PHPZONFFKIYXDH-SFHVURJKSA-N 331.416 2.189 30 50 EEEA COc1nc(N/N=C/c2ccccc2F)nc(N2CCCCC2)n1 5050074 VYFUSHZHIOLFAE-WOJGMQOQSA-N 330.367 2.456 30 50 EEEA C=CCNC(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12587036 MWODUXXJGXXIOB-LBPRGKRZSA-N 341.333 2.292 30 50 EEEA O=[N+]([O-])N=C1NCN(Cc2ccccc2)CN1Cc1ccccc1 19328981 WYCSQVFVBVTWRQ-UHFFFAOYSA-N 325.372 2.057 30 50 EEEA C[C@@H](C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1)n1cnc(C#N)n1 2325738247 PGVIYPLCDIPQKR-WCBMZHEXSA-N 334.261 2.001 30 50 EEEA C=CCC[C@H](CN1CCCC1)Oc1ccc(CS(C)(=O)=O)cn1 67872659 DKFYPYONGXUTKD-MRXNPFEDSA-N 338.473 2.436 30 50 EEEA CCOc1nc2ccc(/C(O)=N/S(=O)(=O)CC(C)C)cc2[nH]1 328596616 ILONQNUFHKCRHD-UHFFFAOYSA-N 325.390 2.252 30 50 EEEA COc1nccc(N[C@@H]2COCC[C@@H]2OCc2cscn2)c1C#N 218834114 ICWWTPVYNGXCBS-CABCVRRESA-N 346.412 2.205 30 50 EEEA N#Cc1ccc(S(=O)(=O)N2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 241383465 MVMHJALQGBRWEV-GXTWGEPZSA-N 340.832 2.401 30 50 EEEA N#Cc1ccc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)cc1 92036929 ANNDUWFZMBGOOC-UHFFFAOYSA-N 341.455 2.145 30 50 EEEA CC1CC(n2nnc3c2CN(C[C@@H](O)c2ccc(C#N)cc2)CC3)C1 879329937 OZQWQJIRMUCYFC-NSRCDFIJSA-N 337.427 2.212 30 50 EEEA CN1CCOc2ccc(NC(=O)Nc3ccn(CCC#N)n3)cc21 191489161 BEODEKYWJNOQRQ-UHFFFAOYSA-N 326.360 2.269 30 50 EEEA C[C@H](C(O)=Nc1ccc(C#N)c(Cl)c1)N1C[C@H]2[C@@H](C1)OCCN2C 329917826 FRPZLVGMSWHNJN-XFBWCDHKSA-N 348.834 2.203 30 50 EEEA COc1cc([C@H](c2c(O)n[nH]c2C)C(C#N)C#N)cc(OC)c1OC 76300 YVDMFAPZHWFUEE-HNNXBMFYSA-N 342.355 2.245 30 50 EEEA N#Cc1ccc(NC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)cc1F 263060456 OJMKXGOQABYBIO-NXEZZACHSA-N 345.252 2.424 30 50 EEEA C[C@@H]1CCO[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 295760645 PBEXOOHHGFINLQ-PXAZEXFGSA-N 332.375 2.492 30 50 EEEA C#CCOc1ccc(C(=O)c2ccc(OCCOCCN)cc2)cc1 685965950 KXFOOVXWBVYUIH-UHFFFAOYSA-N 339.391 2.284 30 50 EEEA C[C@@H]1Cc2c(C#N)cccc2N1S(=O)(=O)c1cn2c(n1)CCCC2 2325809804 PESUQYBSIJOXGZ-GFCCVEGCSA-N 342.424 2.231 30 50 EEEA COc1ccc(Cl)c(CSc2nc(=O)n3ncc(C#N)c3[nH]2)c1 2325863300 CYUZHQBOMKXHPV-UHFFFAOYSA-N 347.787 2.244 30 50 EEEA CCCN1CCC[C@@H]1C(=O)NC1CCN(/C(O)=N/C(C)(C)C)CC1 330667284 BJGYFXLGHWVENT-OAHLLOKOSA-N 338.496 2.154 30 50 EEEA Cc1ccc(NC(=O)N2CCC3(CC2)CN(C)C(=O)O3)cc1C#N 96180882 IZWLYNMVSQTXKT-UHFFFAOYSA-N 328.372 2.315 30 50 EEEA C(=N/N=C(c1ccccc1)C12CN3CN(CN(C3)C1)C2)\c1ccccc1 252320779 RAOSYXXKAGSZAU-RPOPQVCSSA-N 345.450 2.316 30 50 EEEA C=C1CCN(S(=O)(=O)c2ccc(OCC(=O)O)c(Cl)c2)CC1 871867180 GCUXCZKHKTWUGN-UHFFFAOYSA-N 345.804 2.144 30 50 EEEA CC(C)(NC(=O)NCCc1ccc(C#N)cc1)[C@H](O)C(F)(F)F 1776005850 KJOLGJMEPVSDBR-LBPRGKRZSA-N 329.322 2.102 30 50 EEEA CCc1[nH]nc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1[N+](=O)[O-] 192904664 GFHNDEXEKAGRCZ-KRWDZBQOSA-N 339.355 2.061 30 50 EEEA O=S(=O)(/N=C(\O)NN1CCCCCC1)c1ccc(Cl)cc1 1517 RHQSNARBXHRBNP-UHFFFAOYSA-N 331.825 2.323 30 50 EEEA in-man CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccs1 19582814 RSMBIEQXAZDGKY-AWEZNQCLSA-N 346.408 2.481 30 50 EEEA CCOC(=O)[C@H]1C(=O)C=C(N2CCOCC2)C[C@H]1c1ccccc1 227658 GNBGVXYUAWIXRL-FUHWJXTLSA-N 329.396 2.138 30 50 EEEA Cn1nccc1[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 110576904 LYJMHOOIWCBDMV-LPHOPBHVSA-N 349.438 2.277 30 50 EEEA CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2sccc2C#N)cn1 328626295 LNNWHCDUIWOXQR-UONOGXRCSA-N 330.413 2.486 30 50 EEEA N#Cc1nccnc1N1CCC[C@]2(CCc3c(O)nc(C4CC4)nc32)C1 1857713704 DOCGTHMVQLPVSZ-IBGZPJMESA-N 348.410 2.206 30 50 EEEA C#CCOc1c(Br)cc(CN[C@H](CC)CO)cc1OC 2890545 PJSBGIDOOWNTTL-GFCCVEGCSA-N 342.233 2.330 30 50 EEEA COc1cccc(N2CCN(C(=O)c3cccc(C#N)c3)CC2=O)c1 82160549 ZGFOVDXRMUQBOR-UHFFFAOYSA-N 335.363 2.056 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)o1 584890487 IWEQPNLZFRTWMX-CYBMUJFWSA-N 327.384 2.145 30 50 EEEA CC(C)Cn1nccc1C(=O)N1CCc2c(sc(N)c2C#N)C1 1413735971 DZAKPNALSURAIS-UHFFFAOYSA-N 329.429 2.253 30 50 EEEA CC(C)c1noc([C@H](Nc2cnc(C#N)cn2)C2CCOCC2)n1 275386420 PFAFWJHMPHWNDO-CQSZACIVSA-N 328.376 2.434 30 50 EEEA N#CCC1(O)CN(C(=O)CSc2cccc(Br)c2)C1 170601786 OOYMBTPZYVCLST-UHFFFAOYSA-N 341.230 2.028 30 50 EEEA N/C(=N\OC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 5059977 HOBJQBNVKJSVOR-UHFFFAOYSA-N 349.730 2.491 30 50 EEEA CC(C)Cn1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cn1 181530007 HLMRLSMJIQFWFY-AWEZNQCLSA-N 326.404 2.347 30 50 EEEA CC1(C)CC(=O)C=C(C(=O)N2CCO[C@H](Cc3cccc(F)c3)C2)O1 14959294 QFVNOIROYFKEDR-MRXNPFEDSA-N 347.386 2.248 30 50 EEEA N/C(=N\OC(=O)COc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 4551660 RBAZIMXNXLZTJH-UHFFFAOYSA-N 349.730 2.491 30 50 EEEA CCN(CC)CCN1CC(=O)C(c2nc3ccccc3s2)=C1N 8844122 URFORDOGKXPRGV-UHFFFAOYSA-N 330.457 2.150 30 50 EEEA C=CCN1C[C@H]2CN(C(=O)c3cc(C(C)C)oc3C)C[C@@]2(C(=O)O)C1 248004663 GWNTXFPYHBHICN-LIRRHRJNSA-N 346.427 2.356 30 50 EEEA N#Cc1c[nH]c2c(C(=O)Nc3cnn(C[C@H]4CCCN4)c3)cccc12 2325779074 FDSINXNSLVITKR-CYBMUJFWSA-N 334.383 2.240 30 50 EEEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 4866726 NEECLHXXSIOOAS-UHFFFAOYSA-N 346.408 2.412 30 50 EEEA CSc1ncc(C#N)c(N2CCC(OCCCN(C)C)CC2)n1 252507013 WFCDFXHCBZNYSR-UHFFFAOYSA-N 335.477 2.007 30 50 EEEA CCN1CCN(c2cccc(N=C(O)N3CCCOCC3)c2)CC1 328588392 DVVWVEXJWJJPCQ-UHFFFAOYSA-N 332.448 2.096 30 50 EEEA Cc1ncc(N=C(O)N2CCC[C@H](Cn3ccnn3)C2)c(C2CC2)n1 328588497 QXFICFPMHXMSAH-ZDUSSCGKSA-N 341.419 2.212 30 50 EEEA Cc1nc(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)ccc1C#N 282678995 WPRLXOIKESLWPP-NVXWUHKLSA-N 325.343 2.349 30 50 EEEA N#C[C@H]1CN(C(=O)c2ccc(OCC3CC3)cc2)CCN1C1CC1 370991825 LPPVGTMQPBOMDO-KRWDZBQOSA-N 325.412 2.288 30 50 EEEA N#Cc1c(N)nc2c(c1-c1ccc(-n3cccn3)cc1)C[C@@H](N)CC2 71753553 PBMFFWHZCHDVGA-ZDUSSCGKSA-N 330.395 2.204 30 50 EEEA C=CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C 455030 XLRJRMNHIHNRFB-UVTDQMKNSA-N 328.324 2.453 30 50 EEEA CC1(C)OB(c2ccc(OCCCN3CCOCC3)cc2)OC1(C)C 169809943 CNKVMMVQJAQTCV-UHFFFAOYSA-N 347.264 2.087 30 50 EEEA CCc1cccnc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 378337924 UOKUNJHSCDBUSB-GOSISDBHSA-N 334.423 2.494 30 50 EEEA C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@H](C)[C@H](O)[C@H]3[C@H]1O)C2(C)C 822218743 SDBITTRHSROXCY-NOGJIQAUSA-N 334.456 2.233 30 50 EEEA biogenic N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2cncc(F)c2)c1 376741109 DDZMSLFARSXYQI-INIZCTEOSA-N 338.342 2.222 30 50 EEEA N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cnc3c(c1)C(=O)CCC3)C2 1875271765 FASBLBGCVGBZBL-INIZCTEOSA-N 331.375 2.369 30 50 EEEA N#Cc1c[nH]c2ccccc2c1=NCc1nnc([C@H]2CCCOC2)o1 886079400 VXJZRMLRWHPJON-LBPRGKRZSA-N 335.367 2.417 30 50 EEEA C=C(CNC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1)c1ccccc1 894850225 VYBMDYGFNOESEA-KRWDZBQOSA-N 348.468 2.309 30 50 EEEA CS(=O)(=O)C1(CNc2ccc(Br)cc2C#N)CC1 280225527 HJXRUAWTLANQCH-UHFFFAOYSA-N 329.219 2.310 30 50 EEEA C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]1(CCCC(C)(C)[C@H]1C=O)COC3=O 1772820448 KIJKAQHLSSAHOL-RXZJUDABSA-N 346.423 2.067 30 50 EEEA N#Cc1ccnc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)c1 1857667796 YJKFXDGJHOCDDF-IBGZPJMESA-N 334.379 2.207 30 50 EEEA N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCCOC3)C2)c(F)c1 253423988 VIIKGRZKQJPOKQ-LSDHHAIUSA-N 331.391 2.209 30 50 EEEA COCCCN1CC2(CCN(Cc3ccccc3C#N)CC2)CC1=O 95381497 GEUKAVDYQQQSTD-UHFFFAOYSA-N 341.455 2.409 30 50 EEEA COc1cccc(C=NN2CCN(c3ccccn3)CC2)c1OC 244723916 MKAWJSXWJFAGFT-UHFFFAOYSA-N 326.400 2.255 30 50 EEEA C=C(C)Cc1cccc(C(=O)OC)c1OCc1nnc2n1CCOC2 408525213 PMMTVQBDQJJXCX-UHFFFAOYSA-N 343.383 2.293 30 50 EEEA Cc1c(S(=O)(=O)N2C[C@H]3C[C@@H](O)[C@H]3C2)sc2ccc(C#N)cc12 1772818368 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C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc2c1CCC2 155590157 XTICNWCZARFROH-AWEZNQCLSA-N 347.422 2.188 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 16606760 LPGQXNYRZOXPBP-ZIAGYGMSSA-N 336.457 2.269 30 50 EEEA Cc1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)NCc2ccco2)on1 328629264 IBQXCBVZYDFDCL-STQMWFEESA-N 336.367 2.192 30 50 EEEA Cc1nc(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)cs1 218961997 YSZMTRMDMMTTKJ-GDBMZVCRSA-N 343.408 2.290 30 50 EEEA Cc1nc(CN2CCC[C@@H](N=c3c(C#N)c[nH]c4ccccc34)C2)no1 371078942 WSSLKYGDDYWMQN-OAHLLOKOSA-N 348.410 2.296 30 50 EEEA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1C[C@@H]31 239125214 KCZFLFYOLLDLKV-FMTAVQCISA-N 343.364 2.043 30 50 EEEA COCC(=O)Nc1ccc(NC(=O)c2cc(C#N)cn2C)cc1C 952967896 IXQOFYVINWQWPF-UHFFFAOYSA-N 326.356 2.042 30 50 EEEA C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC[C@@H](COC)C1 952961203 XFVVKPNZUAULFK-CQSZACIVSA-N 344.502 2.339 30 50 EEEA CN1C(=O)CC[C@@H](NC2CCC(C)(C#N)CC2)[C@@H]1c1nccn1C 886093725 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Cc1c(CNC2CCN(c3ccc(C#N)cn3)CC2)cc(C#N)n1C 237801678 LPJUCWLRTQVNOV-UHFFFAOYSA-N 334.427 2.230 30 50 EEEA CC(C)n1cc([C@]2(O)CCN(c3ccc(C#N)c(Cl)c3)C2)nn1 284478177 IWLHWJJOFIBLFZ-INIZCTEOSA-N 331.807 2.482 30 50 EEEA CN(C)c1nc(O)cc([C@@H]2CCN(c3nccc(C#N)c3Cl)C2)n1 888099410 YHUGTAMVVTYMLL-LLVKDONJSA-N 344.806 2.162 30 50 EEEA CN(Cc1nccs1)[C@H]1CC12CCN(c1nccnc1C#N)CC2 275879921 YRVIQUVJULVJQD-AWEZNQCLSA-N 340.456 2.296 30 50 EEEA O=C(OCC#Cc1cccc(Cl)c1Cl)C1(O)CCOCC1 2325780600 ADBLMHZQYHDQBT-UHFFFAOYSA-N 329.179 2.430 30 50 EEEA Cc1cc(/C(O)=N/[C@H](c2nc(C)no2)C2CCOCC2)cc(O)n1 328612768 PUNJZTDORPFGPF-AWEZNQCLSA-N 332.360 2.260 30 50 EEEA CCCn1cc(N=C(O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)cn1 328633321 SLWNWBWYHQXIJB-CYBMUJFWSA-N 348.407 2.419 30 50 EEEA COCCCN1CC[C@H](CNC(=O)Nc2ccc(C#N)cc2F)C1 96151131 KWBISRIAFYMTLD-CQSZACIVSA-N 334.395 2.177 30 50 EEEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 408515527 CNFPLWVCLBLFJP-XHSDSOJGSA-N 338.448 2.152 30 50 EEEA 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C[C@@]1(C2CCN(c3c(Cl)cccc3C#N)CC2)NC(=O)NC1=O 374210472 UZXJJVCKUCWLTA-INIZCTEOSA-N 332.791 2.026 30 50 EEEA N#CC1(c2ccccn2)CCN(C(=O)[C@H](O)C2CCCCC2)CC1 374358655 DUCUGUJATSZLBM-QGZVFWFLSA-N 327.428 2.407 30 50 EEEA C#CC1(O)CCN(C(=O)NCCCCN(C)c2ccccc2)CC1 952878239 BNWZPIDXNOQYLG-UHFFFAOYSA-N 329.444 2.073 30 50 EEEA Cc1cc(CN=c2ccc([N+](=O)[O-])c(C#N)[nH]2)cc(N2CCCC2)n1 1875260439 AUWAPLTVDSYTGN-UHFFFAOYSA-N 338.371 2.199 30 50 EEEA C[C@@H]1CN(Cc2cc(C#N)n(C)c2)C[C@H](c2nc(C3CC3)no2)O1 886027160 KTZUNORPIRQOHP-IAQYHMDHSA-N 327.388 2.119 30 50 EEEA C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C 112603 HRBGWBHQCYXSMT-LCYFTJDESA-N 329.352 2.259 30 50 EEEA N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1cccnc1 5094590 XWTYVQMMOGMPPY-UHFFFAOYSA-N 327.365 2.261 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccc(F)cc1 13152754 OWWUNWWEYSRQAA-UAKXVISKSA-N 331.343 2.081 30 50 EEEA N#Cc1cccc(OCC(=O)Nc2ccc(Br)nc2O)c1 170611635 YGEWTSFVDPBIGJ-UHFFFAOYSA-N 348.156 2.439 30 50 EEEA C=C(C)CN(C)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O 12003277 AEEHVLDWDUDUFK-SFHVURJKSA-N 338.398 2.326 30 50 EEEA C[C@@H](CN(C)C(=O)c1nccc2[nH]ccc12)Nc1ncccc1C#N 1120725474 PZYMPXFCSZXRIY-LBPRGKRZSA-N 334.383 2.402 30 50 EEEA CCc1ncc(/C(O)=N/[C@@H]2CCCN(c3nccnc3O)C2)s1 328635391 NJBGZBFNUQQDPW-SNVBAGLBSA-N 333.417 2.175 30 50 EEEA N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](c3ccon3)C2)c(F)c1 1875279031 UVHTVMOXEOJURZ-SNVBAGLBSA-N 339.323 2.003 30 50 EEEA C#CCOc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)cc1 408520436 FDSVLLICUSCFEI-MAUKXSAKSA-N 339.395 2.082 30 50 EEEA COC(=O)[C@@H](OC(=O)c1c(F)cc(N)cc1F)c1cccc(C#N)c1 751666338 ILJLQGIQTIVHED-HNNXBMFYSA-N 346.289 2.490 30 50 EEEA Cc1ncc2c(c1C#N)CCN(C(=O)c1ccc3sc(=N)[nH]c3c1)C2 1857716723 FFKXCOLPBBCSIB-UHFFFAOYSA-N 349.419 2.482 30 50 EEEA CO[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 225711856 QYLAWDOHDQAYNQ-WDEREUQCSA-N 348.346 2.423 30 50 EEEA COC[C@H](/N=C(/O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 328631688 RHUWCJKSGUKECE-BZSNNMDCSA-N 346.475 2.345 30 50 EEEA CCOC(=O)NC(=O)/C(C#N)=N/Nc1cccc(C(F)(F)F)c1 3129152 ABFCYVFMVBTIJS-KEBDBYFISA-N 328.250 2.270 30 50 EEEA N#Cc1c(N)nc2c(c1-c1cn(CC(=O)O)c3ccccc13)COCC2 72148633 KNOZCHCOCNMZFN-UHFFFAOYSA-N 348.362 2.314 30 50 EEEA CCCN1CC(=O)N([C@@H]2CCCN(c3ccccc3C#N)C2)C1=O 372964645 KONVYZPOKVPYKH-OAHLLOKOSA-N 326.400 2.201 30 50 EEEA C=CCN1C[C@@H](C(=O)N(CC)CCOc2ccc(C)cc2)CC1=O 952961131 NGPAEXQWABHQRO-INIZCTEOSA-N 330.428 2.257 30 50 EEEA CNc1ccc(C#N)cc1NS(=O)(=O)c1cccc(C(=O)OC)c1 408515629 KAMSDIPYQXOSSM-UHFFFAOYSA-N 345.380 2.187 30 50 EEEA C#C[C@@H](NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)[C@H]1CCOC1 170609740 UKIANJJRTJKMSY-XJKSGUPXSA-N 342.374 2.480 30 50 EEEA C=CCn1c(CNC(=O)c2cccc(OC)c2OC)nnc1SC 12204898 YUMOBPMPLPDBAM-UHFFFAOYSA-N 348.428 2.133 30 50 EEEA C=CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)C(=O)NC1=S 16511212 CLHOMIRRHFTDEW-QINSGFPZSA-N 343.452 2.346 30 50 EEEA CCn1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)c(C)n1 20607159 SWERJGBBUJBWAW-HNNXBMFYSA-N 326.404 2.461 30 50 EEEA CC[C@@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C#N)C1 20581433 SOINWEPNXJHKQT-GFCCVEGCSA-N 333.457 2.405 30 50 EEEA CCn1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)n1 5728189 MLNPGAFNRQNWKQ-INIZCTEOSA-N 329.400 2.352 30 50 EEEA C[C@H]1CN(C(O)=Nc2cnc3c(c2)CCCC3)CCN1CC(C)(C)O 328605576 JSOQCKVCVLAISJ-AWEZNQCLSA-N 346.475 2.283 30 50 EEEA CCn1c([C@H]2OCC[C@H]2C)nn(CCOc2ccccc2C#N)c1=O 328655441 YKTFISXIAWYPPJ-CJNGLKHVSA-N 342.399 2.113 30 50 EEEA Cn1ccnc1[C@@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)C1CC1 244626599 FOUFQBTVNJULJU-KRWDZBQOSA-N 337.423 2.424 30 50 EEEA C=C(C)CN(CC)c1nnnn1CC[C@@H]1CCC2(CCOCC2)CO1 952879140 NUTFZXFGLOEPMF-INIZCTEOSA-N 349.479 2.441 30 50 EEEA CC(=O)N1CCC(N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 236614064 SQBBDFWAYWNANE-KRWDZBQOSA-N 344.434 2.267 30 50 EEEA COC1CCN(c2cc(C)nc(N3CCC(OC)CC3)c2C#N)CC1 408518364 DDPOHPDIJSBRGJ-UHFFFAOYSA-N 344.459 2.492 30 50 EEEA Cc1cccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1C#N 186542662 IQSBZLLVOHMKGZ-UHFFFAOYSA-N 344.318 2.426 30 50 EEEA C#CC[C@@H](NC1CCN(c2ccc(C(C)(C)C)cc2)CC1)C(N)=O 170079548 MSIACFBAGMYEBX-GOSISDBHSA-N 327.472 2.420 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 16606767 LPGQXNYRZOXPBP-OKILXGFUSA-N 336.457 2.269 30 50 EEEA C#CCCC1(CCNC(=O)CC2(n3cccc3)CCOCC2)N=N1 2325887505 XOUBBRDZKHVYEU-UHFFFAOYSA-N 328.416 2.466 30 50 EEEA CN(C)N1C(=O)C[C@@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O 1430766 RPZAXJXWEBLCNQ-LBPRGKRZSA-N 328.368 2.215 30 50 EEEA COC(=O)[C@H]1C(=O)/C(=C/Nc2ccc(OC)cc2)C(=O)CC1(C)C 100318943 VBTRBPYMJUEVAN-NRMKIYEFSA-N 331.368 2.348 30 50 EEEA N#Cc1ccccc1C(=O)NCC[C@@H]1CN(Cc2ccco2)CCO1 67841960 MBHYAIQLGCZYQP-QGZVFWFLSA-N 339.395 2.172 30 50 EEEA CS(=O)(=O)C1(CNc2ccc(C#N)cc2Br)CC1 280434757 KAYLEINMCHKSEJ-UHFFFAOYSA-N 329.219 2.310 30 50 EEEA CC[C@H]1CN(C(=O)c2ccc(C#CC(C)(C)O)o2)CCN1C(C)C 67855577 RPLMKKGXXDIYNS-HNNXBMFYSA-N 332.444 2.347 30 50 EEEA N#Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cccs2)c[nH]1 352834300 WRZNCWUFZFJTCM-JSGCOSHPSA-N 332.404 2.290 30 50 EEEA C[C@H](NC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)c1ccc(C#N)cc1 230156964 WYXFDFWRKCRAKM-APHBMKBZSA-N 326.400 2.072 30 50 EEEA CCO[C@@H]1C[C@@H](/N=C(/O)C(C)(C)N2CCOCC2)C12CCOCC2 328586390 KXUKYFKFAANZKM-HUUCEWRRSA-N 340.464 2.028 30 50 EEEA COC(=O)c1sc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C#N)c1C 17067675 KUKOXFGXHCJLLG-UWVGGRQHSA-N 330.365 2.170 30 50 EEEA Cc1nc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)ccc1C#N 375014281 APSPCFABOLNBKS-SFHVURJKSA-N 325.343 2.135 30 50 EEEA CC(C)c1noc([C@@H](NC(=O)c2c[nH]c(C#N)c2)C2CCOCC2)n1 275600387 KDRNYRNVEBTUNA-AWEZNQCLSA-N 343.387 2.290 30 50 EEEA CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ncccn2)c1 155158193 RXOWWLGFEZERDG-UHFFFAOYSA-N 348.366 2.330 30 50 EEEA COc1nccc(N2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3=O)c1C#N 95383113 QGGHZJXJWVYRAC-LSDHHAIUSA-N 340.427 2.355 30 50 EEEA C=CCOc1ccccc1NC(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2C 299788031 VRHVOQAZDPSCCY-KGLIPLIRSA-N 329.400 2.336 30 50 EEEA N#CC1(C2CCC2)CCN(C(=O)[C@@H](Cc2ccsc2)NC=O)CC1 1875322521 VRDIYPYALPYTBK-MRXNPFEDSA-N 345.468 2.338 30 50 EEEA COc1ccc(N/C(O)=N/S(=O)(=O)c2cccs2)c(OC)c1 71769443 KKRXFBNMQPLDOP-UHFFFAOYSA-N 342.398 2.480 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(c3cccnc3)CC2)cc1 952974550 WATVHLVBCHTZNK-UHFFFAOYSA-N 349.434 2.166 30 50 EEEA C[C@H]1CCc2nc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)sc2C1 1646126960 ZADRLJCORQWQQC-WCQYABFASA-N 345.472 2.472 30 50 EEEA NC(=O)C1CCN(C(=O)c2cccc(C#Cc3ccccc3)c2)CC1 229435 BADGEKLDZMXLKN-UHFFFAOYSA-N 332.403 2.424 30 50 EEEA CN(C)N1C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 1422729 QRRPMWJGFVIYQF-ZDUSSCGKSA-N 329.356 2.394 30 50 EEEA CS(=O)(=O)/N=C(/O)CC/N=C(/O)[C@@H]1CCCc2sccc21 328586277 NSFUBLJAXWSWEW-SNVBAGLBSA-N 330.431 2.431 30 50 EEEA C[C@H](Cc1ccc(O)c(O)c1)/N=C(/O)C1(N2CCOCC2)CCC1 328589006 XDKHCXNIZNNBOY-CYBMUJFWSA-N 334.416 2.240 30 50 EEEA CSC[C@H](C)N/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1 328625888 DQOTWJNSGVFGGC-SRVKXCTJSA-N 346.497 2.311 30 50 EEEA O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)Nc1cccnc1 328629635 IKVRWVBIPIYXFW-AAEUAGOBSA-N 335.408 2.477 30 50 EEEA N#Cc1cccc(S(=O)(=O)N2CCCC[C@H]2CCn2cccn2)c1 77408065 GHPZAAAMMGUBDV-INIZCTEOSA-N 344.440 2.388 30 50 EEEA C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@H]([C@H](O)CO)CC[C@H]12 254738595 DCMCEXCRUWBAFV-CCOGIYSMSA-N 348.483 2.459 30 50 EEEA CCn1cc([C@@H]2OCCC[C@H]2CNC(=O)c2ccc(C#N)n2C)cn1 888076711 LTSGBYHUJJRNGU-SUMWQHHRSA-N 341.415 2.011 30 50 EEEA C=CCN[C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 14753523 FCVBFGIDDWKCGS-LBPRGKRZSA-N 330.457 2.045 30 50 EEEA N#Cc1cnn2c(=O)nc(SC[C@@H]3CC[C@@H]4[C@H](C3)C4(F)F)[nH]c12 2325783530 DPKRAYJFNHVEJE-QNSHHTMESA-N 337.355 2.063 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ncc(C#N)cc2Cl)C1 328613282 RKQWKNSQPVVDGN-OAHLLOKOSA-N 346.778 2.380 30 50 EEEA N#Cc1cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)ccn1 239367176 AHXUGEROWWRCLQ-UHFFFAOYSA-N 331.379 2.397 30 50 EEEA Cc1cc(CN2CCN(c3nc4c(cc3C#N)CCCC4)CC2)on1 291526889 ZBIQOWWZQUJFIG-UHFFFAOYSA-N 337.427 2.451 30 50 EEEA Cc1ccc(C#N)c(N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)n1 886027970 KODGAGUVUOQTDR-GOSISDBHSA-N 337.427 2.376 30 50 EEEA CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 275506119 ARLHNPOOEUTIFO-RHSMWYFYSA-N 343.475 2.434 30 50 EEEA COc1cccc(/C=N/n2c(S)nnc2-c2cccnc2)c1O 1302304 DNSHYVDZUXICDI-RQZCQDPDSA-N 327.369 2.225 30 50 EEEA C[C@H]1CCCN(c2cc(C#N)c(B3OC(C)(C)C(C)(C)O3)cn2)C1 169992805 YZKJBUYQXOFLCF-ZDUSSCGKSA-N 327.237 2.489 30 50 EEEA COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 1875246869 DAAFALWSXRNVIC-AWEZNQCLSA-N 340.383 2.221 30 50 EEEA Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 367372682 UECNJUJHLIXXDL-KRWDZBQOSA-N 337.427 2.352 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)N=N1 2325887298 DMZCOEJWUSIHNV-UHFFFAOYSA-N 349.394 2.038 30 50 EEEA CC(C)[C@@H](O)C/C(O)=N/[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 328607320 VMOGHBHZNKKMSV-MJBXVCDLSA-N 338.452 2.353 30 50 EEEA Cn1c(O)nnc1[C@H]1[C@@H](C2CC2)CCN1c1nccc(C#N)c1Cl 1875399926 MHCOWQNQXJBWSZ-DGCLKSJQSA-N 344.806 2.418 30 50 EEEA C=CCN1CCC(NC(=O)NCc2c(C)nc3ccccn23)CC1 892857720 HIVOPMNHCPPMMG-UHFFFAOYSA-N 327.432 2.092 30 50 EEEA O=C(C#C[C@H]1CCCOC1)N1CCN(c2cc(Cl)ccc2O)CC1 2325797020 SNOBARCIRMZCCI-CQSZACIVSA-N 348.830 2.124 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)N=N1 2325891611 QLGJYVDOMFJDKW-HUUCEWRRSA-N 325.368 2.373 30 50 EEEA C#CCCC1(CCC(=O)N2C[C@H](C3CC3)[C@@](F)(C(=O)OC)C2)N=N1 2325892962 XAFKNKOAMQMXNF-CXAGYDPISA-N 335.379 2.092 30 50 EEEA N#Cc1c[nH]c(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c1 175780509 MRRJHLJCVMLRLA-CYBMUJFWSA-N 342.786 2.465 30 50 EEEA C#CCSCCNC(=O)c1cccc([N+](=O)[O-])c1Br 192355318 QSWDANLIHVXACJ-UHFFFAOYSA-N 343.202 2.454 30 50 EEEA COc1ccc(CCN2CC(=O)C(c3ccccc3)=C2N)cc1OC 4856013 ZEZZUFOWSVYHSN-UHFFFAOYSA-N 338.407 2.459 30 50 EEEA C=CCN1CCN(C(=O)COc2ccccc2Br)CC1 20160922 DSKMGIDYQLIRQU-UHFFFAOYSA-N 339.233 2.158 30 50 EEEA Cn1cc(/C(O)=N/Cc2ccc(C#N)cc2F)c([C@H]2CCOC2)n1 328624684 JZEGGPYHVBCRDQ-ZDUSSCGKSA-N 328.347 2.440 30 50 EEEA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(c2ccc(C#N)c(Cl)c2)C1 284485353 JJXORAFLHMAYGC-HOCLYGCPSA-N 333.819 2.428 30 50 EEEA C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC(COC)CC1 952961176 SLYWWPFCMBGKHA-UHFFFAOYSA-N 344.502 2.339 30 50 EEEA O=S1(=O)CC[C@]2(C[C@H](/N=C(/O)c3cccc4cc[nH]c34)CCO2)C1 329212186 HQIXHCBUAIANRM-DYVFJYSZSA-N 348.424 2.209 30 50 EEEA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1ccc(C#N)cc1F 1875314673 LOYARFSTXVCRKR-MNOVXSKESA-N 342.374 2.383 30 50 EEEA O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)[C@H]1C[C@@H]1[N+](=O)[O-] 170591173 RKCHZFQKNQWCHC-IMJSIDKUSA-N 345.142 2.366 30 50 EEEA COc1cccc(C(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c1OC 5013780 TZSKOCOMODZCED-UHFFFAOYSA-N 345.311 2.089 30 50 EEEA C=CC[C@H]1CC=C[C@H](C)N1C(=O)c1ccc(-n2cnnn2)cc1O 216604291 XRGFQNVRMWOSOB-STQMWFEESA-N 325.372 2.103 30 50 EEEA COc1ccc2c(c1)c(C(=O)N1CCn3nc(C#N)cc3C1)c(C)n2C 65397842 YNQQODGTDILLMG-UHFFFAOYSA-N 349.394 2.220 30 50 EEEA CN(Cc1cc(C#N)cs1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 328633236 LXFXXRLBHAXZDF-HOTGVXAUSA-N 345.447 2.454 30 50 EEEA CC(C)n1cc(C#N)c(NC(=O)c2cnc(OCC3CC3)cn2)n1 241738545 QYKYWPNMFWBXRI-UHFFFAOYSA-N 326.360 2.167 30 50 EEEA Cc1cccc2nc(CCC(=O)N3CCN(C4CC4)[C@H](C#N)C3)[nH]c12 365887628 XZCQRFUPLCANQO-OAHLLOKOSA-N 337.427 2.003 30 50 EEEA CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1C(=O)NC1CC1 170604686 LDFUMYBXGJDVBS-SFHVURJKSA-N 328.416 2.045 30 50 EEEA CC(C)[C@@H]1CN(C(=O)c2ccc(C#N)nc2)CCC(=O)N1CC1CC1 72146533 AJPFLZBAZXFQTF-KRWDZBQOSA-N 340.427 2.062 30 50 EEEA C=CCc1cc(-c2nccn2[C@H](C)c2nc(O)n[nH]2)cc(OC)c1O 71751468 DDGCDRDMIYCHOT-SNVBAGLBSA-N 341.371 2.426 30 50 EEEA CCCOC[C@@H]1C[C@@]2(S/C(=N/c3ccc(C)cc3)NC2=O)C(=O)O1 17247327 VRJYEHGOYYFFMJ-GUYCJALGSA-N 348.424 2.326 30 50 EEEA N#Cc1cnn2c(O)cc(CN3CCC[C@H]3c3nccs3)nc12 2325771842 UIWMXXJPXRJOGB-LBPRGKRZSA-N 326.385 2.100 30 50 EEEA CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 6268010 AYWSWKRHAVPGEP-UHFFFAOYSA-N 329.381 2.376 30 50 EEEA CC(C)Oc1cc(Br)ccc1/C(O)=N/[C@@H]1CNC(=O)C1 330728838 HHLRVRSRTDQIAL-JTQLQIEISA-N 341.205 2.429 30 50 EEEA C=CCc1c(C)nc(N)nc1N1CCC([C@H](O)c2ccccn2)CC1 91966328 HQKLXXXWSPXJES-KRWDZBQOSA-N 339.443 2.441 30 50 EEEA CCOc1ccc(NC(=O)N2CCO[C@H](CCOC)C2)cc1C#N 299762460 WZCMRBZWWMIJQZ-OAHLLOKOSA-N 333.388 2.226 30 50 EEEA O=C(c1ccco1)N1CCC[C@H](NCc2cc(C#CCO)cs2)C1 952979195 ZLIZZGARJLGBPE-HNNXBMFYSA-N 344.436 2.079 30 50 EEEA COc1cccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c1O 442059 UAJYPBXQBLFJLK-CXUHLZMHSA-N 340.788 2.367 30 50 EEEA C=CCNc1ncnc2sc(C(=O)N3CCC[C@@H](O)C3)c(C)c12 11870866 UGVIPYPNSRGMFU-LLVKDONJSA-N 332.429 2.195 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)c2cc(OC)cc(OC)c2)cc1 4318663 LMHKJOGHCPXWAK-UHFFFAOYSA-N 330.340 2.190 30 50 EEEA biogenic CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1 2546507 IJUNWOQSTPAYLS-CXUHLZMHSA-N 347.400 2.448 30 50 EEEA COCCC(=O)N1CCC(/N=C(/O)N(C)[C@@H](C)c2cccnc2)CC1 331114745 MSJNGCZNMQUVTC-AWEZNQCLSA-N 348.447 2.016 30 50 EEEA CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCc1cnn(C)n1 822849834 MXJRIRJDXBZNPD-UHFFFAOYSA-N 325.416 2.304 30 50 EEEA CO[C@@H]1CC[C@@H]1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 2325804339 HBSBCOILHALYFV-CRAIPNDOSA-N 327.428 2.458 30 50 EEEA O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 4738075 ZZLUSLRYGSCJKP-WFSQQTBHSA-N 344.352 2.352 30 50 EEEA C[C@H](C#N)CN(C)S(=O)(=O)NCCCc1cccc(Cl)c1 282720786 RRRMQJYMGYSAFO-GFCCVEGCSA-N 329.853 2.198 30 50 EEEA N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1cccc2[nH]ccc12 163737951 FPPOQKHKGJTHTR-UHFFFAOYSA-N 347.378 2.444 30 50 EEEA N#Cc1ccncc1N1CC[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 864312170 TUUSZQZGYJVHIK-CQSZACIVSA-N 336.399 2.043 30 50 EEEA Cc1cc(C#N)nc(NC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n1 886080430 XURFZKQUMAXPNK-CJNGLKHVSA-N 326.404 2.197 30 50 EEEA CCc1cnc(CN(C(C)=O)[C@@H]2CCN(c3ncccc3C#N)C2)o1 375879460 YWKIVFLPBLYKLX-OAHLLOKOSA-N 339.399 2.131 30 50 EEEA C#CCCC1(CCC(=O)NCC2(N3CCCCC3)CCOCC2)N=N1 2325892120 ADWVWANUPPXVGC-UHFFFAOYSA-N 346.475 2.493 30 50 EEEA COC[C@H](/N=C(/O)[C@@H]1CCCO[C@H]1c1ccnn1C)[C@@H]1CCCO1 328943791 AMZZYGPCWWHKIN-BFJAYTPKSA-N 337.420 2.038 30 50 EEEA CN1CCN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)C[C@@H]1CCO 426628347 VZLBKAJIPBPOHH-FQEVSTJZSA-N 349.434 2.364 30 50 EEEA N#C[C@H]1COCCN1C(=O)Cc1cc(Cl)ccc1Br 178280117 SBRUDWZDIJTDKK-NSHDSACASA-N 343.608 2.396 30 50 EEEA C=CCN1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@@H]2C(=O)OC 169700666 GGLBCXOVAQTRIJ-DCGLDWPTSA-N 348.424 2.010 30 50 EEEA Cc1cc(F)cc(S(=O)(=O)Nc2cc(C)nc3c(C#N)cnn23)c1 2325868811 LZVNMMQHGFNKKP-UHFFFAOYSA-N 345.359 2.158 30 50 EEEA C=CCN1C[C@@H](C(=O)N(CC)CCOc2ccccc2F)CCC1=O 55387467 JCKRQTIGZMIIJZ-HNNXBMFYSA-N 348.418 2.478 30 50 EEEA Cn1cc(CNC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)cc1C#N 886093706 DBTNWIPNYJDJFT-ZFWWWQNUSA-N 327.388 2.025 30 50 EEEA N#Cc1ccccc1C(=O)N[C@H]1CCOC[C@@H]1OCc1cscn1 1565507334 QBTNXCOPPFPRNP-HOTGVXAUSA-N 343.408 2.119 30 50 EEEA N#Cc1ccc(OC[C@H]2CN(NC(=O)c3ccccc3)C(=O)O2)cc1 170619030 AFWQUGSLDXMNLS-MRXNPFEDSA-N 337.335 2.103 30 50 EEEA C#CCCC1(CCC(=O)NCCc2nc(-c3ccccc3)n[nH]2)N=N1 2325892564 RRWNVLHDQVMYIL-UHFFFAOYSA-N 336.399 2.486 30 50 EEEA CC(=O)ON1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 47418 RDEPFWDLDPALOY-OPQOLIRYSA-N 333.343 2.357 30 50 EEEA C=CCN(C(=O)c1ccc(OCC(=C)C)cc1)[C@@H]1CCS(=O)(=O)C1 55405052 VLMIOBLKRDNEIY-MRXNPFEDSA-N 349.452 2.457 30 50 EEEA COCc1cc(N=C(O)N2CCCC[C@H]2c2ccnn2C)ncn1 328587752 GURVFPZKYYRQBW-AWEZNQCLSA-N 330.392 2.129 30 50 EEEA Cc1noc([C@@H](/N=C(/O)c2ccc3nn[nH]c3c2)C2CCOCC2)n1 328610463 HXTISGQRLIIPIY-AWEZNQCLSA-N 342.359 2.122 30 50 EEEA CC(=O)Oc1ccc(C2=N/C(=C/c3cc(C#N)n(C)c3C)C(=O)O2)cc1 170620569 RJRGJEZYRAXCDJ-RQZCQDPDSA-N 349.346 2.475 30 50 EEEA C#CCOc1ccccc1NC(=O)N1CCNC(=O)[C@H]1c1ccccc1 188052093 YUDSGDHJCIGCHG-GOSISDBHSA-N 349.390 2.404 30 50 EEEA COc1ccccc1N1CCN(/N=C/c2ccc(O)c(O)c2)CC1 232165 DNVXABBKUHQVDA-CPNJWEJPSA-N 327.384 2.263 30 50 EEEA COCc1ccccc1/C(O)=N/C1CC(N(CC(=O)O)CC2CC2)C1 328634369 MRUHMQNDILYVJJ-UHFFFAOYSA-N 346.427 2.465 30 50 EEEA N#Cc1ccccc1OCC(=O)N1CCN(c2cccs2)CC1 156586703 JPOITZCXYQHEMI-UHFFFAOYSA-N 327.409 2.347 30 50 EEEA CCN1C[C@@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)CC1=O 91626323 FBZZXJOVWGXISD-KRWDZBQOSA-N 325.412 2.133 30 50 EEEA OCC#Cc1csc(CN2CCCO[C@H](CN3CCCCC3)C2)c1 828644555 DMXOGIWVGICPPW-GOSISDBHSA-N 348.512 2.169 30 50 EEEA Cc1ncsc1CN(C)C[C@H]1CCN(c2cnc(C#N)cn2)C1 190444617 CSLSHBPZJGRBTF-CYBMUJFWSA-N 328.445 2.072 30 50 EEEA O=C1Nc2ccc(F)cc2/C1=N/Nc1nnc2c(n1)[nH]c1ccccc12 16671813 HHDVWSKPNKUSCE-UHFFFAOYSA-N 347.313 2.414 30 50 EEEA O=C1CSC(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])o3)cc2)=N1 2546627 JBBGZNGOESDXJA-VIZOYTHASA-N 330.325 2.408 30 50 EEEA OC(=Nc1c[nH]nc1-c1nccs1)N1CCC[C@@H](n2cncn2)C1 328598716 NWHAEPZXSYMCPC-SNVBAGLBSA-N 344.404 2.007 30 50 EEEA C=CCOc1ccc(C(=O)N(CCC(N)=O)C(C)C)cc1OCC 55415095 YWJMSTFTYQDZPW-UHFFFAOYSA-N 334.416 2.376 30 50 EEEA COc1nc2ccn(CCCNc3cccnc3)c(=O)c2cc1C#N 67955234 VNOQNQYPTRPEKU-UHFFFAOYSA-N 335.367 2.174 30 50 EEEA C#Cc1cccc(NC(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)c1 120544025 BOJMDDMXWQNWQP-UHFFFAOYSA-N 336.273 2.004 30 50 EEEA C#CCCCS(=O)(=O)Nc1c(C)nn(C)c1Oc1cccnc1 328594312 AASPQFRZXBVYEH-UHFFFAOYSA-N 334.401 2.071 30 50 EEEA CCN1CCN(C(O)=Nc2ccc(C)nc2)C[C@@H]1c1nccn1C 328640906 XOCAEBLKYRUMMK-OAHLLOKOSA-N 328.420 2.048 30 50 EEEA N#Cc1c(N)nc2c(c1-c1ccsc1)c(=O)nc1sccn12 19933159 JPYYTUSLNQEUCA-UHFFFAOYSA-N 325.378 2.487 30 50 EEEA Cc1ccnc(C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1 758577192 GCKFFJMWCKVKDF-UHFFFAOYSA-N 342.424 2.225 30 50 EEEA Cc1ccnc(N=C(O)N[C@H](c2nc(C)no2)C2CCOCC2)c1 328619912 GKMVXUAEOPRIOT-AWEZNQCLSA-N 331.376 2.384 30 50 EEEA N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 376069461 RLEAHWBSOSQAPA-HNNXBMFYSA-N 344.802 2.208 30 50 EEEA CN1CCC(Cc2noc(-c3ccc(C#CC(C)(C)O)o3)n2)CC1 67818264 FNSVGOMPFLOBBS-UHFFFAOYSA-N 329.400 2.336 30 50 EEEA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccccc1C#Cc1ccccc1 67820861 FEWHNFLVCMHDPG-RTWAWAEBSA-N 347.462 2.124 30 50 EEEA C=CCNc1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 65394461 XOLZNXFLJRLLNT-SFHVURJKSA-N 335.407 2.337 30 50 EEEA CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](C)C2)[C@H]1c1cccnc1 384252 VYKBVAGHTAOYHO-QMTHXVAHSA-N 328.368 2.182 30 50 EEEA COc1cc(CN[C@@H]2CCN(c3ncccc3F)C2)ccc1C#N 366930140 PPCMDZSSIDTUEI-OAHLLOKOSA-N 326.375 2.469 30 50 EEEA CN1CCN(C(=O)c2ccc(C#N)s2)C[C@H]1c1nc(C2CC2)no1 328974064 VUTMTHZPKHWTFU-LBPRGKRZSA-N 343.412 2.009 30 50 EEEA CC#CC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 241231094 KRXSXTZKJATXRC-JTQLQIEISA-N 331.725 2.472 30 50 EEEA CC(C)c1noc(CN2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)n1 426628233 KUPWXUWUZCHSBD-ZDUSSCGKSA-N 339.399 2.302 30 50 EEEA N#Cc1ccccc1CN1CCn2nc(CNc3ncccn3)cc2C1 299802655 VBXNKQOTBMQWMR-UHFFFAOYSA-N 345.410 2.173 30 50 EEEA COCCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)c(C)c1 299782207 SKOXMPXQWRPEPM-AWEZNQCLSA-N 344.415 2.139 30 50 EEEA C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 168972629 LSNMWEDSBKMRCC-HZMBPMFUSA-N 327.837 2.102 30 50 EEEA C=CCc1cc(C(=O)N2C[C@@H]3[C@H](CO)[C@H]4CC[C@]3(C2)O4)ccc1OC 1857710963 DLUAGVXHZYQCGZ-IXIUHKBRSA-N 343.423 2.036 30 50 EEEA C[C@H](O)C/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 328606620 SEHIQLWTMMJPNN-RRQGHBQHSA-N 329.400 2.346 30 50 EEEA COc1ccc(C#N)cc1CN1CCN(C2CCOCC2)C[C@@H]1C 365890227 ZSAYBSKGFBAPIE-HNNXBMFYSA-N 329.444 2.252 30 50 EEEA C#CCCC1(CCC(=O)N2CCC(O)(Cc3ccccn3)CC2)N=N1 2325892545 RJSVOARMLINGQV-UHFFFAOYSA-N 340.427 2.333 30 50 EEEA CC1(C)OB(c2ccc(NS(=O)(=O)C3CC3)c(F)c2)OC1(C)C 405170262 SPLQBQLBAPIEOX-UHFFFAOYSA-N 341.213 2.029 30 50 EEEA O/C(=N/CCC1CCN(CC(F)(F)F)CC1)N1C[C@@H]2CC[C@H](C1)O2 328588611 KABDOWVBAQQALC-OKILXGFUSA-N 349.397 2.428 30 50 EEEA COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 331612778 NLFXGDZTBOGFOF-XHSDSOJGSA-N 344.411 2.098 30 50 EEEA N#Cc1c[nH]ccc1=NC(=O)[C@@H]1CCN(c2ccccc2Cl)C1 361855340 OTSGCUKFZINATF-GFCCVEGCSA-N 326.787 2.494 30 50 EEEA CO[C@H]1C[C@@H](CN(C)C(=O)c2ccc(C3(C#N)CC3)cc2)N(C)C1 284722086 SMUONWPGBPEJJC-IRXDYDNUSA-N 327.428 2.033 30 50 EEEA COc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1C 265486242 FEEDVLUSRDZPQI-UHFFFAOYSA-N 336.395 2.233 30 50 EEEA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl 245226608 GNOMRFUOVDBJSR-FRQHFTANSA-N 345.742 2.389 30 50 EEEA O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)[C@@H]1CO1 1875372566 IKOROBSMYVFXEB-CVEARBPZSA-N 328.437 2.363 30 50 EEEA CN1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 15776846 OWJHNCCIYIXONQ-VKAVYKQESA-N 341.283 2.296 30 50 EEEA COC(=O)C[C@@H]1Oc2ccccc2N(Cc2cccc(C#N)c2)C1=O 55360905 HJUIJJHHRYSODK-KRWDZBQOSA-N 336.347 2.416 30 50 EEEA Cc1nc(-c2cccs2)c(CC(=O)ON2C(=O)CCC2=O)s1 245197897 ANWVQPMMUUCKRV-UHFFFAOYSA-N 336.394 2.330 30 50 EEEA C=C(C)C(=O)O[C@H]1CC2=C[C@@H](CC(C)=C[C@H]3OC(=O)C(=C)[C@@H]13)OC2=O 254132121 JMUOPRSXUVOHFE-LVQVYYBASA-N 344.363 2.164 30 50 EEEA N#C[C@H](C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccn1 222139821 VIBYLVXZAJDKHZ-WBVHZDCISA-N 348.406 2.273 30 50 EEEA C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1CCOc1ccccc1C#N 284716643 HJMPNRZIXFSBLK-SCTDSRPQSA-N 330.428 2.189 30 50 EEEA CN(CCC#N)C(=O)CCN1CCO[C@@H](c2ccc(Cl)cc2)C1 131201542 JGLHGYASOUDJJT-MRXNPFEDSA-N 335.835 2.475 30 50 EEEA N#C[C@@H]1COCCN1C(=O)Cc1cc(Cl)ccc1Br 178280129 SBRUDWZDIJTDKK-LLVKDONJSA-N 343.608 2.396 30 50 EEEA CCc1onc(C)c1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 296717936 ATVRDIWFNCQPFO-CYBMUJFWSA-N 341.371 2.497 30 50 EEEA Cc1cc(C#N)cc(N[C@@H]2CCN(c3cnnc(O)c3Cl)C2)n1 897432936 SHSZGHYAVZQKEY-LLVKDONJSA-N 330.779 2.102 30 50 EEEA O[C@](C#CCN1CCOCC1)(c1ccccc1)c1cccc(F)c1 19929012 LAMXGZLYTSWZRB-HXUWFJFHSA-N 325.383 2.397 30 50 EEEA CC(=O)N1CCC(C/N=C(/O)Nc2cn(C)nc2C(F)(F)F)CC1 331325784 OKGGNVANPYATOO-UHFFFAOYSA-N 347.341 2.023 30 50 EEEA COC[C@@H](/N=C(/O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 328631689 RHUWCJKSGUKECE-KSZLIROESA-N 346.475 2.345 30 50 EEEA CN1CCC([C@H]2OCC[C@@H]2C(=O)N(C)Cc2ccc(C#N)cc2)CC1 284606153 ROWFZLUPCXIPKN-RBUKOAKNSA-N 341.455 2.264 30 50 EEEA CN1CCC[C@@H](CCNC(=O)c2ccc(C#CC(C)(C)O)cc2)C1 67673414 OUUKTNROPMYXLQ-KRWDZBQOSA-N 328.456 2.271 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)o1 584890488 IWEQPNLZFRTWMX-ZDUSSCGKSA-N 327.384 2.145 30 50 EEEA C#CCCC1(CCC(=O)NCC2(N3CCCC3)CCOCC2)N=N1 952882684 XGXVRBIVUGCPBU-UHFFFAOYSA-N 332.448 2.103 30 50 EEEA Cc1c([C@@H](C)N2C(=O)N[C@@H](C3CC3)C2=O)cnn1-c1ccc(C#N)cc1 170613999 BIKVMMKPSRCCCG-DIFFPNOSSA-N 349.394 2.444 30 50 EEEA Cc1ccc([C@H](C)/N=C(/O)N2CC[C@H](S(C)(=O)=O)C2)cc1F 330389480 NXUUXERVKSTBLC-AAEUAGOBSA-N 328.409 2.228 30 50 EEEA Cn1ccnc1CN(Cc1ccc(C#N)cc1)[C@@H]1CC12CCNCC2 262098228 IFIGIGIXMDWBJL-GOSISDBHSA-N 335.455 2.436 30 50 EEEA Cc1cc(N2CCC([C@@H](O)c3nccn3C)CC2)nc(C)c1C#N 2356164546 XGKRTABOZRHXMA-QGZVFWFLSA-N 325.416 2.254 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2cc(C)nc(C)c2C#N)C1 328612060 NTYLGFVEZGKGDS-KRWDZBQOSA-N 340.387 2.344 30 50 EEEA CCOc1ccc(NC(=O)N2CC[C@@H](CC(=O)OC)C2)cc1C#N 97499443 APHAZIFXSDWOHR-LBPRGKRZSA-N 331.372 2.374 30 50 EEEA C=C(C)COc1ccc(NC(=O)NCc2nc(COC)no2)cc1 299782659 SXXRNQOLFTZJRR-UHFFFAOYSA-N 332.360 2.493 30 50 EEEA CCOc1ccccc1/C=N/O[C@@H]1CCCN(c2ccn(C)n2)C1=O 170642535 RELRLVFVSLZPAT-CXDFQFJYSA-N 342.399 2.365 30 50 EEEA Cc1cccn2c(=O)c(/C=N/CCO)c(NCc3ccccc3)nc12 2250583 RKLJJLLJFJWUQK-DEDYPNTBSA-N 336.395 2.026 30 50 EEEA O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1CO 118566828 RSDICEAXPOJRDL-AWEZNQCLSA-N 326.318 2.223 30 50 EEEA N#C[C@@H]1CCCN(C(=O)c2cccc(-c3cncc(C(=O)O)n3)c2)C1 426387846 LCTPYBJAVNEAMB-LBPRGKRZSA-N 336.351 2.218 30 50 EEEA Cc1n[nH]c(C)c1CCCNC1CCN(c2cc(C#N)ccn2)CC1 95515401 OYZXBSPYBFJLHM-UHFFFAOYSA-N 338.459 2.484 30 50 EEEA O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1ccccc1 15777245 CCUWHLGKFFJENY-ISLYRVAYSA-N 330.409 2.154 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1 114673414 ZPNMZFPABHANOT-UHFFFAOYSA-N 349.799 2.420 30 50 EEEA COc1ccccc1-c1c(C)[nH][nH]c1=NC(=O)c1ccc(C#N)nc1 2100534653 RRVGBZMJVPVXIZ-UHFFFAOYSA-N 333.351 2.335 30 50 EEEA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl 101021374 GNOMRFUOVDBJSR-QREYSOIOSA-N 345.742 2.389 30 50 EEEA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(CC#N)c1 286593762 ALRBLKWNKBFBMB-OKZBNKHCSA-N 328.412 2.409 30 50 EEEA CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C[C@H](C#N)CCC#N 286742954 KZJLRFARASZTQI-XYJFISCASA-N 328.464 2.178 30 50 EEEA Cc1c(CN2CCCn3nc([C@@H](O)C4CC4)cc3C2)cc(C#N)n1C 223226847 YKITVLUZNSGBGR-IBGZPJMESA-N 339.443 2.251 30 50 EEEA CC(C)(O)C#Cc1cccc(C(=O)N(CCO)Cc2ccccc2)c1 828754069 WXHJJBIRPDBION-UHFFFAOYSA-N 337.419 2.444 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 12343821 PXAGSHVBOFMJFB-UHFFFAOYSA-N 341.392 2.275 30 50 EEEA Cc1ncc(CO)c(/C=N/N=c2\sc3ccccc3n2C)c1O 13940869 BXSPQAWBWXEHCI-BELIZPCPSA-N 328.397 2.076 30 50 EEEA N#Cc1cc(CN2CCN(C(=O)c3ccco3)CC2)c(F)cc1F 1237532151 PLZFCYRTBBBHPK-UHFFFAOYSA-N 331.322 2.387 30 50 EEEA C=C(C)COc1ccccc1C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 55053482 FKBYNZQLVJVILM-CQSZACIVSA-N 328.412 2.382 30 50 EEEA N#Cc1ccccc1NC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621285 FOJDQSJFXBXBLW-UHFFFAOYSA-N 331.331 2.387 30 50 EEEA CC1(C)CC(=O)C=C(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)O1 65384943 NXAUTXRSHKTBGC-JKSUJKDBSA-N 347.386 2.154 30 50 EEEA N#Cc1ccccc1C(=O)N1CCN(C2CCCCC2)C[C@H](O)C1 97759494 MOXPCHRVSHBCBW-KRWDZBQOSA-N 327.428 2.010 30 50 EEEA 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YIRBGEAYIIZGKH-UHFFFAOYSA-N 342.490 2.185 30 50 EEEA Cc1oc(C#N)cc1C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 370459122 GGAWMRGAPYJKPQ-MRXNPFEDSA-N 341.342 2.476 30 50 EEEA C=CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(F)cc1 6700061 MONDWIQLMZXVKE-JTQLQIEISA-N 336.392 2.321 30 50 EEEA O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C12CC2 105209339 MDGVFZYSSMDXTB-LKBDPDMFSA-N 337.335 2.126 30 50 EEEA CC1(C)OB(c2cc([N+](=O)[O-])ccc2OC2CCOCC2)OC1(C)C 170004720 IMJPVGYZMNCNFG-UHFFFAOYSA-N 349.192 2.452 30 50 EEEA CCc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 32568405 FYOAZHYGNLCBHN-YVLHZVERSA-N 332.381 2.290 30 50 EEEA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)CC1=C(c2ccccc2)CCC1=O 1615692298 HIKBMKVUJFONIK-RDJZCZTQSA-N 338.407 2.130 30 50 EEEA CCN(CC)C(=O)c1sc(NC(=O)CC#N)c(C(=O)OC)c1C 6783571 JWBGROIRSOORKO-UHFFFAOYSA-N 337.401 2.177 30 50 EEEA N#Cc1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCC2 225608686 WZLCLOLLPJCYHV-OXHZDVMGSA-N 346.408 2.315 30 50 EEEA C[C@H]1CCc2c(sc(NC(=O)CCN3CCOCC3)c2C#N)C1 19902695 OCVGZJQNBMQSQM-LBPRGKRZSA-N 333.457 2.405 30 50 EEEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](c2ncon2)C1 2325774394 YNAZIDNYTBWGLE-OCCSQVGLSA-N 326.356 2.115 30 50 EEEA COC1(OC)[C@@H](C=Cc2ccccc2)C(C#N)(C#N)C1(OC)OC 1857795393 NXUPXBDUVJSWJJ-HNNXBMFYSA-N 328.368 2.341 30 50 EEEA C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)N(C)C[C@@H](C)C#N)C1 229547620 BIJYPQSNWDQUBN-QKPAOTATSA-N 332.448 2.029 30 50 EEEA C#C[C@@](C)(CC)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 1425905 MJPFXEQJIYVCBR-HNNXBMFYSA-N 349.847 2.326 30 50 EEEA C=CC[C@@H]1N(S(=O)(=O)c2cnn3c2OCCC3)CCCC1(C)C 333237864 ZMHGZHWAOFSYKS-AWEZNQCLSA-N 339.461 2.421 30 50 EEEA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(Cc2ccc(Cl)cc2C#N)C1 284616428 KSOZIICUKQKFKO-IRXDYDNUSA-N 347.846 2.423 30 50 EEEA CN1CCO[C@H]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 285007025 MCUBTEIDSONIQF-GJZGRUSLSA-N 325.334 2.486 30 50 EEEA N#CC1(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)CCSCC1 162439264 HXGYCBBUYBIMGV-CQSZACIVSA-N 343.452 2.483 30 50 EEEA N=C1N/C(=N\c2ccc(Cl)cc2)N[C@H](c2ccc3c(c2)OCO3)N1 96026522 CRBAHNXPHQQJDN-CQSZACIVSA-N 343.774 2.472 30 50 EEEA C=CCN(Cc1ccc(C)s1)S(=O)(=O)c1cn(C)c(C)n1 952961220 YZNUOOGMFXNLQP-UHFFFAOYSA-N 325.459 2.475 30 50 EEEA N#Cc1cccc(Cl)c1N1CCC(N2CCC[C@H]2C(N)=O)CC1 301980701 XTHOJDNKYJPBJD-HNNXBMFYSA-N 332.835 2.130 30 50 EEEA CC(C)(O)C#Cc1cccc(C(=O)N2CCC[C@@H](C3(O)CC3)C2)c1 1772814163 MIKIOWOCQCQDNO-QGZVFWFLSA-N 327.424 2.186 30 50 EEEA COc1cc(C#N)ccc1OCC(=O)N1CCCO[C@@H]2CCC[C@H]21 369472958 RJWPRHWQWGABDQ-HUUCEWRRSA-N 330.384 2.116 30 50 EEEA COc1cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)ccc1C#N 373022476 IGDCQGQYFJEATQ-KRWDZBQOSA-N 326.400 2.236 30 50 EEEA COc1ccccc1-n1cc(CNC(=O)N2CCC[C@H](C#N)C2)cn1 426661397 WFKYKOGMWZJPMI-CQSZACIVSA-N 339.399 2.326 30 50 EEEA CO[C@@H]1C[C@@H](c2ncc(-c3cccnc3)[nH]2)N(C(=O)C#CC2CC2)C1 886096912 OHKFGPVQOGYBQW-WBVHZDCISA-N 336.395 2.174 30 50 EEEA Cc1ccc(S(=O)(=O)OCCOCCC(=O)OC(C)(C)C)cc1 79016713 OVLSSENVXOKYAD-UHFFFAOYSA-N 344.429 2.449 30 50 EEEA in-vitro N#Cc1ccccc1CSCCNC(=O)N1CCN2CCC[C@H]2C1 171898822 VXOHDAKTTHKNGV-KRWDZBQOSA-N 344.484 2.281 30 50 EEEA Cc1ccsc1/C=N/NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 372826 UEKYSUAZFARKBL-MDWZMJQESA-N 325.371 2.277 30 50 EEEA CC[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1ccccc1C#N 18094139 LXEAHMJGOWNALV-ZDUSSCGKSA-N 328.397 2.459 30 50 EEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)c(OC)c1 100052900 QQSLNVHVHGNFIY-OGLNHSBWSA-N 340.379 2.235 30 50 EEEA CCCCN/C(O)=N/S(=O)(=O)c1c(OC)cc(C)nc1Cl 4576397 KHTWFVHIFRNMGF-UHFFFAOYSA-N 335.813 2.044 30 50 EEEA CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2ccc(C#N)cc2)CC1 4241827 FCBPLIYQUXNOBX-HNNXBMFYSA-N 345.399 2.237 30 50 EEEA C=C(C)CNCc1ccc(OC)c(OC[C@H](O)CN(C)C(C)C)c1 12588791 AECFSLHPFPCZIA-QGZVFWFLSA-N 336.476 2.441 30 50 EEEA Cc1noc(C)c1[C@@H](C)C/N=C(/O)N1CCC(c2nncn2C)CC1 328717807 PMBUSBWBPCAFTF-NSHDSACASA-N 346.435 2.317 30 50 EEEA CN(C)c1ccncc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 363886155 JMXKILSKGUTURS-GOSISDBHSA-N 336.395 2.233 30 50 EEEA C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2[nH]ccc2c1 160975494 SUGYRUDPVMCESG-CYBMUJFWSA-N 346.394 2.180 30 50 EEEA C[C@H]1C[C@H](CN=c2[nH]c3ccccc3cc2C#N)CN1C(=O)C(F)F 1875337570 YJXQEQDGUHPKHY-NWDGAFQWSA-N 344.365 2.442 30 50 EEEA C[C@@]1(O)CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 188289429 RSBYHBIGYPLEKL-OAHLLOKOSA-N 326.318 2.223 30 50 EEEA C=CCN[C@H]1CCc2c(c(C(=O)N3CCSCC3)nn2CCC)C1 14542206 PUBLGKZJPRRESD-AWEZNQCLSA-N 348.516 2.115 30 50 EEEA N#Cc1ccc(OC[C@H](O)CN2CCCC[C@H]2Cn2cccn2)cc1 247661055 SIJJJVFNOBBWPR-ZWKOTPCHSA-N 340.427 2.049 30 50 EEEA CCN(C[C@@H](C)C#N)C(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1 249741830 YCAGMWVODQMIDD-WMLDXEAASA-N 333.407 2.207 30 50 EEEA CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3[C@H](CCCN3C)C2)c1 293386769 NYKRVCZCESJSTP-CRAIPNDOSA-N 326.444 2.181 30 50 EEEA C=CCOC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 33669931 WSUYYYMWIGBPJO-NSHDSACASA-N 330.381 2.047 30 50 EEEA biogenic Cn1c(O)nnc1C[C@H]1CCCC[C@H]1NCc1ccc(C#N)cc1 685940540 CSHSSUPUZBAUOQ-HZPDHXFCSA-N 325.416 2.283 30 50 EEEA N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cnc(C3CCC3)nc1O)C2 1875278719 XSXLNQRPZAXCQN-OAHLLOKOSA-N 334.379 2.219 30 50 EEEA N#Cc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1C#N 253419964 PJZLYVYQZCUTDN-IBGZPJMESA-N 346.390 2.269 30 50 EEEA CC#CC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 801184948 ISSWIBJMCVCXHJ-OAHLLOKOSA-N 336.395 2.391 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1[N+](=O)[O-] 237404 KMQYZWJNPAKLOK-NHYWBVRUSA-N 346.339 2.058 30 50 EEEA C#CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4819682 QYPZFDFEUWQBDN-LFIBNONCSA-N 349.342 2.363 30 50 EEEA C=CCOC(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 67851256 GIEIFUMJLRSKMM-CQSZACIVSA-N 342.399 2.073 30 50 EEEA COC(=O)c1cn([C@H]2CCN(Cc3ccccc3N=C(C)O)C2)nn1 328587463 WQXGJBMKUZWJJN-AWEZNQCLSA-N 343.387 2.120 30 50 EEEA N#CC1(NC(=O)CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)CCCCC1 331536624 FYJCXDPXLCQLAQ-SJORKVTESA-N 345.418 2.276 30 50 EEEA C#CC[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 252441317 PLKWEVUMSNPOQP-JZEGDQDVSA-N 328.432 2.079 30 50 EEEA C#CCN(C)C(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1 888098103 ZRHVKRFWQCRHFL-UHFFFAOYSA-N 347.415 2.494 30 50 EEEA CC(C)(NC(=O)NCCc1ccc(C#N)cc1)[C@@H](O)C(F)(F)F 1776005845 KJOLGJMEPVSDBR-GFCCVEGCSA-N 329.322 2.102 30 50 EEEA Cc1cc(C[C@@H]2CN(c3nc(C(C)C)ccc3C#N)C[C@H]2O)on1 1704306178 SDOUZOHLZNZIQO-RHSMWYFYSA-N 326.400 2.413 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)N=N1 2325892362 KXFBWYXQQPCDGR-CVEARBPZSA-N 343.431 2.190 30 50 EEEA C#CCCC1(CCNC(=O)Cn2cc(C(=O)O)c3ccccc32)N=N1 2325900577 ATBXLQPQQRBYEV-UHFFFAOYSA-N 338.367 2.421 30 50 EEEA C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CN1C(=O)CNC1=O 55211567 ZBFDOBDBSJQELN-CVEARBPZSA-N 339.395 2.013 30 50 EEEA CCn1cnnc1[C@@H]1CN(/C(O)=N/[C@@H]2C[C@H]2c2ccccc2)CCO1 328625065 KJDWCCPTPYYNRE-XHSDSOJGSA-N 341.415 2.141 30 50 EEEA CCC#CCN1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77486001 KOAXCWBBGQNZSL-FQEVSTJZSA-N 340.471 2.403 30 50 EEEA CN1CCN(C)[C@@H](CNC(=O)c2ccc(-c3cccc(C#N)c3)cc2)C1 426361474 ZTDLUYYGHKKTNE-FQEVSTJZSA-N 348.450 2.201 30 50 EEEA C[C@@](C#N)(COc1ccc(F)c(F)c1)NC(=O)CCn1cccn1 170684301 VDHZSKFIWBSJIY-MRXNPFEDSA-N 334.326 2.029 30 50 EEEA COc1cc(C#N)ccc1S(=O)(=O)N(C)c1ccccc1C(=O)O 359633716 DOCUGHFEDNDTKI-UHFFFAOYSA-N 346.364 2.090 30 50 EEEA COc1cc(C#N)ccc1OCCN1CC[C@@H](CN2CCCC2)C1 119062149 PWOBMEZRKMXGNM-KRWDZBQOSA-N 329.444 2.363 30 50 EEEA C=CCc1ccc(OCCOCCN2CCN(CC)CC2)c(OC)c1 20406412 ZVRBBVYJVAVGSM-UHFFFAOYSA-N 348.487 2.457 30 50 EEEA N#Cc1c[nH]ccc1=NCC1CCN(C[C@@H](O)c2ccccc2)CC1 364907534 NOSSNJWZRFFTML-HXUWFJFHSA-N 336.439 2.233 30 50 EEEA CCCc1cc(N2CCN(c3ccc(C#N)cn3)CC2)n2nccc2n1 72477147 IQWZGGVOBQAKFR-UHFFFAOYSA-N 347.426 2.275 30 50 EEEA C=CCN1CC[C@]2(CCC1=O)CN(C(=O)OCCCC)CCN2C 91603574 GMKUNHKMNPLYEE-GOSISDBHSA-N 337.464 2.108 30 50 EEEA Cc1c(C(=O)NCC#C[C@@H]2CCCCO2)c2ccccc2n(C)c1=O 891107235 BCVQWFIOLYUFGD-HNNXBMFYSA-N 338.407 2.149 30 50 EEEA CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C#N)CC)c(F)cc1Cl 888099801 RXXQTHLVOWLTGS-MRVPVSSYSA-N 348.783 2.236 30 50 EEEA CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2cccc(C#N)c2)C1 275707728 SAAYAWYFNFFHOQ-INIZCTEOSA-N 336.395 2.313 30 50 EEEA Cn1nc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)cc1C1CC1 1472634948 CKZAJXDUTDEVMR-UHFFFAOYSA-N 333.355 2.207 30 50 EEEA CO[C@H]1CN(C(=O)c2cccc(C#N)c2)C[C@H]1Cc1cc(C)no1 1704356804 LFXHNUHGMNDLOX-WBVHZDCISA-N 325.368 2.184 30 50 EEEA C=CCn1ncc(CN2CCNC(=O)[C@H]2c2cccc(F)c2)c1C 67513647 USAFHHRBUKRIGS-QGZVFWFLSA-N 328.391 2.190 30 50 EEEA CCn1ccnc(N2CCC(/N=C(/O)[C@H](C)OCC3CC3)CC2)c1=O 328625460 DECZMCHCMIPPIA-ZDUSSCGKSA-N 348.447 2.004 30 50 EEEA CCC[C@H]1CN(CCN2CCCC2=O)C[C@@H]1Nc1ccc(C#N)cn1 219562875 INQDKHPRADYFTG-IRXDYDNUSA-N 341.459 2.088 30 50 EEEA Cc1ccn(C[C@@H]2CN(Cc3ccccc3)CCCO2)c(=O)c1C#N 289446336 UJDUVKSQMOBMHE-SFHVURJKSA-N 337.423 2.320 30 50 EEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2sccc2N)cc1 1565531341 IBKUJWXPSQRPJS-GJZGRUSLSA-N 343.408 2.168 30 50 EEEA CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)OC1(C)C 169743795 LLQQCDJVSYEQQQ-UHFFFAOYSA-N 330.042 2.285 30 50 EEEA in-vitro Cc1cccc(N=C(O)N[C@@H](c2nc(C)no2)C2CCOCC2)n1 328636955 VVAOKRLKURKELM-CQSZACIVSA-N 331.376 2.384 30 50 EEEA C=C(C)C[C@@H]1N(c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]12O3 4028907 IDZVBZRLNMBRMS-NTODXPRQSA-N 325.364 2.392 30 50 EEEA biogenic CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C#N)CC1 6746249 XTAOPORVNSZNMK-UHFFFAOYSA-N 349.456 2.339 30 50 EEEA C=C(C)COc1ccccc1C(=O)N1CCOC[C@@H]1CC(=O)OCC 55383398 DVZMEVUMFDBWDZ-HNNXBMFYSA-N 347.411 2.436 30 50 EEEA Cc1nc2c(c(C)c1CCC(=O)Nc1cccc(C#N)c1)c(=O)[nH]n2C 174388228 XNCFLEZHFVMRNP-UHFFFAOYSA-N 349.394 2.321 30 50 EEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1cc(C#N)ncn1 952992965 ZNZOSHRBIYJURY-JTQLQIEISA-N 336.321 2.262 30 50 EEEA C[C@](NC(=O)c1ccc(F)c(C#N)c1)(C(N)=O)c1cccc(Cl)c1 170617688 YVGXFBCPNBALDA-QGZVFWFLSA-N 345.761 2.481 30 50 EEEA CCc1nnsc1/C(O)=N/[C@@H](c1nc(C)no1)C1CCOCC1 328609610 FEDDJCUKJRLTBY-LLVKDONJSA-N 337.405 2.264 30 50 EEEA CC(C)c1noc([C@H](/N=C(/O)Nc2ccnn2C)C2CCOCC2)n1 328618951 FHGUQKCNTGQELN-CYBMUJFWSA-N 348.407 2.420 30 50 EEEA COc1nc2ccn(CCNc3ccncc3C)c(=O)c2cc1C#N 67934223 RQQQDMVRCUUPKD-UHFFFAOYSA-N 335.367 2.092 30 50 EEEA Cc1ccc(N2CCC[C@H](/N=C(/O)[C@@H](O)Cc3ccccc3)C2)nn1 328588351 CKWHPMSHTIFSCK-IRXDYDNUSA-N 340.427 2.314 30 50 EEEA N#Cc1ccc(CN(C2CC2)[C@@H]2CCN(C3CCOCC3)C2=O)cc1 364188291 LMEYXCUCDYEHCJ-LJQANCHMSA-N 339.439 2.303 30 50 EEEA C=CCC1(C(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)CCC1 286018586 TURBFVRRTVSTHF-UHFFFAOYSA-N 348.468 2.226 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)C[C@H]1CCCCN1C)CC2 91663763 QUYWQRCVAZOMPG-QGZVFWFLSA-N 347.503 2.278 30 50 EEEA COc1cccc(/C=N\NS(=O)(=O)c2ccc(C)c(C)c2)c1O 32575662 AUMDRQRUDSUJMB-YVLHZVERSA-N 334.397 2.330 30 50 EEEA C=CCCC(=O)N[C@@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 15072379 WAVZYPZOVJOOGB-MRXNPFEDSA-N 344.459 2.145 30 50 EEEA COc1ccc(C(=O)O/N=C(\N)c2ccc(C)cc2)cc1[N+](=O)[O-] 4906760 YDETVOOIRJJJJB-UHFFFAOYSA-N 329.312 2.389 30 50 EEEA N#Cc1cncc(CNS(=O)(=O)C[C@@H]2CCCC(F)(F)C2)c1 1365739127 BJEZEDSLGMVRHG-LLVKDONJSA-N 329.372 2.198 30 50 EEEA CNc1ccc(/C(O)=N/C[C@H]2CC(c3ccc(OC)cc3)=NO2)cn1 328586954 MXMJDIZMHQJSDQ-OAHLLOKOSA-N 340.383 2.630 30 50 EEEA CCc1cc(N2CCN(Cc3ccccc3C#N)CC2)n2nccc2n1 72418302 NMNPGYQENASYCH-UHFFFAOYSA-N 346.438 2.486 30 50 EEEA Cc1ccc(CN2CCC(CNC(=O)c3cc(C#N)c[nH]3)CC2)o1 299797198 PUIVYEFXUUBQKH-UHFFFAOYSA-N 326.400 2.430 30 50 EEEA Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2ccc(C#N)nc2)c1 952972476 DBSYWDLCAAFUNY-UHFFFAOYSA-N 337.383 2.014 30 50 EEEA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 275530720 CCJDYWBSEKAGNL-GOSISDBHSA-N 337.427 2.408 30 50 EEEA O=S1(=O)CC[C@H](Cc2nnc(SCC#Cc3ccccc3)o2)C1 191737735 HESHXUFNMVNELO-CQSZACIVSA-N 348.449 2.191 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2)o1 1506396759 KEHIEZJBQJHOFF-OAHLLOKOSA-N 331.343 2.005 30 50 EEEA C=C(C)COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(N)=O 55052587 DDCDSWUSQAZJJM-KRWDZBQOSA-N 338.407 2.468 30 50 EEEA Cc1cccnc1CN1CCN(Cc2ccc(C#CCO)s2)CC1 216213087 OLQNNVMUQMFTEO-UHFFFAOYSA-N 341.480 2.113 30 50 EEEA CCN(CC#N)S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1Br 1775994199 XXJPADRYSXVMAA-WCQYABFASA-N 343.246 2.480 30 50 EEEA N#CCCn1ncc2c(NCCc3nc4c(s3)CCC4)ncnc21 896070306 UMRPEFIDNYWCET-UHFFFAOYSA-N 339.428 2.340 30 50 EEEA CC1(C)CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)[C@@H]1C#N 278078532 XPHCBDQQLICESL-QZTJIDSGSA-N 341.455 2.428 30 50 EEEA Cc1c([C@H]2OCC[C@@H]2/N=C(/O)c2cccc3c2OCCO3)cnn1C 330246584 FEZMUMJLCOHNDF-GOEBONIOSA-N 343.383 2.335 30 50 EEEA CCCc1occc1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 332436513 YJHJYOBVBPTFOR-ZDUSSCGKSA-N 339.399 2.245 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](C)N(c2ccccc2)C1=O 253431795 UCQNPIMWQRAMEG-PQEBFOHHSA-N 328.412 2.278 30 50 EEEA C#CCCC1(CCC(=O)NCCc2cc(-c3ccncc3)n[nH]2)N=N1 2325900365 VLRJWBWGWBHHCH-UHFFFAOYSA-N 336.399 2.486 30 50 EEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1/C=C/c1ccccc1OC 4845138 JCFGNHSQKKWCNT-ATWMFIQVSA-N 328.368 2.393 30 50 EEEA N#C[C@H]1CN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CCN1C1CC1 370995046 XSCOWQBOKVNPBV-FOZGUINQSA-N 347.422 2.084 30 50 EEEA C[C@H](C#N)CN(C)C(=O)[C@]1(C)CC[C@@]1(C)C(=O)N(C)C[C@H](C)C#N 888095796 YJSLLSJCMYPGRG-KNCCTNLNSA-N 332.448 2.029 30 50 EEEA CC1(C)OB(c2ccc(CNCCCn3ccnc3)cc2)OC1(C)C 169747094 OJNUJXDRCCIJCB-UHFFFAOYSA-N 341.264 2.362 30 50 EEEA in-vitro Cc1ccc([C@@H](C/N=C(/O)c2cncn2C)N2CCOCC2)s1 329689758 VTOCMGDUPISAOB-CYBMUJFWSA-N 334.445 2.168 30 50 EEEA Cc1ccc(CN2CCN(C(=O)c3ccc(C#N)nc3)[C@@H](C)C2=O)cc1 55341438 UQLPLLMSQCKRFQ-HNNXBMFYSA-N 348.406 2.135 30 50 EEEA COc1ccc(F)cc1CN1CCN(c2cccc(C#N)n2)CC1 122577914 JFEIZRXKRIQFJG-UHFFFAOYSA-N 326.375 2.423 30 50 EEEA CN1CCc2nc(CC3CC3)nc(N3CCC[C@H](C#N)C3)c2CC1 72418584 ZWEYXYRDNDRBLE-OAHLLOKOSA-N 325.460 2.199 30 50 EEEA CC(C)n1cc([C@@]2(O)CCCN(Cc3cc(F)ccc3C#N)C2)nn1 284715730 UMOXSIWCXOTKHA-GOSISDBHSA-N 343.406 2.353 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NCCCn2cc(Cl)cn2)o1 223008702 WZOLTYMKDFSFDE-UHFFFAOYSA-N 335.791 2.072 30 50 EEEA COc1ccc(Cn2c(Cc3ccc(F)cc3)noc2=O)cc1C#N 1875318477 RNHAUEPJVVQARD-UHFFFAOYSA-N 339.326 2.495 30 50 EEEA C=C(C)Cn1c(=O)c2c(nc3n([C@@H](C)CC)c(C)c(C)n23)n(C)c1=O 10104235 JHZRINUAMUHOOJ-NSHDSACASA-N 343.431 2.313 30 50 EEEA COc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)cc1C#N 135071834 ALDNIRJKDJDKRQ-QGZVFWFLSA-N 329.444 2.111 30 50 EEEA C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1/C(O)=N/C[C@H]1CCCOC1 328591355 POLKGXUAVRFZMU-MCIONIFRSA-N 342.436 2.394 30 50 EEEA CCCCOc1cccc(N2C(=S)N[C@@H]3C[S@@+](=O)(O)C[C@H]32)c1 334158297 FGOUQTNSDCTYOG-ZIAGYGMSSA-P 341.478 2.283 30 50 EEEA C#CCCC1(CCC(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)N=N1 952882066 RLRHZVFBHFFGLP-MRXNPFEDSA-N 343.431 2.083 30 50 EEEA C#CCCC1(CCC(=O)NCC2CCN(C3CCOCC3)CC2)N=N1 952880680 KNTCWCAKWHRDLJ-UHFFFAOYSA-N 346.475 2.349 30 50 EEEA CCOC1(OCC)N=C(N)[C@]2(C#N)[C@H](c3ccccc3F)[C@]12C#N 169705265 JLVQOIUVWRBVHK-BPUTZDHNSA-N 328.347 2.040 30 50 EEEA C#CCCC1(CCNC(=O)CCc2nncn2-c2ccccc2)N=N1 2325891037 MSSJOZRRUUHFKZ-UHFFFAOYSA-N 336.399 2.282 30 50 EEEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)N[C@H](COC)C2CC2)cn1 328634581 UFGVMCOCWJTTHD-ARFHVFGLSA-N 336.436 2.052 30 50 EEEA N#Cc1c[nH]c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)c1 177811098 HTLLBYYTRJNHGN-CQSZACIVSA-N 344.371 2.179 30 50 EEEA C[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@H]1OCCc2sccc21 294862420 ONDPDUGMRWKDBW-ISVAXAHUSA-N 327.369 2.103 30 50 EEEA CC#CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1875363024 PNLYIIFAMWIVHY-MNDPQUGUSA-N 347.440 2.241 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1[N+](=O)[O-] 535316 QIQIBGPRJOSTGG-OAHLLOKOSA-N 339.307 2.479 30 50 EEEA CCOC(=O)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Cl)cc1 549127 OQYSZKPLQMMAHR-AWEZNQCLSA-N 337.759 2.188 30 50 EEEA CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccnc1 79054 FKXMLLYKADPKNS-LBPRGKRZSA-N 340.408 2.451 30 50 EEEA COCCOCC/N=C(/O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 328598805 ONGSAUGDLFTYAI-GFCCVEGCSA-N 330.425 2.394 30 50 EEEA C[C@@H](CO)/N=C(/O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 328608165 YJJPUPWKPLBJQB-PJODQICGSA-N 333.363 2.426 30 50 EEEA C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)Nc1n[nH]c(C2CC2)c1C#N 377100403 PYRFOXKANLCFOJ-CXAGYDPISA-N 349.438 2.865 30 50 EEEA COc1cccc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2=O)c1 85479340 UAMKOPJTMAFZAP-UHFFFAOYSA-N 335.363 2.056 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@]1(C)CCCCO1)CC2 91695334 YASVNRGERXUEQX-SFHVURJKSA-N 334.460 2.363 30 50 EEEA Cc1noc([C@H]2CCCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)n1 952977272 BNKVLZJVSIQTAG-CQSZACIVSA-N 343.383 2.461 30 50 EEEA C[C@H]1CCNC(=O)[C@@H]1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 194083448 WEVAIHXMJHXFEV-QPUJVOFHSA-N 340.305 2.223 30 50 EEEA COC(=O)c1ccsc1N1CC[C@H](/N=C(/O)c2[nH]ccc2C)C1=O 328587803 IEZYFXDLHPULDF-NSHDSACASA-N 347.396 2.281 30 50 EEEA Cc1nn(-c2ccccn2)c(C)c1CN1CCN(C2CC2)[C@@H](C#N)C1 374898625 BMXNCLMWJIZCTE-KRWDZBQOSA-N 336.443 2.056 30 50 EEEA CCOc1cc(C#N)cc(I)c1OCC(=O)O 2767726 WZVMCHZHOFTNLZ-UHFFFAOYSA-N 347.108 2.025 30 50 EEEA N#Cc1ccc(CN2CCC[C@H]3C(=O)NC[C@H]32)c(Br)c1 225630057 KECVZURZTVBGJE-TZMCWYRMSA-N 334.217 2.031 30 50 EEEA Cc1sc(N=C(O)CN2CC[C@](C)(NCC(=O)O)C2)c(C)c1C 328604403 JNVXICXHOVNEGT-INIZCTEOSA-N 339.461 2.400 30 50 EEEA CC(C)(O)c1cn([C@@H]2CCCC[C@@H]2N/C(O)=N/Cc2ccco2)nn1 328602551 CANXBGDMALGKJM-UONOGXRCSA-N 347.419 2.286 30 50 EEEA C=CCN(CC1CCCCC1)S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 170626000 SMNKNQIYRCMRBH-GASCZTMLSA-N 330.494 2.409 30 50 EEEA CO[C@H]1CCCN(c2nc(C)cc(N3CCC[C@@H](OC)C3)c2C#N)C1 408524503 VERQWZYOHWUQDJ-CVEARBPZSA-N 344.459 2.492 30 50 EEEA Cc1cc(=N/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc[nH]1 328638410 WIUDOBSAZXGCEI-RDJZCZTQSA-N 325.416 2.226 30 50 EEEA Cc1cccc2c1OC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)C2 368082184 SSJJZLBVJIXHMA-KRWDZBQOSA-N 342.420 2.290 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)N=N1 2325892377 LIMPOUDTYLWZKY-GVDBMIGSSA-N 346.475 2.348 30 50 EEEA N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O 225577270 DOLJQMUTIKXPPW-XQQFMLRXSA-N 341.333 2.338 30 50 EEEA Cc1cc([C@H](C)/N=C(/O)N2CCO[C@H](c3nncn3C)C2)c(C)o1 328624720 KBPSRPJWORDSDR-FZMZJTMJSA-N 333.392 2.073 30 50 EEEA Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1cccnc1C#N)CCC2 253431687 HUWKWFFDZOMETP-ZDUSSCGKSA-N 348.453 2.416 30 50 EEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2sccc2N)cc1 223935695 IBKUJWXPSQRPJS-HUUCEWRRSA-N 343.408 2.168 30 50 EEEA C=CCCC(=O)N1CCCN(C(=O)Cc2cccc(OC)c2)CC1 1523172902 NRPRGAITCCMCGN-UHFFFAOYSA-N 330.428 2.265 30 50 EEEA CCOc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2 454009 KJRSGZYEBOIVJY-UHFFFAOYSA-N 335.319 2.038 30 50 EEEA C#CCCC1(CCC(=O)Nc2cnc3cc(C(=O)OC)ccn23)N=N1 2325892867 LRXDRPWQKWCLDF-UHFFFAOYSA-N 339.355 2.415 30 50 EEEA C[C@@H]1C[C@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CO1 332298064 PFUBBVRXTMXOOU-WBVHZDCISA-N 327.428 2.086 30 50 EEEA N#Cc1ccc(OC[C@H](O)CN2CCOc3c(F)cccc3C2)cc1 373827865 BGNGTSNKMROLSC-MRXNPFEDSA-N 342.370 2.332 30 50 EEEA C/C(=N/NS(=O)(=O)c1ccc(C)cc1)C12C3[C@H]4C5CC([C@H]41)[C@@H]2[C@H]53 216357848 ZQQVKCRFFOXSQC-YNRQCWILSA-N 328.437 2.407 30 50 EEEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1csc(C)n1)CCN2C 91988026 UKLRORGXFUPCAP-SFHVURJKSA-N 348.516 2.136 30 50 EEEA N#Cc1ccc(O)c(-c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)c1 244778657 PUISQNBEKOABJB-UHFFFAOYSA-N 349.390 2.268 30 50 EEEA C[C@H](NC(=O)c1ccc(C#N)nc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 826783291 LWWZQWXCFUNMJA-LUIVIUGWSA-N 325.412 2.403 30 50 EEEA C[C@@H]1CC[C@@H](CS(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1875297857 GJYXKBKAVFRUPU-FMKPAKJESA-N 349.456 2.172 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccccc2)CC1 74615 MFWNJBHSHLEMPH-UHFFFAOYSA-N 327.409 2.069 30 50 EEEA COc1ccccc1CC(=O)O/N=C(\N)Cc1ccc([N+](=O)[O-])cc1 8573020 DLWGLTFJNFKMLO-UHFFFAOYSA-N 343.339 2.204 30 50 EEEA CCN(Cc1ccc(C#N)cc1F)C(=O)CN1CCO[C@@H]2CCC[C@H]21 230132469 ALZPUNJGZKZWPI-QZTJIDSGSA-N 345.418 2.299 30 50 EEEA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1390037 TVOXAGDFOQTNJI-UHFFFAOYSA-N 341.436 2.378 30 50 EEEA C#CCCC1(CCC(=O)N2CCCC[C@@H]2CN2CCOCC2)N=N1 952882373 QEBPHCOPVWLWFX-MRXNPFEDSA-N 332.448 2.055 30 50 EEEA C=CC(=O)NCC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C 1875372082 VWMHYKYJHHAHFG-UHFFFAOYSA-N 336.351 2.295 30 50 EEEA N#Cc1cnc(NC[C@@H](CO)Cc2cccc(Br)c2)cn1 277233468 TWOQQGOBUNSDHT-LBPRGKRZSA-N 347.216 2.374 30 50 EEEA C=C(C)CN(CC)C(=O)Cn1cnc2c(sc3ncccc32)c1=O 641499789 JQVPBGVFQKYQPJ-UHFFFAOYSA-N 342.424 2.431 30 50 EEEA C=C(C)CN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1C 11840556 KKESQVXNRUBKOK-SFHVURJKSA-N 343.471 2.110 30 50 EEEA COc1nccc(N/C(O)=N/[C@H](c2ccccc2)c2ccncc2)n1 328588944 UFTZULFVEDSHHC-MRXNPFEDSA-N 335.367 2.996 30 50 EEEA Cc1ncc2c(c1C#N)CCN(CCC(=O)N1CCC[C@H](C)C1)C2 65369892 WQMYOIWEWLYENR-AWEZNQCLSA-N 326.444 2.268 30 50 EEEA COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1c1cnc(C#N)cn1 125017096 OBJCJAVYPRCEED-HNNXBMFYSA-N 337.383 2.273 30 50 EEEA CC(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc1 160017695 DJMHXCFVJQLLOF-UHFFFAOYSA-N 346.339 2.019 30 50 EEEA Cc1nc(N[C@H]2CNCC[C@H]2C#N)c2cnn(-c3ccccc3)c2n1 1875306303 ZXENIKFYVVVNBY-BBRMVZONSA-N 333.399 2.038 30 50 EEEA CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 275506117 ARLHNPOOEUTIFO-PBHICJAKSA-N 343.475 2.434 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)n2)cc1 16607130 YAZXPOQLPQDYAE-UHFFFAOYSA-N 331.397 2.107 30 50 EEEA COC(=O)c1cc2c(c(B3OC(C)(C)C(C)(C)O3)c1)OC(F)(F)O2 169904511 BHBFUACLZRMTSO-UHFFFAOYSA-N 342.103 2.094 30 50 EEEA CC1(C)OB(c2cccc(N3CCC4(CC3)OCCO4)c2)OC1(C)C 169983981 VRMCMYMODSCQJH-UHFFFAOYSA-N 345.248 2.329 30 50 EEEA C=CCOc1ccc(/C=N/n2c(=S)[nH]nc(C)c2=O)cc1OC 8228566 DOESWTDQJSTICB-CXUHLZMHSA-N 332.385 2.065 30 50 EEEA CCNS(=O)(=O)c1ccc(N/C(S)=N\Cc2ccco2)cc1 8683750 OEIRVOVJVCFESB-UHFFFAOYSA-N 339.442 2.476 30 50 EEEA C[C@@H](C#N)CN(C)c1c(I)cncc1[N+](=O)[O-] 418829586 HERDQAODXIJQFN-ZETCQYMHSA-N 346.128 2.190 30 50 EEEA CC(C)S(=O)(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 405171842 VYWHWUAJVRXRCW-UHFFFAOYSA-N 325.239 2.136 30 50 EEEA Cc1ccc(-n2nc(C)cc2NC(=O)Cn2cnc(C#N)c2C#N)cc1 159625030 JJVWQYDOGWOWSZ-UHFFFAOYSA-N 345.366 2.068 30 50 EEEA CN(c1nncs1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 240894829 IQFOPTZEUVUKQX-UHFFFAOYSA-N 348.331 2.254 30 50 EEEA CC(C)c1cc(N2CCN(c3ccc(C#N)cn3)CC2)n2nccc2n1 72143351 ZEJYYARNKCNKTO-UHFFFAOYSA-N 347.426 2.446 30 50 EEEA CN(Cc1ccc(C#N)s1)C[C@@H]1C[C@H](F)CN1c1ccncn1 276000455 PMQPYTCCSKJLBS-STQMWFEESA-N 331.420 2.459 30 50 EEEA C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 188728959 GZEBMYPFIMNRIJ-DOTOQJQBSA-N 327.428 2.412 30 50 EEEA N#CC1(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CCOCC1 194488058 AMYJOQKWNUYOLX-UHFFFAOYSA-N 333.819 2.309 30 50 EEEA N#Cc1ccc(N2CC[C@H](Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 114749396 TYXKMAJIPVOOTN-INIZCTEOSA-N 348.362 2.107 30 50 EEEA Cc1nnc([C@@]23COC[C@@H]2CN(c2ncc(Cl)c(C)c2C#N)C3)o1 826762561 SDFDKOSXGIYJIZ-ZBEGNZNMSA-N 345.790 2.011 30 50 EEEA C#CCCC1(CCC(=O)Nc2nc(CC)c(C(=O)OCC)[nH]2)N=N1 2325894741 LTCQANDUECIMAG-UHFFFAOYSA-N 331.376 2.443 30 50 EEEA COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)c1 381125 ZZYZZVGEHAGCKI-GDBMZVCRSA-N 331.368 2.159 30 50 EEEA N#Cc1ccsc1N=C(O)CN1CCCC[C@@H]1c1nc(O)n[nH]1 329609697 RAQWQJHHYCNTSQ-SNVBAGLBSA-N 332.389 2.259 30 50 EEEA Cc1nc(C(F)(F)F)ccc1/C(O)=N/CCN1CCOC[C@@H]1C 330623136 PEXBZRPAQOUMFB-JTQLQIEISA-N 331.338 2.434 30 50 EEEA CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CC[C@H]1OS(C)(=O)=O 43198743 NSBVGQKHZOQIDR-HUUCEWRRSA-N 340.441 2.478 30 50 EEEA O=[S@+]1(O)C[C@@H]2NC(=S)N(c3cccc(Cl)c3Cl)[C@H]2C1 334158181 WACGEWALAZOZOJ-CBAPKCEASA-P 338.261 2.411 30 50 EEEA N#Cc1ccc([C@H](O)CN2CCC(OC3CCOCC3)CC2)cc1 305089578 ZLSQBOKBBKDPNA-LJQANCHMSA-N 330.428 2.252 30 50 EEEA C=CCC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 12584903 MBFCALLOLRYZSN-OAHLLOKOSA-N 344.459 2.144 30 50 EEEA CN(C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@H]2C1(F)F 2325792148 GIHILAWFWWTFKP-ARILJUKYSA-N 325.403 2.218 30 50 EEEA COC1(CN/C(O)=N/C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCC1 328630443 PVRMRBNPKCGLIH-HOTGVXAUSA-N 332.448 2.147 30 50 EEEA C[C@@H](/N=C(/O)c1ccc2nnc(O)n2c1)c1nc(C(C)(C)C)no1 328669658 FXELKVLEFVATSF-MRVPVSSYSA-N 330.348 2.181 30 50 EEEA N#Cc1cc(S(=O)(=O)N[C@H]2CCCCC[C@H]2C(=O)O)ccc1F 292456628 OMYRNLAMKWXZEB-OCCSQVGLSA-N 340.376 2.009 30 50 EEEA Cc1ccc(C#N)c(N2CCC[C@@H](c3nccn3CCN(C)C)C2)n1 95530182 QEHBZBCMICCVHI-QGZVFWFLSA-N 338.459 2.404 30 50 EEEA N#Cc1cccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)c1 95508848 OCLDVCOOLIVRPP-YLJYHZDGSA-N 334.375 2.169 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCN(c3ncccc3F)C2)N=N1 952882938 ZHYGZRVVDXRXCU-CYBMUJFWSA-N 329.379 2.271 30 50 EEEA N#C[C@H](NC(=O)Cc1ccc(I)cc1)C1CC1 191468014 ASFSMLDJTOTMNH-LBPRGKRZSA-N 340.164 2.252 30 50 EEEA CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1O 42822 LIJIGSWHAFXMGG-GZTJUZNOSA-N 334.397 2.412 30 50 EEEA CC(C)N1C[C@@H](CN2CCN(c3ccccc3C#N)CC2)CCC1=O 1775983502 YZFUFTGHBHKLAO-QGZVFWFLSA-N 340.471 2.327 30 50 EEEA C#C[C@@](C)(CC)OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 12421450 IAFFRPSKIJMCEA-OALUTQOASA-N 334.435 2.127 30 50 EEEA N#CCCN(C(=O)CNc1ccc(C(N)=O)c(F)c1)c1ccccc1 126037391 DOGBMCVOZRHZCV-UHFFFAOYSA-N 340.358 2.283 30 50 EEEA COc1nccc(N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1C#N 72144690 IGAVCXZDLJUKNR-CQSZACIVSA-N 340.358 2.314 30 50 EEEA CC(C)[C@](C)(C#N)NC(=O)[C@H](C)n1ccc(C(F)(F)F)cc1=O 330795200 DRLGNCQASWOLKD-HZMBPMFUSA-N 329.322 2.483 30 50 EEEA CC(C)(C)n1cc(C#N)c(NS(=O)(=O)c2ccc3c(c2)CCO3)n1 177300467 RGSNBEJYVOKJTG-UHFFFAOYSA-N 346.412 2.245 30 50 EEEA Cn1cc(-c2c(-c3ccccc3)ncn2[C@H](CO)C(=O)O)cc1C#N 91416984 JKWBRQQVYBPMDB-OAHLLOKOSA-N 336.351 2.045 30 50 EEEA CCn1nc2c(c1C(=O)NCc1cncc(C#N)c1)C[C@@H](C)O[C@H]2C 1857528285 REYRHDYQEHFGOL-NEPJUHHUSA-N 339.399 2.122 30 50 EEEA CCc1c(C)nn(CCn2ccc3nc(O)c(C#N)cc3c2=O)c1C 67743261 GIHICVFJFABUTJ-UHFFFAOYSA-N 337.383 2.050 30 50 EEEA COCCOCC/N=C(/O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 328597614 ICBNPHPMTSZJFX-CHWSQXEVSA-N 330.425 2.109 30 50 EEEA CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 286523388 ZUGBESOWRAVGKK-RKDXNWHRSA-N 348.881 2.188 30 50 EEEA C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 91820334 XUHNARIYQYKQAU-QGZVFWFLSA-N 339.457 2.343 30 50 EEEA CC(C)(C)NC(=O)CNC(=O)c1cccc(-c2cccnc2C#N)c1 299789418 ZXAQYBKUJQWWEK-UHFFFAOYSA-N 336.395 2.265 30 50 EEEA N#Cc1ccncc1N1CC[C@H](c2cc(O)nc(N3CCCC3)n2)C1 864312168 TUUSZQZGYJVHIK-AWEZNQCLSA-N 336.399 2.043 30 50 EEEA COc1ccc(OC)c([C@H](C)NC(=O)COc2cncc(C#N)c2)c1 952882179 JCNAAWJOMLDORU-LBPRGKRZSA-N 341.367 2.227 30 50 EEEA C=CC(=O)N(C)CC(=O)N[C@H](C#N)c1ccccc1C(F)(F)F 1875297853 GIIMUWMEKYTFMT-GFCCVEGCSA-N 325.290 2.031 30 50 EEEA O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@]1(O)CCSC1 188736704 GPOKEFQQNRNTOG-AWEZNQCLSA-N 329.343 2.041 30 50 EEEA C=CCOc1ccc(CN2CCC3(CC2)CN(C)CCN3C)cc1 67695605 QTUDJRSNDFKNER-UHFFFAOYSA-N 329.488 2.463 30 50 EEEA CCN(CC(=O)O)C1CC(/N=C(/O)c2sc(C)cc2OC)C1 328654736 XSZRTXGDBAKMMZ-UHFFFAOYSA-N 326.418 2.307 30 50 EEEA CC(C)c1ccc(C#N)c(N2C[C@H](C(C)C)[C@@H](NC(=O)CCO)C2)n1 92037718 PUNKJRLWLDPVEV-WBVHZDCISA-N 344.459 2.036 30 50 EEEA Cc1nc([C@@H]2CCO[C@@H]2CN(C)Cc2ccc(C)c(C#N)c2)n[nH]1 952850107 YUZYGXYDAYMXSY-IAGOWNOFSA-N 325.416 2.298 30 50 EEEA COc1ccc(C(=O)O/N=C(\N)c2ccc(OC)c(OC)c2)cc1 4191544 DMKLDRHNNLVUFN-UHFFFAOYSA-N 330.340 2.190 30 50 EEEA biogenic OC(=Nc1cc(Cl)c(Cl)cn1)N1CC[C@H](N2CCOCC2)C1 328594453 LDJOMXCYJUOYLD-JTQLQIEISA-N 345.230 2.340 30 50 EEEA C[C@H](C(O)=Nc1ccc(C#N)c(Cl)c1)N1C[C@@H]2OCCN(C)[C@@H]2C1 329917824 FRPZLVGMSWHNJN-LYRGGWFBSA-N 348.834 2.203 30 50 EEEA CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cnc(C#N)c1C#N 126275913 GSMDRMOQGGXHJW-CYBMUJFWSA-N 325.397 2.224 30 50 EEEA COC(=O)c1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1 8228002 LCMPIEWDGIEKAF-OMCISZLKSA-N 330.291 2.254 30 50 EEEA CC1(C)C[C@H](CC(N)=O)N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 2325797163 UVGRCQGXUGIKLL-HRCADAONSA-N 325.412 2.164 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)N=N1 2325892443 NQQPJUFMYYYQMC-ZBFHGGJFSA-N 342.443 2.344 30 50 EEEA C=CCn1c(SCC(N)=O)nnc1[C@@H](C)Oc1ccccc1C 6741824 IFCOPBBXDWGZKC-GFCCVEGCSA-N 332.429 2.490 30 50 EEEA CN1CCc2nc(CC3CC3)nc(N3CCC[C@@H](C#N)C3)c2CC1 106956123 ZWEYXYRDNDRBLE-HNNXBMFYSA-N 325.460 2.199 30 50 EEEA N#CC1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1 147175009 KFAADDAHOXICBP-UHFFFAOYSA-N 338.411 2.165 30 50 EEEA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1ccc(C#N)cc1F 328616245 BMUNOXXOWLLALK-UHFFFAOYSA-N 348.403 2.051 30 50 EEEA O/C(=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1COCCN1CC(F)(F)F 328791413 QVIXWSRZYASZRP-RVMXOQNASA-N 348.365 2.164 30 50 EEEA Cc1cc(C#N)ccc1-c1cccc(C(=O)N2CCN(C)C(=O)C2)c1 299789523 WKPHDAGBIZUTQE-UHFFFAOYSA-N 333.391 2.448 30 50 EEEA COc1cc(N=C(O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)ccn1 329250702 UMZBVPUYGSESIS-OFQRWUPVSA-N 330.432 2.442 30 50 EEEA C#CCNC(=O)[C@@H](C)Nc1cnn(-c2ccccc2Br)c1 126513588 DCRHTETYQPPUTJ-LLVKDONJSA-N 347.216 2.185 30 50 EEEA Cc1nn(CC2(C#N)CCC2)c(C)c1S(=O)(=O)N1CCCCC1 333623518 ZVGHCQQZEMORHV-UHFFFAOYSA-N 336.461 2.368 30 50 EEEA N#Cc1ccc(N2CCC(C(=O)O)(n3cnc4ccccc43)CC2)nc1 72421636 VARPVRIWFGAOSJ-UHFFFAOYSA-N 347.378 2.383 30 50 EEEA CCc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccc(C#N)n2C)C3)o1 952851672 QMXNTEIPPALNGF-SGTLLEGYSA-N 339.399 2.036 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C)c1c(C)noc1C 170627077 HVJQAPMVTGEJNK-JTQLQIEISA-N 347.396 2.080 30 50 EEEA C=CCN(Cc1nnn(C)n1)Cc1cc(Br)ccc1F 193321006 LSSXXOQJJXZCIF-UHFFFAOYSA-N 340.200 2.300 30 50 EEEA Cc1ccc([C@H](C/N=C(/O)c2cncn2C)N2CCOCC2)s1 329689759 VTOCMGDUPISAOB-ZDUSSCGKSA-N 334.445 2.168 30 50 EEEA N#Cc1cc(C#N)c(SCC(=O)NC2CCCCCC2)nc1N 21424596 GWWANIPIPHIUHS-UHFFFAOYSA-N 329.429 2.338 30 50 EEEA CNc1ccc(/C(O)=N/C[C@@H]2CC(c3ccc(OC)cc3)=NO2)cn1 328586953 MXMJDIZMHQJSDQ-HNNXBMFYSA-N 340.383 2.630 30 50 EEEA CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3cccnc3C#N)C2)o1 367929690 UXNLZFRRGHRVQD-AWEZNQCLSA-N 339.399 2.131 30 50 EEEA C[C@H]1CN(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)C[C@H](C)O1 1775977758 WLXLPVBGWVUKNV-RYUDHWBXSA-N 347.396 2.011 30 50 EEEA NS(=O)(=O)c1ccc(C/N=C(/S)NC2CCCCC2)cc1 13545182 NPEWWESZMIFOGO-UHFFFAOYSA-N 327.475 2.042 30 50 EEEA C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 252537969 MLXKYYAGVMJGKL-GHMZBOCLSA-N 341.399 2.376 30 50 EEEA C[C@H]1CN(Cc2cccnc2)CCN1C(=O)c1ccc(C#N)c(O)c1 225498478 GIZJQGDOQGXIQN-AWEZNQCLSA-N 336.395 2.005 30 50 EEEA O=C1C[C@H](c2ccc(C#CCCO)cc2)c2c(nc3ccccn23)CN1 65468735 KMGXTKYJNQRAKJ-QGZVFWFLSA-N 345.402 2.220 30 50 EEEA CNC(=O)[C@@H]1CCC[C@@H]1N/C(O)=N/[C@@H](C)c1cc(F)ccc1OC 330573906 NRDAMXOBSDQYMH-SUHUHFCYSA-N 337.395 2.314 30 50 EEEA N#CC1(CS(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@H]32)CCCC1 262380991 GZVSWMLEFIXKAC-MJBXVCDLSA-N 340.445 2.118 30 50 EEEA C#CCCC1(CCC(=O)NC23CC(N4CCCCC4=O)(C2)C3)N=N1 1875382067 PMYMGCWMOZQPTG-UHFFFAOYSA-N 328.416 2.146 30 50 EEEA O=C1C=CC(=NS(=O)(=O)c2ccc(Br)cc2)C=C1 189768 UDJBFYWOEXXDON-UHFFFAOYSA-N 326.171 2.274 30 50 EEEA CCOC(=O)c1ccc[n+](CC(=O)c2cc3ccccc3oc2=O)c1 1885539 RUKNLLJCTODDRC-UHFFFAOYSA-N 338.339 2.140 30 50 EEEA C[C@H](C#N)CN(C)c1c(I)cncc1[N+](=O)[O-] 418829581 HERDQAODXIJQFN-SSDOTTSWSA-N 346.128 2.190 30 50 EEEA Cc1ccc(N2CCC[C@H](/N=C(/O)CCc3cncn3C)C2)nn1 328586511 XCNSHZMXWRJIKL-AWEZNQCLSA-N 328.420 2.077 30 50 EEEA N#CCCn1ccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)n1 120151918 IBGKVPTZDQHWAO-HNNXBMFYSA-N 330.436 2.136 30 50 EEEA N#Cc1cccc(CN2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c1 82096991 AERRRRCULQXBMJ-HXUWFJFHSA-N 341.455 2.145 30 50 EEEA CO[C@@H]1CCN([C@H]2CCC[C@H]2NCCOc2ccccc2C#N)C1 886075372 KTOHJBWPXXXAPK-KURKYZTESA-N 329.444 2.168 30 50 EEEA N#CCC[C@H]1NC(=O)[C@@H](Cc2cccc(Oc3ccccc3)c2)NC1=O 2325783265 JQVHJEMYPPOQLJ-QZTJIDSGSA-N 349.390 2.308 30 50 EEEA N#Cc1ccccc1NC(=O)CN1CCN(c2ccccc2F)CC1 52537444 VIYDXLYTDDIBIK-UHFFFAOYSA-N 338.386 2.458 30 50 EEEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1ccn2cncc2c1 328636903 VUCDFXDGHNLBCP-GJZGRUSLSA-N 325.372 2.386 30 50 EEEA Cc1ccc(C#N)c(N2CCN(c3ccc(CN(C)C)cn3)CC2)n1 161284515 XXYVICDSUPSINA-UHFFFAOYSA-N 336.443 2.045 30 50 EEEA N#Cc1cc(F)c(C(=O)NC[C@H]2CCO[C@@H]2c2cn[nH]c2)c(F)c1 886086220 RRHSRWNJSAWICI-BMIGLBTASA-N 332.310 2.067 30 50 EEEA CC(C)(C)[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CCO1 279745575 KXQQIUGHHDSIRK-ZDUSSCGKSA-N 344.383 2.272 30 50 EEEA C=CCC(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21 12584910 MBFCALLOLRYZSN-HNNXBMFYSA-N 344.459 2.144 30 50 EEEA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)Cc1ccc(C#N)cc1 858008152 LEDJIDGPFSVYOD-FUHWJXTLSA-N 338.411 2.118 30 50 EEEA C#CCCC1(CCNC(=O)CC2(c3ccc(F)cc3)CNC2)N=N1 2325901174 WWBPNIVHHZQFDN-UHFFFAOYSA-N 328.391 2.139 30 50 EEEA C=C(C)COc1cccc(CN2CCC[C@@H](C(=O)NCCCO)C2)c1 55404492 SYHAAYQFKPRAHW-GOSISDBHSA-N 346.471 2.352 30 50 EEEA N#Cc1cc2c(=O)n(CCCn3nccc3C3CC3)ccc2nc1O 67868305 GLXUAORHKCDLBX-UHFFFAOYSA-N 335.367 2.138 30 50 EEEA CC/N=C(/NCCOC)NC[C@H]1CCCN(C)[C@H]1c1cccs1 252512172 NOXGRIVEAKWMSG-GDBMZVCRSA-N 338.521 2.333 30 50 EEEA COc1ccc(CN[C@@H]2CS(=O)(=O)c3ccccc32)cc1C#N 364053290 GTOYXRJUQRDSEW-OAHLLOKOSA-N 328.393 2.185 30 50 EEEA CCn1nccc1[C@H]1C2=C(CCCC2=O)Nc2nc(SC)nn21 20607193 STJIVPPXXCPLAL-ZDUSSCGKSA-N 330.417 2.238 30 50 EEEA C=CCOC(=O)N1CCC[C@H](Nc2ncnc3c2ncn3C2CC2)C1 1875287829 BNOYVFRCIFKGNY-LBPRGKRZSA-N 342.403 2.360 30 50 EEEA C=CCN(Cc1ccccc1C)S(=O)(=O)N1CCC[C@H]1COC 952961166 QSJFLWCSJVRDCA-KRWDZBQOSA-N 338.473 2.339 30 50 EEEA COC(=O)c1cccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2)c1 75940316 ZYIDWQQMFOFAIA-OCCSQVGLSA-N 334.379 2.338 30 50 EEEA Cn1cc([C@@H](/N=C(/O)c2cc3n(n2)CCCO3)C(F)(F)F)cn1 330184223 QNOCZQRDOMYXEK-LLVKDONJSA-N 329.282 2.007 30 50 EEEA C=CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 4845055 ZAGVHGVFZBMMND-INIZCTEOSA-N 346.383 2.069 30 50 EEEA C=CC[C@]1(CO)CCCN(C(=O)c2cc3c(n(C)c2=O)CCCC3)C1 91986719 MBQANZVLMGSADB-FQEVSTJZSA-N 344.455 2.055 30 50 EEEA COCCCN(C)CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169972184 ZZAKCBUXPMILGG-UHFFFAOYSA-N 349.280 2.333 30 50 EEEA in-vitro CCO[C@H]1C[C@@](O)(CNC(=O)c2c(F)cc(C#N)cc2F)C1(C)C 191785963 WBIVJVGNUVDANG-SUMWQHHRSA-N 338.354 2.132 30 50 EEEA C=CCCC(=O)N1CCCC[C@H]1CCn1cc(C(=O)NC(C)C)nn1 12042505 OJDQQXZYWJIELI-HNNXBMFYSA-N 347.463 2.154 30 50 EEEA CNC(=O)[C@@H]1CCC[C@H]1N/C(O)=N/Cc1ccc(Cl)cc1F 331155439 PNPVNPWIOXURLO-DGCLKSJQSA-N 327.787 2.397 30 50 EEEA CCOc1cccc(S(=O)(=O)Nc2[nH]nc(C3CC3)c2C#N)c1 241776778 RSLMMMJUHIMXJJ-UHFFFAOYSA-N 332.385 2.358 30 50 EEEA Cc1[nH]nc2ncc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc12 378299075 LHZGHGSYZBATKR-KRWDZBQOSA-N 347.378 2.352 30 50 EEEA CO[C@@H]1CC[C@H]1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 2325804340 HBSBCOILHALYFV-MAUKXSAKSA-N 327.428 2.458 30 50 EEEA CC1(C)OB(c2ccc(CCCNCn3ccnc3)cc2)OC1(C)C 170162001 RHOCROYMDVFRCB-UHFFFAOYSA-N 341.264 2.362 30 50 EEEA COc1cc(C#N)ccc1OCCN1CC[C@H](CN2CCCC2)C1 119062010 PWOBMEZRKMXGNM-QGZVFWFLSA-N 329.444 2.363 30 50 EEEA CN(C(=O)CN1CCC[C@@]2(CCCCO2)[C@H]1C#N)c1nccs1 242196980 XGRDZYDTPADKIE-CJNGLKHVSA-N 334.445 2.033 30 50 EEEA CCCN1C[C@@H](NC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)CC1=O 426690260 HTJRVHFTPNBVSG-SFHVURJKSA-N 348.406 2.361 30 50 EEEA CCOC(=O)c1cnn([C@H]2CCCN(c3ccc(C#N)nc3)C2)c1 195547933 QQZHKTZVWAFYTM-INIZCTEOSA-N 325.372 2.168 30 50 EEEA C#CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)cc1 203139131 FHECJNHLEHWVDU-HNNXBMFYSA-N 333.384 2.307 30 50 EEEA COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1cccs1 4510759 RCALTLYCCNWLJR-QGMBQPNBSA-N 328.353 2.450 30 50 EEEA CCOc1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1Cl 112484334 AAHCNHWMRGWKQQ-LLVKDONJSA-N 344.758 2.490 30 50 EEEA N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cccc(C#N)c2)cc1 223764578 BYVLNIUTLXKHHB-RTBURBONSA-N 347.374 2.396 30 50 EEEA C=CCc1cc(C(=O)N2C[C@@H](CO)C[C@H](CN(C)C)C2)ccc1OC 91435075 LJBLRJPNENNDHZ-CVEARBPZSA-N 346.471 2.056 30 50 EEEA C[C@H](C1CC1)N(C)S(=O)(=O)N1CCC(c2ccc(C#N)cn2)CC1 874434852 GEGGRGKYBHEIAV-CYBMUJFWSA-N 348.472 2.108 30 50 EEEA Cc1ccc(-c2nn(C)cc2C(=O)NCC#C[C@H]2CCCCO2)o1 891105379 ANRXLKMQKHRLOC-CQSZACIVSA-N 327.384 2.291 30 50 EEEA Cc1ncc2c(c1C#N)CCN(C[C@H]1CCC(=O)N(C(C)C)C1)C2 1775981368 RGZDRQLJINPTTE-OAHLLOKOSA-N 326.444 2.267 30 50 EEEA N#Cc1ccccc1CS(=O)(=O)c1n[nH]c(-c2ccccc2F)n1 408514969 CMJRGKMKWOTNHJ-UHFFFAOYSA-N 342.355 2.456 30 50 EEEA C#CCCC1(CCC(=O)N[C@H](C)c2ncc(C(=O)OC)s2)N=N1 2325892624 UOCYBMXMKLAVMA-SNVBAGLBSA-N 334.401 2.463 30 50 EEEA Cc1nc(CN(C)[C@H]2CCCN(c3ncccc3C#N)CC2)no1 328656636 ZMYGHUHBOYYMMK-HNNXBMFYSA-N 326.404 2.136 30 50 EEEA N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(N2CCCC2)nn1 155118176 IOFQDFNMZAHXSQ-AWEZNQCLSA-N 335.367 2.038 30 50 EEEA C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cc(F)ccc1Br 132254291 WKVJRKKOHQCYKL-MRVPVSSYSA-N 342.168 2.287 30 50 EEEA CC1(C)CN=C(N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)S1 286384366 IOVSZILXGCBVJJ-UHFFFAOYSA-N 346.431 2.337 30 50 EEEA N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](c4ccn[nH]4)C3)C2=O)cc1 229573924 FOSDYDWZCZPGIS-QAPCUYQASA-N 335.411 2.266 30 50 EEEA N#CC1CCN(C(=O)N[C@@H]2CCCN(Cc3cccc(O)c3)C2)CC1 584887724 GAGXGFVZMCZIIB-QGZVFWFLSA-N 342.443 2.302 30 50 EEEA C/N=C(/NC[C@H]1CCOC1)N1CCN(c2cccc(Cl)c2)CC1 170626654 OURNLAZBCONHTL-CQSZACIVSA-N 336.867 2.074 30 50 EEEA C=CCN1C(=O)S/C(=C\c2ccccc2OCC(=O)OC)C1=O 15010926 CHJXJHAFJSVRDO-LCYFTJDESA-N 333.365 2.461 30 50 EEEA N#Cc1nccnc1N1CCN(Cc2ccccc2OC(F)F)CC1 65386781 MQABEMXTCHHSET-UHFFFAOYSA-N 345.353 2.272 30 50 EEEA COc1cccc2c1CCCCN2C(=O)[C@@H](C)n1cnc(C#N)n1 360245405 OFGMBEPOZZBUHU-GFCCVEGCSA-N 325.372 2.089 30 50 EEEA CN(Cc1nccs1)[C@@H]1CC12CCN(CCOCCC#N)CC2 339175201 PORHEZHPISNYBV-OAHLLOKOSA-N 334.489 2.360 30 50 EEEA O=C(CN1C=C/C(=C2\C=CC=[S+]2)N=C1)c1ccccc1[N+](=O)[O-] 328579956 YLFANRUCKZIPAB-SSZFMOIBSA-N 326.357 2.301 30 50 EEEA CN(CCOc1cccc(C#N)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O 240540883 GPYBSABMHZXHOL-DLBZAZTESA-N 336.457 2.225 30 50 EEEA C[C@H](CN)NC(=O)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 1875266150 BGDJMFDXXHMJGA-GHMZBOCLSA-N 329.429 2.389 30 50 EEEA CCOc1ccc(S(=O)(=O)NCc2cncc(C#N)c2)cc1C 1364962050 FMXMYYCZAPLPCA-UHFFFAOYSA-N 331.397 2.139 30 50 EEEA N#Cc1ccc(Br)c(Cn2nc3ccccn3c2=O)c1 191740985 VNFAOTWCZSYSCD-UHFFFAOYSA-N 329.157 2.178 30 50 EEEA N#Cc1ccccc1NC(=O)CSc1nc(-c2ccncc2)n[nH]1 7001906 BEBHSIAVHZOGLX-UHFFFAOYSA-N 336.380 2.469 30 50 EEEA CC(Nc1ccc(S(N)(=O)=O)cc1)=C1C(=O)c2ccccc2C1=O 100556366 ZKAVHJVHTCAARN-UHFFFAOYSA-N 342.376 2.099 30 50 EEEA CCn1ccnc(N2CCC(/N=C(/O)Cc3ccoc3)CC2)c1=O 328626855 FNKHZPNCQLZQHA-UHFFFAOYSA-N 330.388 2.024 30 50 EEEA N#Cc1ccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCCC2)cn1 952973807 HUZKNBWBCPLZJB-UHFFFAOYSA-N 348.366 2.388 30 50 EEEA Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(C#CC(C)(C)O)o2)n1 952977267 BNKVLZJVSIQTAG-AWEZNQCLSA-N 343.383 2.461 30 50 EEEA CC1(C)CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C#N 277521798 STOSVCPDATWDHB-CQSZACIVSA-N 337.401 2.439 30 50 EEEA CCOC(=O)c1cnc(CNC(=O)[C@](C)(C#N)CC)nc1C(F)F 2325879846 JTVQWUKSDTXWJG-HNNXBMFYSA-N 340.330 2.147 30 50 EEEA C=C(C)COc1cccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 55405215 BKECYANDABPJOH-IBGZPJMESA-N 344.455 2.465 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1cccc(C)c1 101773931 MQFJELARWFGEHX-RBOXIYTFSA-N 327.380 2.251 30 50 EEEA CCN1CCN(/C(O)=N/Cc2ccsc2)C[C@@H]1c1nccn1C 328625971 LGGLJQFKYCPLKN-CQSZACIVSA-N 333.461 2.274 30 50 EEEA CCCN1C[C@H](NC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)CC1=O 426690259 HTJRVHFTPNBVSG-GOSISDBHSA-N 348.406 2.361 30 50 EEEA C=CCN1C(=S)N[C@H]2c3cccc(OC)c3O[C@@]1(C)[C@H]2C(=O)OC 230104165 GGLBCXOVAQTRIJ-IGCXYCKISA-N 348.424 2.010 30 50 EEEA N#Cc1ccc(N2C[C@@H](c3nc(Cc4ccno4)no3)CC2=O)cc1 1875260136 MQMOJGLNQUAOQA-LBPRGKRZSA-N 335.323 2.041 30 50 EEEA CC(C)(C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc([N+](=O)[O-])c1 169919449 MOGJLCAUYCKDQQ-UHFFFAOYSA-N 348.208 2.422 30 50 EEEA COC(=O)[C@@H]1C(=O)/C(=C/NCCc2ccccc2)C(=O)CC1(C)C 100318986 OCLUNMZKXQGIFE-GRNBYLDVSA-N 329.396 2.060 30 50 EEEA C[C@@H]1CCN(C(O)=Nc2cnc3c(c2)CCCC3)CCS1(=O)=O 330258124 RBUYDELAWYJVHP-GFCCVEGCSA-N 337.445 2.015 30 50 EEEA C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1 333247347 XMHHNEAMEOPKQT-SJORKVTESA-N 349.475 2.200 30 50 EEEA C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC(=O)N1 296387768 WMSUPROCEARNKZ-CQSZACIVSA-N 349.390 2.098 30 50 EEEA O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)o1 442581 OCTXGVIUUIMAHQ-NTUHNPAUSA-N 329.721 2.154 30 50 EEEA N#Cc1cnc(N2CCN(C(=O)CCCc3ccccc3)CC2)cn1 123092451 LEKJAQNJJGNCLS-UHFFFAOYSA-N 335.411 2.020 30 50 EEEA C#CCCC1(CCC(=O)N(C)Cc2ccc3c(c2)oc(=O)n3C)N=N1 2325899939 FPOVHXYLJDZDBW-UHFFFAOYSA-N 340.383 2.446 30 50 EEEA N=C(O)c1cccc(/C(O)=N/C[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)c1 330286909 AXFZBEXJEDQDDX-YAWFMJGPSA-N 338.407 2.383 30 50 EEEA C[C@H]1OCCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]1C(N)=O 285254740 RJHFDWQKYGOVID-KUHUBIRLSA-N 335.407 2.300 30 50 EEEA C=CC[C@@]1(CO)CCCN(CCCOc2ccc(C(N)=O)cc2)C1 91877126 AWTZCRNJZPSGJH-LJQANCHMSA-N 332.444 2.205 30 50 EEEA COCCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc(C)c(C#N)c1 299795259 LLKRECCJOHFYRF-CYBMUJFWSA-N 342.403 2.377 30 50 EEEA CC#CCNC(=O)NCc1cc(Br)c(OC)c(OC)c1 135290039 OJZDBVMLDQWNJO-UHFFFAOYSA-N 341.205 2.289 30 50 EEEA C=CCOc1ccc(CN2C[C@@H]3CCOC[C@]3(C(=O)O)C2)cc1OC 1857669313 ZHHQUCNGTQVBEU-HNAYVOBHSA-N 347.411 2.183 30 50 EEEA C=C(C)CN1CCC(NC(=O)N2CC[C@H](C3CCOCC3)C2)CC1 253400406 DORBECDCDBCNAD-KRWDZBQOSA-N 335.492 2.485 30 50 EEEA C#CCCC1(CCNC(=O)CCc2c[nH]c(C)c2C(=O)OC)N=N1 2325900264 RJSDBOUTUXLSSV-UHFFFAOYSA-N 330.388 2.124 30 50 EEEA C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)Oc1cccc(Cl)c1 281709903 CSDFTMAHDZYFQV-VXGBXAGGSA-N 345.852 2.033 30 50 EEEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ncccc1C#N 328634088 MMMFGAIOKVWFPW-KBPBESRZSA-N 331.420 2.459 30 50 EEEA O=S1(=O)CCCN(/C(O)=N/[C@@H]2CCc3c(Cl)cccc32)CC1 329024087 UTPVFYIGVXCPDO-CQSZACIVSA-N 342.848 2.362 30 50 EEEA N#Cc1ccccc1OCC(=O)NC[C@H]1CC(=O)Nc2ccccc21 370155064 CCBRUWNIDVRAAS-CQSZACIVSA-N 335.363 2.179 30 50 EEEA C=C(C)COC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 170602228 OSHYTJFYCSNZJI-LJQANCHMSA-N 342.395 2.495 30 50 EEEA C=C(Cl)CS(=O)(=O)NCc1ccc(C)nc1N1CCCC1 170608437 ICRLSEWATGOEDR-UHFFFAOYSA-N 329.853 2.162 30 50 EEEA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(C#N)oc2C)C1 330549010 BHEZZLRCQUTYFL-GXFFZTMASA-N 343.305 2.131 30 50 EEEA N#Cc1cnn2c(=O)nc(S[C@H]3CCc4c(F)cc(F)cc43)[nH]c12 2325873832 VRVRJHVINGEYBC-LBPRGKRZSA-N 345.334 2.347 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)N=N1 2325891513 LTTJSEHZSYGMBB-AWEZNQCLSA-N 345.424 2.029 30 50 EEEA CN/C(=N\[C@@H](C)[C@@H]1CCCO1)NC[C@H](c1ccco1)N1CCCC1 230119499 LLFGCWIAQKMOAO-XHSDSOJGSA-N 334.464 2.149 30 50 EEEA CC(=O)NCc1ccc([C@H]2CCCN2Cc2cc(C#N)n(C)c2)o1 373817880 GAYRTIGUCDMYAG-QGZVFWFLSA-N 326.400 2.463 30 50 EEEA N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1C[C@]1(C(=O)O)c1ccccc1)C2 905126404 OYJAGFNJGCCULF-OPYAIIAOSA-N 346.386 2.184 30 50 EEEA N#Cc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cn1 218183135 JAQFGDAMCPZEBV-QZTJIDSGSA-N 337.379 2.057 30 50 EEEA C=CCN1C(=S)N(c2ccc(CC)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 1064005 FVXIXCWTNABXHN-GJZGRUSLSA-N 336.482 2.008 30 50 EEEA CN(C)c1noc([C@H]2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])C2)n1 225429234 QEILPDWJDOSPDR-LBPRGKRZSA-N 342.359 2.299 30 50 EEEA CC[C@@H](SC)/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1cncnc1 328649858 VGPAXZBHGPYYIS-MELADBBJSA-N 326.441 2.487 30 50 EEEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1cnns1 328639242 WUALZBSTRBWWCP-ZETCQYMHSA-N 331.323 2.321 30 50 EEEA CC(=O)N1CC[C@H](NC(=O)c2ccc(C#N)c(C)n2)c2ccccc21 362736035 MKGHGILKPOGYIL-INIZCTEOSA-N 334.379 2.489 30 50 EEEA N#CC1(c2ccccc2)CCN(c2ncnc3c2CCNCC3)CC1 72424525 SLJNFSFWXQJXRK-UHFFFAOYSA-N 333.439 2.227 30 50 EEEA N#Cc1ccc(N2CCC(NC[C@H](CO)c3cccnc3)CC2)cc1 367553598 PYHYEFDRGARJEQ-GOSISDBHSA-N 336.439 2.288 30 50 EEEA CC1(C)OB(c2cc(C(F)(F)F)cc3c2CC(=O)N3)OC1(C)C 498050964 YWRSCIUJJDJKLM-UHFFFAOYSA-N 327.111 2.499 30 50 EEEA C=CCOc1ccccc1C(=O)N(CCOC)C[C@@H](O)C(F)(F)F 655195882 OGRFFNDMDUFPIJ-CQSZACIVSA-N 347.333 2.263 30 50 EEEA Cc1cccc(S(=O)(=O)N[C@@H](CC(=O)O)c2ccccc2)c1C#N 760099321 JWDREQINNHVZBK-HNNXBMFYSA-N 344.392 2.361 30 50 EEEA Cn1cc(/C(O)=N/C[C@H](CO)[C@@H]2CCOC2)c(C2CCCCC2)n1 330068468 GIYJHCRETSYFBA-HUUCEWRRSA-N 335.448 2.417 30 50 EEEA CC(C)N1CCN(CCCN2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 253398328 JUVWKWQPYTZJFB-WOJBJXKFSA-N 348.535 2.330 30 50 EEEA C[C@H]1CCC[C@@H](C)N1C/C(N)=N/OCC(=O)N[C@H]1CCCC[C@H]1C 239882361 DBKVBVWKMFISSP-WCVJEAGWSA-N 338.496 2.233 30 50 EEEA C/N=C(/NCc1ncnn1C)N[C@H](C)c1cccc(C(F)(F)F)c1 86651853 ITIKFAFPZJRCHY-SNVBAGLBSA-N 340.353 2.260 30 50 EEEA N#Cc1cc(NC(=O)NCc2nccs2)ncc1Br 170089641 BFBGVQFJOANUCU-UHFFFAOYSA-N 338.190 2.494 30 50 EEEA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 190565099 DTYZIYNKFPSYOS-CYBMUJFWSA-N 343.456 2.245 30 50 EEEA CC[C@H]1C[C@@H]1CNC(=O)N1CCCN(c2ncccc2C#N)CC1 1857528832 QRFVILAMWOFTKF-GOEBONIOSA-N 327.432 2.221 30 50 EEEA CC[S@](=O)[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(C#N)c1 225293781 TUWPUVVBVBRYHG-SYJLOODJSA-N 333.457 2.437 30 50 EEEA C#CCCC1(CCNC(=O)c2cc(F)c3nc(COC)cn3c2)N=N1 2325891473 IXEBTBTYAWOEDN-UHFFFAOYSA-N 343.362 2.315 30 50 EEEA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccc(C#N)cc1 286703096 FTIILNFRYUZIEZ-KZNAEPCWSA-N 328.412 2.143 30 50 EEEA N#Cc1cncc(N2C[C@@H](O)C[C@@H]2c2ccc(Br)cc2)n1 1875288169 QABXPOMZIHYKAG-UONOGXRCSA-N 345.200 2.423 30 50 EEEA C=C[C@@](C)(O)CC(=O)N1CC(C)(c2nnc(-c3ccccc3F)o2)C1 952891570 GGJQJRLNXDSIDY-GOSISDBHSA-N 345.374 2.303 30 50 EEEA COc1ccc(CN[C@H]2CCO[C@@H](c3cncn3C)C2)cc1C#N 275662342 VCZMXUSLXVAMHR-MAUKXSAKSA-N 326.400 2.310 30 50 EEEA CCc1nnc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)c(C#N)c1CC 170088718 KUXPEAFYYAGFRM-MRXNPFEDSA-N 340.431 2.146 30 50 EEEA N#Cc1c(F)ccc2[nH]c(C(=O)NC3(CO)Cc4ccccc4C3)cc12 2325851036 NKXFKOXTHPVZJJ-UHFFFAOYSA-N 349.365 2.438 30 50 EEEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(O)cc1 4312020 KRLLOCBYYQXZLU-HNNXBMFYSA-N 343.335 2.210 30 50 EEEA biogenic N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCCc3[nH]cnc32)CC1 253420994 OEXMBJSCORZMLF-MRXNPFEDSA-N 349.438 2.440 30 50 EEEA COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C)c1C(=O)O 361634648 BYWSJMXQAPRPRB-UHFFFAOYSA-N 346.364 2.374 30 50 EEEA Cc1conc1N/C(O)=N/[C@@H](c1nc(C(C)C)no1)C1CCOCC1 328631463 QZHWYIOBQIJEGF-GFCCVEGCSA-N 349.391 2.983 30 50 EEEA COc1ccc(-c2cncc(C(=O)N3CCN(C)[C@H](C#N)C3)c2)cc1 372182883 WRKHEVCXJHJLLQ-QGZVFWFLSA-N 336.395 2.037 30 50 EEEA CC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@H]1Cc1ccccc1 82097701 JHXYWCUAQIODCL-GOSISDBHSA-N 333.391 2.365 30 50 EEEA COCC[C@H](NS(=O)(=O)c1ccsc1C#N)c1cccnc1 952994348 RRJUTIYZBZSNSV-LBPRGKRZSA-N 337.426 2.071 30 50 EEEA C[C@@H]1CC[C@H](CS(=O)(=O)N2CCC(c3ccc(C#N)cn3)CC2)O1 1875297690 AMBACLNPNZBAJS-CZUORRHYSA-N 349.456 2.030 30 50 EEEA COc1nccc(N[C@H]2CCOC[C@@H]2OCc2ccccn2)c1C#N 1565515961 QAVYVIUWRQHJGL-IRXDYDNUSA-N 340.383 2.143 30 50 EEEA CSc1nc(C(C)(C)C)c(=O)n(/N=C/c2ccc3c(c2)OCO3)n1 2546669 JBFPLTDIMPSSOY-CAOOACKPSA-N 346.412 2.269 30 50 EEEA CC(C)n1cc(C#N)c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)n1 161190304 GURLYITWYCWCKS-GFCCVEGCSA-N 329.404 2.065 30 50 EEEA C#CC[C@H](OC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccn1 155962526 GIBCABVFHVVLNW-YJBOKZPZSA-N 349.390 2.133 30 50 EEEA CC(C)n1cc([C@]2(O)CCCN(c3cccc(F)c3C#N)C2)nn1 284445417 GAUCOBBVLMKZPO-KRWDZBQOSA-N 329.379 2.358 30 50 EEEA COc1ccccc1N1CCN(C(=O)c2ccccc2C#N)CC1=O 82160655 ZTDASUMULWFEHO-UHFFFAOYSA-N 335.363 2.056 30 50 EEEA COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=C[C@]14O[C@@H]4CN3CCC2 96023762 JCKPCZAYDZJZIL-NDSDBLNTSA-N 343.423 2.273 30 50 EEEA COCc1nc([C@H]2CN(c3ccc(C)c(C#N)n3)C[C@@H]2C2CC2)n[nH]1 952851335 YHZVHEFPZWOIBO-KGLIPLIRSA-N 338.415 2.156 30 50 EEEA CS[C@@H]1CCN(C(=NCc2noc(C(C)(C)C)n2)NC2CC2)C1 1875357117 ZHSGNYAVTXYWQY-GFCCVEGCSA-N 337.493 2.412 30 50 EEEA Cc1nc(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)ccc1C#N 171958507 NQQMHMSMHZDDJX-OAHLLOKOSA-N 338.415 2.454 30 50 EEEA C=CCOc1cccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1 1529113021 WTADOAAYCWKARS-VQIMIIECSA-N 325.412 2.077 30 50 EEEA C[C@@H]1CN(/C(O)=N/CC2CCC(F)(F)CC2)C[C@@H]1N1CCOCC1 328586315 YKLINSFMUUIFHB-HIFRSBDPSA-N 345.434 2.378 30 50 EEEA CCn1ncc(S(=O)(=O)Nc2cc(C(C)(C)C)sc2C#N)n1 2325853088 CTIUQXFRYQZBKF-UHFFFAOYSA-N 339.446 2.329 30 50 EEEA C=C(C)Cn1c(=O)c2c(nc3n(-c4ccccc4)c(C)cn23)n(C)c1=O 6791306 GZZQSEHRFJTZHM-UHFFFAOYSA-N 349.394 2.023 30 50 EEEA CO[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 225711904 QYLAWDOHDQAYNQ-MNOVXSKESA-N 348.346 2.423 30 50 EEEA N#Cc1ccc(Cl)c(S(=O)(=O)N2CCO[C@H](C3CC3)C2)c1 253431759 SZXQGMQMWGPUBH-ZDUSSCGKSA-N 326.805 2.011 30 50 EEEA COCCCN1C[C@@]2(CCCN(c3cccc(C#N)n3)C2)CCC1=O 72433414 WQMBKTYHIZMJCW-IBGZPJMESA-N 342.443 2.199 30 50 EEEA Cc1ccc(S(=O)(=O)/N=C(\O)NN2CCC(C)(C)CC2)cc1 71770147 JZEXNHXRNGALAN-UHFFFAOYSA-N 325.434 2.224 30 50 EEEA Cn1cnnc1[C@H]1CCCN(c2ncc(Br)cc2C#N)C1 296614592 UHVYHPDPNOGTDU-JTQLQIEISA-N 347.220 2.228 30 50 EEEA C=C(Cl)C[C@H](NS(=O)(=O)c1cccc2c1CCCC2)C(=O)O 863420518 LHSRKPSPJHBPMZ-ZDUSSCGKSA-N 343.832 2.440 30 50 EEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OC)c1OC 4113571 HUMIAESKSKEUHI-CQSZACIVSA-N 332.356 2.061 30 50 EEEA N#Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1 225514373 WCHAZWVHQVUUON-DOTOQJQBSA-N 346.383 2.194 30 50 EEEA C=CCN1CC[C@H](N2CCN(Cc3ccccc3)CC2)CCC1=O 20780988 IAKFLKTVDAVTQZ-LJQANCHMSA-N 327.472 2.371 30 50 EEEA Cc1cccc(C/N=C(/O)CN2CCC(n3cnnc3O)CC2)c1 328598998 PRUCKRGWXVKHBV-UHFFFAOYSA-N 329.404 2.086 30 50 EEEA Cc1ccc([C@H](C/N=C(/O)N2CC[C@](F)(CO)C2)N2CCCC2)cc1 328678057 AXPLMQJMDJBSNW-PKOBYXMFSA-N 349.450 2.452 30 50 EEEA CC(C)OCCN1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 122826116 XTNGPGHMYOADSD-UHFFFAOYSA-N 337.370 2.019 30 50 EEEA O/C(=N/[C@@H]1CCCn2ncnc21)[C@H]1[C@H](C(F)(F)F)[C@H]2CC[C@H]1O2 329819969 GILGLPBTTGBZJZ-ISUQUUIWSA-N 330.310 2.425 30 50 EEEA Cc1nc(O)cc(C2CCN(Cc3cc(C#N)n(C)c3C)CC2)n1 72166254 MKMWMPIPVJAQIS-UHFFFAOYSA-N 325.416 2.389 30 50 EEEA CN1CCC(Oc2ccc(CNC(=O)CSCC#N)cc2)CC1 241121904 JEQQAKLDCMRVAR-UHFFFAOYSA-N 333.457 2.033 30 50 EEEA C=CCNC(=O)CN1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 244601812 DSCBQIZGQPWKNU-NLWGTHIKSA-N 328.456 2.441 30 50 EEEA COc1ccccc1CCNC(=O)c1ccc(C#CC(C)(C)O)o1 824819775 WPSQMBFDUDHEOO-UHFFFAOYSA-N 327.380 2.383 30 50 EEEA C#CCOc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)cc1 408520438 FDSVLLICUSCFEI-YJBOKZPZSA-N 339.395 2.082 30 50 EEEA C=CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)NC1=S 5043984 KCKSBOLCZRJRHH-QINSGFPZSA-N 341.436 2.100 30 50 EEEA N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1CC(=O)O 905191376 VDHRDFZDVXJXKA-GFCCVEGCSA-N 342.804 2.230 30 50 EEEA Cc1nnc(SCCCNC(=O)C2=CC(=O)CC(C)(C)O2)s1 55359075 CZASVUXWABJHTH-UHFFFAOYSA-N 341.458 2.097 30 50 EEEA C=C(C)COc1ccccc1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 55053480 FKBYNZQLVJVILM-AWEZNQCLSA-N 328.412 2.382 30 50 EEEA COc1ccc(S(=O)(=O)N/N=C(\C)c2ccccc2C(=O)O)cc1 22342362 NNVJFKWBOIKHEE-GZTJUZNOSA-N 348.380 2.096 30 50 EEEA C=CCc1cc(OC)ccc1OCCOCCN1CCN(C)CC1 22309624 GOROSMJECOSLQN-UHFFFAOYSA-N 334.460 2.067 30 50 EEEA Cc1ccc(S(=O)(=O)N/N=C\c2ccc3c(c2)OCO3)c(C)c1 32578339 FCBLLKHQWIKTHW-MFOYZWKCSA-N 332.381 2.345 30 50 EEEA N#Cc1cnn(-c2ccccc2)c1N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875399070 NSNTWIAVBIFXPB-BMGDILEWSA-N 348.410 2.192 30 50 EEEA C#CCCCCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)C(CC)CC 1775988916 QTOLSVHQWRPMMI-QGZVFWFLSA-N 338.492 2.284 30 50 EEEA C=CCC[C@@H](NC(=O)Cc1ccc(OCCOC)cc1)C(=O)OCC 408520574 MPNRDYDXVDFZEN-QGZVFWFLSA-N 349.427 2.268 30 50 EEEA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)c1cc(C#N)ccn1 170609228 IYQXNYKLNGICDK-UHFFFAOYSA-N 333.417 2.173 30 50 EEEA CCO[C@@H]1C[C@@](O)(CNC(=O)c2c(F)cc(C#N)cc2F)C1(C)C 191785948 WBIVJVGNUVDANG-CXAGYDPISA-N 338.354 2.132 30 50 EEEA CN(C)[C@@H]1CCCN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC1 1506401003 YLKPJHXLQBGACD-GOSISDBHSA-N 328.456 2.365 30 50 EEEA N#Cc1ccc(NCCNS(=O)(=O)c2ccc(Cl)s2)cn1 128745175 LAWFSZBJNHALAG-UHFFFAOYSA-N 342.833 2.059 30 50 EEEA C#CCCOc1ccc(C(=O)Nc2c(C(N)=O)n[nH]c2C(C)C)cc1 837188243 JRULMKPFVXSJJQ-UHFFFAOYSA-N 340.383 2.286 30 50 EEEA CN(C)[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1n1ccnn1 859755620 VJZNMIVSIFZXEN-MSOLQXFVSA-N 338.459 2.066 30 50 EEEA CC1(C)CCc2sc(NC(=O)[C@@H]3CCc4nnnn4C3)c(C#N)c21 2325814568 MYIQPGVRNQAERJ-SECBINFHSA-N 342.428 2.031 30 50 EEEA C=CCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C 79509 POAYRZMVXBIWRP-UHFFFAOYSA-N 346.387 2.041 30 50 EEEA C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 230187388 NPPGQFRUEAHBHX-MPPDQPJWSA-N 333.461 2.352 30 50 EEEA COCCN1CCCN(C(O)=Nc2ccc(F)c(C3CC3)c2)CC1=O 328588661 ULZGQTMJGGPULE-UHFFFAOYSA-N 349.406 2.429 30 50 EEEA C[C@@H]1CCO[C@@H]1/C(O)=N/[C@H]1CCCC[C@H]1n1cc(C(C)(C)O)nn1 328604851 LLORZJRKEVSKPO-COMQUAJESA-N 336.436 2.371 30 50 EEEA O/C(Cc1cc[nH]n1)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328645928 ZUUDOQFFKWEWAC-VIFPVBQESA-N 327.310 2.387 30 50 EEEA CCc1nn(Cc2nnc(C3CC3)n2C2CC2)c(=O)c(C#N)c1CC 181111249 LBNMIEHDHPPKAU-UHFFFAOYSA-N 338.415 2.092 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(Cc3cccnc3)CC2)N=N1 952882033 RGZKVAXLOIZAPL-UHFFFAOYSA-N 325.416 2.082 30 50 EEEA C[C@@H](CCc1ccccc1)NS(=O)(=O)CCO[C@H](C#N)C1CC1 1775989578 QAMFKHCJBWFAJT-WMLDXEAASA-N 336.457 2.246 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)c1c(C)noc1C 170627078 HVJQAPMVTGEJNK-SNVBAGLBSA-N 347.396 2.080 30 50 EEEA CC1(C)Cc2ccccc2/C(=N/c2ccc(S(N)(=O)=O)cc2)N1 18229989 CNLBZZDJOFNELQ-UHFFFAOYSA-N 329.425 2.337 30 50 EEEA N#C[C@@H]1CN(Cc2cnn(Cc3ccc(F)cc3)c2)CCN1C1CC1 377008491 AOSVMLSIBNXGPT-LJQANCHMSA-N 339.418 2.243 30 50 EEEA C=CCn1c(SCC(N)=O)nc2scc(-c3ccco3)c2c1=O 466617 FSYBELMAKCTLKX-UHFFFAOYSA-N 347.421 2.481 30 50 EEEA CN(C)c1ncccc1O[C@@H]1CCN(/C(O)=N/Cc2cscn2)C1 328617898 DEHBAYIEYYRFFA-CYBMUJFWSA-N 347.444 2.171 30 50 EEEA N#Cc1ccc(S(=O)(=O)Nc2cncnc2-c2ccccc2)cn1 253419257 LDQVZWHNTHNMNM-UHFFFAOYSA-N 337.364 2.211 30 50 EEEA N#CC1CCN(C(=O)N[C@H]2CCCN(Cc3cccc(O)c3)C2)CC1 584887723 GAGXGFVZMCZIIB-KRWDZBQOSA-N 342.443 2.302 30 50 EEEA C=CCn1c(N/N=C2/C(=O)Nc3ccccc32)nc2ccccc2c1=O 5382834 PJKXXQQNDUYXJS-UHFFFAOYSA-N 345.362 2.351 30 50 EEEA C#CCCC1(CCNC(=O)c2cnn(Cc3ccccc3)c2N)N=N1 2325891471 IWLDFWTVOVSBLG-UHFFFAOYSA-N 336.399 2.209 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H](c3ocnc3C(=O)O)C2)N=N1 2325901070 SJJDOQFWGAJIER-GFCCVEGCSA-N 344.371 2.435 30 50 EEEA C=CCn1c(N)cc(=O)nc1S[C@@H](C)C(=O)Nc1ccc(C)cc1 472535 NZDVNTRLDKNYCP-LBPRGKRZSA-N 344.440 2.439 30 50 EEEA C#CCOc1c(Cl)cc(/C=C2\NC(=S)N(C)C2=O)cc1OC 4754450 LCJMLLMUFZALKC-XFFZJAGNSA-N 336.800 2.048 30 50 EEEA N#Cc1ccccc1N1CCCN(C(=O)Cc2ccc(F)cn2)CC1 253418743 YLGCRBBMBQWVJB-UHFFFAOYSA-N 338.386 2.374 30 50 EEEA N#CC1(c2ccc(C(=O)N3CCc4ccccc4[C@H]3C(N)=O)cc2)CC1 361773170 GRXVKTMQHNOIQF-SFHVURJKSA-N 345.402 2.467 30 50 EEEA Cc1c(/C=C/C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cnn1C 371362493 WKYUPVOZEIGHDA-IPLHWJFFSA-N 336.395 2.214 30 50 EEEA C[C@@H](NC(=O)c1ccc(C#N)nc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 826783290 LWWZQWXCFUNMJA-IGDFAFLASA-N 325.412 2.403 30 50 EEEA Cn1ccnc1[C@H]1[C@H](NCc2ccc(C#N)cc2)CCC(=O)N1C1CC1 886085149 CRHOCVSAYMLWBV-IEBWSBKVSA-N 349.438 2.276 30 50 EEEA CC[C@@H](C#N)NC(=O)c1cc(I)ccc1O 190862099 MBZXDFMPTMAJEN-QMMMGPOBSA-N 330.125 2.029 30 50 EEEA CN(C)c1ccnc(N=C(O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)n1 328587584 CDTOSYWQPRBDCJ-CHWSQXEVSA-N 345.403 2.269 30 50 EEEA COc1ncc(-c2c(C#N)c(N)nc3c2CCc2cc(O)ccc2-3)cn1 71712117 VHOXVLDCLXXBEN-UHFFFAOYSA-N 345.362 2.472 30 50 EEEA CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)c1cccc(SCC#N)c1 241862522 SQVAWMOCFPKNDO-UKRRQHHQSA-N 336.457 2.190 30 50 EEEA C[C@@]1(CO)COCCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 2325801028 RMPOKVSRGDNKIO-LJQANCHMSA-N 342.439 2.227 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2nc(C(C)C)ns2)C1 328610198 GYFFBNGQFQRQAP-AWEZNQCLSA-N 336.421 2.435 30 50 EEEA N#Cc1ccc(C(=O)N2CCN([C@H]3CCc4ccccc4C3)CC2)cn1 72162660 SIMUYVDMWYCAGL-FQEVSTJZSA-N 346.434 2.269 30 50 EEEA C=CCOc1cc(OC)ccc1C(=O)N1CCN2C[C@@H](F)C[C@H]2C1 1298333126 SHJAEGJNAOPKRK-KBPBESRZSA-N 334.391 2.128 30 50 EEEA CC(=O)N1C[C@H](NC(=O)C2(C#N)CCCC2)CC[C@H]1C(F)(F)F 886034146 XSKVVOJGJYZGRC-NEPJUHHUSA-N 331.338 2.128 30 50 EEEA CCCc1nc(C)c(C(=O)N2CCC(C#N)(C(=O)OC)CC2)s1 408519797 FGDDTHLWCISBAN-UHFFFAOYSA-N 335.429 2.323 30 50 EEEA Cc1c(C(=O)N[C@H]2CCC[C@@H]2C#N)sc2nc3n(c(=O)c12)CCC3 170651924 XZXRGUUQEHRJEH-MNOVXSKESA-N 342.424 2.135 30 50 EEEA O=C(O)c1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1 731856 XNHAWMCIQWGRNP-RQZCQDPDSA-N 325.353 2.209 30 50 EEEA O=C1N/C(=N/S(=O)(=O)Cc2ccccc2)S/C1=C\c1ccco1 13756854 HJSNMHSIGOWCEJ-LCYFTJDESA-N 348.405 2.370 30 50 EEEA CS(=O)(=O)N[C@H]1CCCN(c2ccc(C(F)(F)F)cc2C#N)C1 131385432 PILYOHYLZOSILV-LBPRGKRZSA-N 347.362 2.095 30 50 EEEA N#Cc1ccc(CNC(=O)Cn2cc(-c3ccccc3F)nn2)cc1 2325776551 YBKBUJLZYAKILU-UHFFFAOYSA-N 335.342 2.272 30 50 EEEA C=CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 4840656 OHVAUKZQTXJQMP-UHFFFAOYSA-N 336.457 2.476 30 50 EEEA CC(C)n1ncc2c1C[C@H](/N=C(/O)[C@@H]1CCCCS1(=O)=O)CC2 330013332 LZRAMTLBXNBGOW-HIFRSBDPSA-N 339.461 2.245 30 50 EEEA CNC(=O)COc1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1 253416968 YVVZALUIOYUPGD-UHFFFAOYSA-N 327.296 2.384 30 50 EEEA CCn1ccnc1[C@@H](Nc1nc(C)cc(C#N)n1)C1CCOCC1 284654612 VRHQCDJWUNGQDL-HNNXBMFYSA-N 326.404 2.453 30 50 EEEA Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCc3ncc(C)o3)C2)n1 241371259 MLTOAEPHWUYWLS-OAHLLOKOSA-N 339.399 2.091 30 50 EEEA C=CC[C@@H](C(=O)N1CC(N2CCN(CC)CC2)C1)c1ccccc1 952880377 NULWCUZWELQNPW-LJQANCHMSA-N 327.472 2.195 30 50 EEEA Cc1ccc(C#N)c(NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)n1 888102745 KAMXBNHWHUTQDL-PBHICJAKSA-N 338.415 2.017 30 50 EEEA CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 93529 DLZHSORVYNBXCC-CXUHLZMHSA-N 347.400 2.448 30 50 EEEA N#Cc1csc(CN2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)c1 328627228 FWWVHUYEGVELPC-CYBMUJFWSA-N 343.412 2.232 30 50 EEEA O/C(=N/[C@@H]1CCCC(F)(F)C1)N1CCO[C@@H](Cn2cccn2)C1 330222672 MPZSBIDXQYXTJL-CHWSQXEVSA-N 328.363 2.076 30 50 EEEA N#CC1(NC(=O)CCc2ccncn2)CCN(Cc2ccccc2)CC1 253429946 DMSSHZAZKJCSJF-UHFFFAOYSA-N 349.438 2.084 30 50 EEEA CC[C@@H]1CN(C(=O)C2(C#N)CC2)CCC(=O)N1Cc1ccccc1 71708122 DPINVZIKDNTSPM-MRXNPFEDSA-N 325.412 2.330 30 50 EEEA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1 245310711 KCZFLFYOLLDLKV-BVWSPWDGSA-N 343.364 2.043 30 50 EEEA CCOCCN1CCN(c2nc3c(cc2C#N)CCC3)C[C@@H]1CC 264783639 RFIHCYIBDAQTHT-KRWDZBQOSA-N 328.460 2.379 30 50 EEEA C#CCN1CCC(C(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 265262454 IQGDBWOCPTUEPG-IBGZPJMESA-N 342.483 2.479 30 50 EEEA C=CCN(CC(=O)O)S(=O)(=O)c1cscc1C(F)(F)F 2325772450 VPOOXGPHKYGJCO-UHFFFAOYSA-N 329.321 2.028 30 50 EEEA COCc1cc(C)n(CC(=O)Nc2ccccc2Cl)c(=O)c1C#N 4384497 GRNNIRMXFCJNOH-UHFFFAOYSA-N 345.786 2.467 30 50 EEEA O=C(CO/N=C\c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)O 4996151 NBHYYQAAUDSZEA-MFOYZWKCSA-N 343.295 2.282 30 50 EEEA Cc1cc(C)n(C[C@@H](C)NC2CCN(c3ncccc3C#N)CC2)n1 67472829 BNKYWFMMBUXAEY-OAHLLOKOSA-N 338.459 2.414 30 50 EEEA N#C[C@@H]1CN(Cc2ccnn2-c2ccc(F)cc2)CCN1C1CC1 366256225 UEONEBRQHSOZKC-GOSISDBHSA-N 325.391 2.184 30 50 EEEA COC[C@H]1CN(CCOc2ccc(C#N)cc2OC)CC(C)(C)O1 284558834 NGVPLYLVRDSJDC-OAHLLOKOSA-N 334.416 2.071 30 50 EEEA CC1(C)CC(=O)C=C(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)O1 23619591 JVMJCAXOXBBJEP-LLVKDONJSA-N 348.424 2.162 30 50 EEEA C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 305869734 NZEDSSDZSQVECF-MFKMUULPSA-N 328.821 2.136 30 50 EEEA C=CCn1c(C)c(C=C2C(=O)NC(=S)NC2=O)c2ccccc21 444323 LVBFISRNKUSKHO-UHFFFAOYSA-N 325.393 2.050 30 50 EEEA C[C@H](c1nnc(O)[nH]1)n1ccnc1-c1ccc(C#CC(C)(C)O)s1 71404090 AUOYCUZOBQYMKO-SNVBAGLBSA-N 343.412 2.167 30 50 EEEA CCn1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)c(C)n1 20607157 SWERJGBBUJBWAW-OAHLLOKOSA-N 326.404 2.461 30 50 EEEA N#Cc1cccc(N[C@@H]2CCN(C(=O)[C@@]3(C(=O)O)CC=CCC3)C2)c1 1875267390 VUWLOEILMRRFIO-VQIMIIECSA-N 339.395 2.382 30 50 EEEA C=CCC[C@@H](CN1CCCC1)Oc1ccc(CS(C)(=O)=O)cn1 67872658 DKFYPYONGXUTKD-INIZCTEOSA-N 338.473 2.436 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NC[C@@H]2OCCc3ccccc32)o1 65430828 VDIKSVPQXUHMNH-SFHVURJKSA-N 339.391 2.446 30 50 EEEA O=S1(=O)CC[C@H](/N=C(/O)CC/N=C(/O)[C@@H]2CC23CCCC3)C1 329965578 RHJWVPPXTWXSSA-RYUDHWBXSA-N 328.434 2.057 30 50 EEEA OCC#Cc1csc(CN2CCCO[C@@H](CN3CCCCC3)C2)c1 828644556 DMXOGIWVGICPPW-SFHVURJKSA-N 348.512 2.169 30 50 EEEA CN(CCC#N)C(=O)CCN1CCC[C@H]1c1nc2c([nH]1)CCCC2 275957641 MPPKHXPXJATOGC-INIZCTEOSA-N 329.448 2.188 30 50 EEEA CCOC(=O)C1=C2c3ccccc3CC3(CCCC3)N2C(=O)C1=O 2145498 YABSGFOOVSWPFR-UHFFFAOYSA-N 325.364 2.241 30 50 EEEA biogenic CCN(C(C)=O)c1nc(/C=C2/S/C(=N/C3CC3)NC2=O)cs1 849251328 DDYWIHQARQAWFC-IZZDOVSWSA-N 336.442 2.238 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CCCS3)CC2)c(F)c1 125130212 UCHSPLIUDGSBMF-CQSZACIVSA-N 348.447 2.425 30 50 EEEA C=CC[C@]1(CO)CCCN(C(=O)CCN2Cc3ccccc3C2=O)C1 91620613 JXBHSCHRDAGRFS-FQEVSTJZSA-N 342.439 2.210 30 50 EEEA CCc1nnc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)o1 534577689 HDCLYHODZCHARJ-UHFFFAOYSA-N 325.368 2.455 30 50 EEEA C=C(C)COc1cccc(CNCCS(=O)(=O)N2CCCC2)c1 55042619 QBDGLMVKGAPACZ-UHFFFAOYSA-N 338.473 2.157 30 50 EEEA Cc1n[nH]cc1C/N=C(/O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 328621888 IATRIGSRHQLBCY-RDJZCZTQSA-N 342.447 2.152 30 50 EEEA CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CC[C@H](O)C3 1535513 JDTZAGLGBRRCJT-JTQLQIEISA-N 330.409 2.217 30 50 EEEA biogenic,in-vitro N#Cc1ccc(OC2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)cc1 130592008 UZSLUILXGHMVGG-UHFFFAOYSA-N 337.335 2.299 30 50 EEEA C#CCCC1(CCC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)N=N1 952882319 UFFYEDTZEWBYNJ-OAHLLOKOSA-N 340.431 2.260 30 50 EEEA N#Cc1ccc(C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)nc1 328631273 QSYLPYWLRWSZGY-NSHDSACASA-N 349.316 2.161 30 50 EEEA CCOc1cccc(/C=N/NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 17072524 UCVSOOJAXBQXMC-LFIBNONCSA-N 349.368 2.306 30 50 EEEA C=CCn1c(SCc2nnc(C)s2)nnc1C1CCNCC1 426538614 QRJGEKDAVBEDEG-UHFFFAOYSA-N 336.490 2.383 30 50 EEEA C=CCc1cc(CN2CCc3ncnc(OC)c3C2)c(O)c(OC)c1 164252809 LFAOXMUDKSNKAS-UHFFFAOYSA-N 341.411 2.486 30 50 EEEA CC(=O)c1ccc(N2CCOCC2)c(B2OC(C)(C)C(C)(C)O2)c1 170004145 BFVQIOZEIDBEPR-UHFFFAOYSA-N 331.221 2.025 30 50 EEEA CCCc1n[nH]c(/N=C(\O)N(C)Cc2noc(-c3ccccc3)n2)n1 23337328 CBLQNEODQGXHGY-UHFFFAOYSA-N 341.375 2.485 30 50 EEEA C[C@]1(NS(=O)(=O)Cc2cc(C#N)ccc2F)CCO[C@H]1C1CC1 329614142 CXLHCSVVZOKVQZ-HOTGVXAUSA-N 338.404 2.074 30 50 EEEA COc1nccc(N[C@H]2COCC[C@@H]2OCc2ccccn2)c1C#N 1565506198 UAKWSYZWPLEJNH-IRXDYDNUSA-N 340.383 2.143 30 50 EEEA C/N=C(/NC[C@@H]1CCCN(C)C1)N[C@@H]1CCCN(c2ccccc2)C1 86909810 MZFYEAOBIAXZSS-ZWKOTPCHSA-N 343.519 2.162 30 50 EEEA C=CCS(=O)(=O)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 15075061 HZUAUPMTOJCDRW-GOSISDBHSA-N 349.500 2.131 30 50 EEEA CCO[C@@H]1C[C@H](N(C)/C(O)=N/[C@H]2CCc3c[nH]nc3C2)C12CCC2 330057425 XLMIRDVVWJUGDW-CWRNSKLLSA-N 332.448 2.461 30 50 EEEA N#Cc1ccc(CN(C2CC2)[C@H]2CCN(C3CCOCC3)C2=O)cc1 364188288 LMEYXCUCDYEHCJ-IBGZPJMESA-N 339.439 2.303 30 50 EEEA O/C(=N/CCc1csc2ccccc12)N1CCN2CCOC[C@H]2C1 328587467 WVEGZDDBNDJDTN-OAHLLOKOSA-N 345.468 2.374 30 50 EEEA C[C@H](C#N)CN(C)S(=O)(=O)N1CCSC2(CCCCC2)C1 253397226 VEXFTDCLMIQYLC-CYBMUJFWSA-N 331.507 2.074 30 50 EEEA Cc1cc(N2C[C@H](/C(O)=N/[C@@H]3CCC(O)=NC3=O)CC2=O)ccc1F 329309560 FMWKPDHNNDGKTM-ZWNOBZJWSA-N 347.346 2.089 30 50 EEEA Cc1cc(N2CCC(/N=C(/O)c3cn4ccnc4s3)CC2)n[nH]1 329963120 PQZTVVFPPHQOEW-UHFFFAOYSA-N 330.417 2.401 30 50 EEEA CCn1c(O)nnc1[C@@H]1C[C@H](OC)CN1c1c(F)cc(C#N)cc1F 1775958857 IKYUIFUBMVCBRN-GWCFXTLKSA-N 349.341 2.120 30 50 EEEA CN(C)[C@@H]1CCCCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C1 1506429694 WBAPBMYKTDCFRO-GOSISDBHSA-N 328.456 2.365 30 50 EEEA N#C[C@H](NC(=O)CN1CCOCC1)c1cccc(Cl)c1Cl 137000713 YYEHPUUSOCEWPQ-LBPRGKRZSA-N 328.199 2.006 30 50 EEEA CC1(C)OB(c2cc([N+](=O)[O-])c(N)cc2C(F)(F)F)OC1(C)C 170004873 UBAPMWBXGWQTOL-UHFFFAOYSA-N 332.087 2.495 30 50 EEEA OC[C@H]1CN(C(O)=Nc2cnc3c(c2)CCCC3)CCC1(F)F 329623684 NUWOLHOQHWFCHS-GFCCVEGCSA-N 325.359 2.455 30 50 EEEA C#CCOc1ccc(Br)cc1/C=N/NC(=S)NCC 43190610 KZCMZNPGOAQJSU-CXUHLZMHSA-N 340.246 2.279 30 50 EEEA N#Cc1ccc(N2CCN(c3cc([C@@H]4CCOC4)ncn3)CC2)cc1 426726904 PEIHMJYPOWPKOX-MRXNPFEDSA-N 335.411 2.179 30 50 EEEA Cc1nnc([C@@]23COC[C@@H]2CN(c2nc(C)c(C#N)cc2Cl)C3)o1 685941422 WYGIZYVZIFFJRF-LRDDRELGSA-N 345.790 2.011 30 50 EEEA Cn1ccnc1SCCNC(=O)c1ccc(C#CC(C)(C)O)cc1 952966546 IEJYCAGYHDIYKW-UHFFFAOYSA-N 343.452 2.065 30 50 EEEA C=C(C)C(=O)n1c(C)c(Br)c(=O)n(C(C)(C)C)c1=O 240073 WPOXFGISYOWKNP-UHFFFAOYSA-N 329.194 2.052 30 50 EEEA Cc1ccc(C#N)c(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n1 67695484 DBQQYSYHKOMDFG-JKSUJKDBSA-N 337.379 2.345 30 50 EEEA Cn1ccnc1[C@@H](NC(=O)Cc1ccc(C#N)cc1)C1CCOCC1 286881879 OJYXNBIXEMCKBW-SFHVURJKSA-N 338.411 2.118 30 50 EEEA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)CCc2ccc(C#N)cc2)n1 331740416 VUUMKJDQLGHBSB-PXAZEXFGSA-N 340.383 2.171 30 50 EEEA Cc1ccc(C#N)c(N2C[C@@H]3COc4ccccc4C[C@]3(CO)C2)n1 248101331 OACQEQJYOWNJJX-YLJYHZDGSA-N 335.407 2.312 30 50 EEEA C#CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccccc2)C1 248166460 OMYKQUJUNOTAIN-IEBWSBKVSA-N 325.456 2.117 30 50 EEEA Cc1nonc1[C@H]1CCCN1C(=O)c1cccc(C#CC(C)(C)O)c1 65382662 PVATXPYJGSAXHS-MRXNPFEDSA-N 339.395 2.478 30 50 EEEA CCO[C@@H]1C[C@H](/N=C(/O)C(C)(C)N2CCOCC2)C12CCOCC2 328586391 KXUKYFKFAANZKM-LSDHHAIUSA-N 340.464 2.028 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2cc(C)nc(C3CC3)n2)C1 328612581 PGCIUIBCXSSAID-QGZVFWFLSA-N 342.403 2.436 30 50 EEEA Cc1noc([C@@H](N/C(O)=N/CCc2ccco2)C2CCOCC2)n1 328636393 VLEQOMZEPJFIKQ-AWEZNQCLSA-N 334.376 2.185 30 50 EEEA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)c1ccc(C#N)cn1 328647141 TUCDLRGZCQZKIS-KBPBESRZSA-N 331.420 2.459 30 50 EEEA N#C[C@@H](CCc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 433343711 OCLBJJADEBMUBC-OAHLLOKOSA-N 332.367 2.373 30 50 EEEA C=CCOc1ccccc1NC(=O)N1CCN(CCOCC)CC1 96152578 NXFKPCNQECQEHU-UHFFFAOYSA-N 333.432 2.437 30 50 EEEA CO[C@H]1CC[C@@H]1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 2325804341 HBSBCOILHALYFV-QAPCUYQASA-N 327.428 2.458 30 50 EEEA CC1(C)Cc2c(sc(NC(=O)C(=O)N3CCCC3)c2C#N)CO1 6669924 YCPSZXHHJBYMMB-UHFFFAOYSA-N 333.413 2.032 30 50 EEEA C=CCNc1ccccc1C(=O)NCc1noc([C@H]2CCCO2)n1 65371496 DJZBJLHWKLQMGR-CQSZACIVSA-N 328.372 2.449 30 50 EEEA CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1cccc(C#N)c1 230252480 OARLPGDRBKALTH-MSOLQXFVSA-N 327.428 2.160 30 50 EEEA C#CC[C@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccn1 155962301 GIBCABVFHVVLNW-QAPCUYQASA-N 349.390 2.133 30 50 EEEA Cc1c(Cl)cnc(N2CCN([C@@H]3CCCN(C)C3)CC2)c1C#N 371692663 LLHQJDOJKUZZPH-CQSZACIVSA-N 333.867 2.131 30 50 EEEA CN(C)c1cc(C#N)cc(C(=O)N2CC[C@@H]3[C@@H](CCCN3C)C2)c1 293386780 NYKRVCZCESJSTP-MAUKXSAKSA-N 326.444 2.181 30 50 EEEA CCn1cc(CN2C[C@@H](NC(C)=O)[C@H](c3ccc(C)o3)C2)cc1C#N 91818710 RUJSUQQPBYWRMM-QZTJIDSGSA-N 340.427 2.385 30 50 EEEA C=CCN(C(=O)c1sccc1C1CC1)[C@@H]1CCS(=O)(=O)C1 683352833 YZCYBPJGNNWCPX-GFCCVEGCSA-N 325.455 2.441 30 50 EEEA C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 168972805 LSNMWEDSBKMRCC-IINYFYTJSA-N 327.837 2.102 30 50 EEEA CC1(C)CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)[C@H]1C#N 278078527 XPHCBDQQLICESL-MSOLQXFVSA-N 341.455 2.428 30 50 EEEA Cc1ccc(OCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)c(C)c1 4723500 HCRHRPISKSVIPS-UHFFFAOYSA-N 343.339 2.454 30 50 EEEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1csc(C)n1)CCN2C 107419792 UKLRORGXFUPCAP-GOSISDBHSA-N 348.516 2.136 30 50 EEEA CC1(C)OB(c2cc(OC(F)(F)F)c([N+](=O)[O-])cc2N)OC1(C)C 170003497 RHFXTZMTXPPIKA-UHFFFAOYSA-N 348.086 2.375 30 50 EEEA C[C@H]1CN(C(O)=Nc2cn(Cc3ccccc3)nn2)CC(C)(C)O1 330031996 UJUCQPPZQYGGIP-ZDUSSCGKSA-N 329.404 2.371 30 50 EEEA CNC(=O)C1(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 356978678 FDSXDFXTQFHKGW-UHFFFAOYSA-N 336.351 2.210 30 50 EEEA N#Cc1ccc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)cn1 361854608 LCJQNODBFOZPDW-UHFFFAOYSA-N 335.342 2.251 30 50 EEEA Cc1ccc([C@@H]2CN(C(=O)c3ccc(C#N)nc3)C[C@H]2N(C)C)cc1 95517031 ABWAHQMQBNWGPM-RBUKOAKNSA-N 334.423 2.432 30 50 EEEA C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)n1ccnc1 1875261460 MBECNCPWNFKAPG-ZDUSSCGKSA-N 343.818 2.318 30 50 EEEA N#Cc1ccc(CN2CCC(NCC3(C(N)=O)CCCC3)CC2)cc1 271916201 YYDGZLIGPWKLPB-UHFFFAOYSA-N 340.471 2.158 30 50 EEEA CC(C)c1ccc(C#N)c(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)n1 1704302709 BQKLBKJBSMWMIP-IEBWSBKVSA-N 328.460 2.360 30 50 EEEA C=CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1 5050106 UMHKOLJFDRTONM-UHFFFAOYSA-N 344.440 2.082 30 50 EEEA COCCC(=O)N1CCC(/N=C(/O)N(C)[C@@H](C)c2ccccn2)CC1 331126649 RLIHZSCCPFHHPQ-AWEZNQCLSA-N 348.447 2.016 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCCc3cnn(CCOC)c32)N=N1 2325892476 OOLLCDDVHTXXIH-HNNXBMFYSA-N 343.431 2.379 30 50 EEEA CN1C[C@@H]2CC[C@H](CC1=O)N2Cc1ccc(C#CC(C)(C)O)s1 67934683 NYCOUPLOTKOVLC-KGLIPLIRSA-N 332.469 2.066 30 50 EEEA C#CCN1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccccc2)C1 230196878 OMYKQUJUNOTAIN-MJGOQNOKSA-N 325.456 2.117 30 50 EEEA N#CCC(=O)NCc1ccc(I)c(Cl)c1 337681555 FCPJCZZEPVMFJF-UHFFFAOYSA-N 334.544 2.474 30 50 EEEA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2ccc(C#N)c(C)n2)C3)o1 952886831 SZURXMOJWDAOSO-KSSFIOAISA-N 337.383 2.147 30 50 EEEA CN(C)CCn1ccc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)n1 928697208 HBCOYAMPOHSJTQ-UHFFFAOYSA-N 339.443 2.067 30 50 EEEA CC(C)c1cc(N(C)CC#CCN2C(=O)c3ccccc3C2=O)n[nH]1 2325758285 JXMVQQVHJAEJIT-UHFFFAOYSA-N 336.395 2.269 30 50 EEEA 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N#Cc1ccc(NC(=O)CCN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 229623567 PLASZCDYZGUREL-DZGCQCFKSA-N 341.333 2.274 30 50 EEEA O/C(CCn1cncn1)=N/C[C@@H]1C[C@H](F)CN1Cc1cccs1 328625492 DFCCJPJWAULDFR-STQMWFEESA-N 337.424 2.299 30 50 EEEA N#C[C@@H]1CCC[C@@H]1OC(=O)[C@H](c1ccccc1F)N1CCOCC1 253425711 VYCDARJUGCOCCI-JQFCIGGWSA-N 332.375 2.434 30 50 EEEA N#Cc1cccc(CN[C@@H]2CCCN(c3ccccc3C(N)=O)C2)c1 363089779 MUZMNPHBALCBBF-QGZVFWFLSA-N 334.423 2.416 30 50 EEEA N#Cc1ncccc1N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 290943253 BXWIHIXTABRHDU-GFCCVEGCSA-N 348.453 2.280 30 50 EEEA COCCN1C[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)CC1=O 299780938 BHKWILSKNCMCNF-QGZVFWFLSA-N 341.455 2.039 30 50 EEEA Cc1cc(C)c(C#N)c(N2CCN(Cc3nc(C)c(C)o3)CC2)n1 110535832 FOSSDFQYQAOMBU-UHFFFAOYSA-N 325.416 2.497 30 50 EEEA C=CCN1CC[C@H](Nc2cc(C[S@](C)=O)ccc2Cl)C1=O 252498711 RJCIZRCMLJSLPI-ZSEKCTLFSA-N 326.849 2.417 30 50 EEEA CNS(=O)(=O)c1cccc2c1CCN(CC#Cc1ccccc1)C2 284835311 QQGDXZOQPRBOQL-UHFFFAOYSA-N 340.448 2.005 30 50 EEEA Cc1nc(CN2CCCN(C(=O)c3cc(C#N)ccn3)CC2)cs1 253404547 LZUYIOZZIHPVHO-UHFFFAOYSA-N 341.440 2.066 30 50 EEEA N#Cc1c(Cl)cccc1S(=O)(=O)N1CCO[C@H]2CCC[C@H]21 362966408 FAMFQXSSDNZARV-OLZOCXBDSA-N 326.805 2.154 30 50 EEEA Cn1cc(CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1C#N 82138465 NONWSCAIYDZFRA-UHFFFAOYSA-N 328.803 2.399 30 50 EEEA CN(C)CCCn1ccnc1[C@H]1CCCN(c2cccc(C#N)n2)C1 95528527 XUSIKXOKCYQJKQ-INIZCTEOSA-N 338.459 2.485 30 50 EEEA COCc1noc(CN2CCC(Oc3cccc(C#N)c3)CC2)n1 182230853 HLWQMHHWNNYALS-UHFFFAOYSA-N 328.372 2.131 30 50 EEEA Cc1c(C(=O)N[C@@H]2CCC[C@@H]2C#N)sc2nc3n(c(=O)c12)CCC3 170651923 XZXRGUUQEHRJEH-GHMZBOCLSA-N 342.424 2.135 30 50 EEEA N#Cc1cc(C(=O)NCCc2nc(-c3ccccn3)cs2)ccn1 193193199 QLWXBZNREJXOTN-UHFFFAOYSA-N 335.392 2.444 30 50 EEEA C=CCC(=O)N1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 12306109 UDPVNLXOIMFUFQ-SFHVURJKSA-N 343.471 2.384 30 50 EEEA C#CCCC1(CCNC(=O)CCNC(=O)c2ccc(F)cc2F)N=N1 2325891007 LQWBTJMZUJZVCO-UHFFFAOYSA-N 348.353 2.167 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)N=N1 2325891658 UDYFGXVNBLYLEJ-KRWDZBQOSA-N 340.427 2.351 30 50 EEEA COc1ccc(C/C(N)=N/OC(=O)c2cccc([N+](=O)[O-])c2)cc1 4898707 CFCACPFQQNBFKU-UHFFFAOYSA-N 329.312 2.275 30 50 EEEA O=C(c1ccco1)N1CCC[C@H](NCc2ccc(C#CCO)s2)C1 952975972 KRJYBHLDKBQZSX-AWEZNQCLSA-N 344.436 2.079 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 16606771 LPGQXNYRZOXPBP-KBPBESRZSA-N 336.457 2.269 30 50 EEEA C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OC)c1OC 4113570 HUMIAESKSKEUHI-AWEZNQCLSA-N 332.356 2.061 30 50 EEEA N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 134812510 PUWPLBGSEPCPPL-QGZVFWFLSA-N 334.379 2.210 30 50 EEEA Cc1nc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)ccc1C#N 348259704 ADVVSMSYZWGVRL-DOTOQJQBSA-N 325.343 2.349 30 50 EEEA Cc1ccc(S(=O)(=O)C[C@H](O)COc2ccc(C#N)cc2)c(C)c1 1399253 ZUYPBZSZGYKHOD-MRXNPFEDSA-N 345.420 2.389 30 50 EEEA COCCn1cc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)cn1 371799649 RPWDBCDBNZGVAB-GOSISDBHSA-N 339.443 2.160 30 50 EEEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(C#CCO)cc1 71738796 NKWOFJBDTUBJJE-UHFFFAOYSA-N 343.390 2.255 30 50 EEEA CCCCN1CCn2nc(CNC(=O)c3cccc(C#N)c3)cc2C1 299768232 JAHSBYBNNKKAMC-UHFFFAOYSA-N 337.427 2.300 30 50 EEEA CC1(C)[C@H](CC(=O)NC2CCN(c3ccc(C#N)cc3)CC2)C[C@H]1O 1875292327 DOLZOKCSUBNFQK-MAUKXSAKSA-N 341.455 2.440 30 50 EEEA C[C@H]1Cc2cc(-c3ccc(CN=C4NC[C@@H](CO)N4)cc3)ccc2O1 1875315370 RBIAWDHKCHKJJU-UGSOOPFHSA-N 337.423 2.087 30 50 EEEA N#Cc1ccc(OC(=O)c2ccnc(-n3cncn3)c2)cc1Cl 188835589 OOZUSVOMLKPYOJ-UHFFFAOYSA-N 325.715 2.407 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCCN(C3CCOCC3)C2)N=N1 2325891761 GSGMQPPWKUMYIG-HNNXBMFYSA-N 332.448 2.102 30 50 EEEA CC1(C)OB(c2cc(CC(=O)O)c([N+](=O)[O-])cc2Cl)OC1(C)C 170003780 PHPHKLQQIVHIOF-UHFFFAOYSA-N 341.556 2.175 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2cc(C#N)cs2)CC(=O)N1C 328617449 CUFQTRALXPJMAX-RHSMWYFYSA-N 343.456 2.032 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(c3ncccc3F)CC2)N=N1 952881843 QIDBQYPLQHMHKG-UHFFFAOYSA-N 329.379 2.225 30 50 EEEA Cc1c([C@H](C)N2C(=O)N[C@@H](C3CC3)C2=O)cnn1-c1ccc(C#N)cc1 170614000 BIKVMMKPSRCCCG-GTNSWQLSSA-N 349.394 2.444 30 50 EEEA N#Cc1ccc(OCC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)cc1 261952353 WMGJTAWMLLUYSO-KBMXLJTQSA-N 328.368 2.181 30 50 EEEA C=C(C)COc1ccccc1C(=O)NCCc1cc(=O)[nH]c(C)n1 55309728 IQGBDTKAARVXNZ-UHFFFAOYSA-N 327.384 2.006 30 50 EEEA C=C(C)COc1cccc(CN2CCC[C@H](C(=O)NCCCO)C2)c1 55404489 SYHAAYQFKPRAHW-SFHVURJKSA-N 346.471 2.352 30 50 EEEA CS(=O)(=O)O[C@@H]1C[C@@H]2CC[C@@H]3C[C@H](O[C@@H]4CCCCO4)[C@H]1[C@@H]23 247526682 NKITVIAMISOQED-YNLUJRCYSA-N 330.446 2.309 30 50 EEEA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(N2CCCCC2)o1 245226558 CCHOAHYPJWVDGD-UQPDMNEYSA-N 339.395 2.411 30 50 EEEA COC1=C[C@@H]2[C@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)CC1=O 5510156 INYYVPJSBIVGPH-VPZZIHKRSA-N 329.396 2.018 30 50 EEEA biogenic,in-vitro CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1 381134 QEXTVQZMDFSGFG-HIFRSBDPSA-N 346.339 2.058 30 50 EEEA N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(F)c(F)c2)nc1N 21424327 FQWOCVOUVIODPE-UHFFFAOYSA-N 345.334 2.416 30 50 EEEA CCn1cnc2cc(C(=O)OC)cc(B3OC(C)(C)C(C)(C)O3)c21 170008467 MYHDRARPGNBXNQ-UHFFFAOYSA-N 330.193 2.142 30 50 EEEA COc1ccc(CN[C@H]2CCCN(c3cnn(C)c3)C2)cc1C#N 174518419 YWDKKYJKVVDFID-INIZCTEOSA-N 325.416 2.059 30 50 EEEA C=CC[C@]1(CO)CCCN(S(=O)(=O)c2cc(C)ccc2OC)C1 91820338 XUHNARIYQYKQAU-KRWDZBQOSA-N 339.457 2.343 30 50 EEEA C[C@H](/C(O)=N/CC1CCCCC1)N1CCO[C@H](c2nncn2C)C1 328646192 SMSGUYXGJVTNIH-HIFRSBDPSA-N 335.452 2.114 30 50 EEEA N#C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)CCN1Cc1ccccc1 229686852 FVCNCTTTWICQEY-QZTJIDSGSA-N 327.428 2.182 30 50 EEEA N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(N2CCCC2)nn1 155118277 IOFQDFNMZAHXSQ-CQSZACIVSA-N 335.367 2.038 30 50 EEEA CCn1ccnc(N2CCC(/N=C(/O)c3csnc3C)CC2)c1=O 328656737 ZQHKGQXVAZWIPD-UHFFFAOYSA-N 347.444 2.002 30 50 EEEA COc1cc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc(OC)c1OC 1430787 NSIQVASPKPPKFK-LLVKDONJSA-N 331.368 2.323 30 50 EEEA C[C@@H](Cc1ccc(O)c(O)c1)/N=C(/O)C1(N2CCOCC2)CCC1 328589010 XDKHCXNIZNNBOY-ZDUSSCGKSA-N 334.416 2.240 30 50 EEEA C[C@@H]1CC(O)=N[C@H](C(=O)N2CSC[C@@H]2/C(O)=N/CC2CC2)C1 328778093 DIPIQGOAVJVOGJ-ZMLRMANQSA-N 325.434 2.009 30 50 EEEA CN(Cc1ncccn1)[C@H]1CCN(c2ncc(C#N)cc2Cl)C1 275748714 QCMPXGHIRJJHBT-ZDUSSCGKSA-N 328.807 2.107 30 50 EEEA CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@H]1c1cccnc1 5091688 URQRCYXRHPIACU-NSHDSACASA-N 328.397 2.245 30 50 EEEA CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C#N)o3)c2C#N)C1 1646019594 RENGRKSSIZQSKX-UHFFFAOYSA-N 340.364 2.241 30 50 EEEA CCN1C(=O)/C(=C\c2ccc(Cl)nc2)SC1=Nn1cnnc1 252428359 ZQXUZSJKVIQLMP-BOEBPHRNSA-N 334.792 2.082 30 50 EEEA CC[C@@H](CC#N)NC(=O)c1conc1C1CN(C(=O)OC(C)(C)C)C1 1776006064 MCSNMFFWTMQCLH-LBPRGKRZSA-N 348.403 2.431 30 50 EEEA C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H]([C@@H](C)O)C1 170604020 PLBMBTYZDNFWGL-HFAKWTLXSA-N 342.848 2.382 30 50 EEEA COc1ccc(CC(=O)O/N=C(\N)c2cccc(C)c2)cc1OC 5012925 LMKZXPVXUOWBAM-UHFFFAOYSA-N 328.368 2.418 30 50 EEEA C=C1CC[C@H]2[C@@H](C=C(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@H]3[C@H]1O)C2(C)C 1772820044 SDBITTRHSROXCY-FRGGAXHXSA-N 334.456 2.233 30 50 EEEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccco1 19883651 PIQNLLJHGGAXIW-OAHLLOKOSA-N 344.367 2.403 30 50 EEEA COc1ccnc(N2CCN(c3cc(Cl)ccc3C#N)CC2)n1 265547956 QABFKEHYXMRYMZ-UHFFFAOYSA-N 329.791 2.337 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc([N+](=O)[O-])c1 381168 AGBBFQVUQLAPOB-UKRRQHHQSA-N 346.339 2.058 30 50 EEEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(N3CCCCC3)o1)[C@H]1C=C[C@H]2C1 100562485 CCHOAHYPJWVDGD-RGSOINJTSA-N 339.395 2.411 30 50 EEEA Cn1cnnc1[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CCO1 328638199 PBLFSYPHJJWPTH-MRXNPFEDSA-N 325.416 2.190 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccc(Cl)c(C#N)n2)C1 328612510 OWGGEBDVESTRPR-OAHLLOKOSA-N 346.778 2.380 30 50 EEEA C=CCn1c(CNC)nnc1SCc1noc(-c2ccco2)n1 426504408 CMHMSDCWDUAKRS-UHFFFAOYSA-N 332.389 2.119 30 50 EEEA COC(=O)c1cccc(S(=O)(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1 170594578 YXPFYUQUHNKCJK-WBMJQRKESA-N 336.413 2.224 30 50 EEEA CC[C@@H](C)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 265116207 DEIJTTOQACDZSU-WBVHZDCISA-N 335.473 2.072 30 50 EEEA C[C@@H](/C(O)=N/CCNc1ncnc2ccc([N+](=O)[O-])cc12)C1CC1 328593353 AERGCBMJRTZUAY-SNVBAGLBSA-N 329.360 2.953 30 50 EEEA COCc1ccccc1/C(O)=N/[C@H]1CCCN(c2nccnc2O)C1 328625306 CYUFDXMXKZUTMA-AWEZNQCLSA-N 342.399 2.302 30 50 EEEA COc1ccc([C@@H](Nc2ccnc(OC)c2C#N)[C@H]2C[C@H](O)C2)cn1 222599940 NYCWUHALWNVEGV-IIYDPXPESA-N 340.383 2.290 30 50 EEEA CC(=O)N1CCCN(C(=O)c2ccc(-c3ccc(C#N)nc3)cc2)CC1 426383130 LNJDXHZZAXLTJK-UHFFFAOYSA-N 348.406 2.315 30 50 EEEA N#Cc1ccccc1CSCCNC(=O)N1CCN2CCC[C@@H]2C1 171898821 VXOHDAKTTHKNGV-QGZVFWFLSA-N 344.484 2.281 30 50 EEEA COCCCN(C)C(=O)N1CCCN(c2ccccc2C#N)CC1 190523902 DQJQLEYUVGJLBM-UHFFFAOYSA-N 330.432 2.159 30 50 EEEA CCCCNC(=O)C[C@@H]1S/C(=N/N=C(\C)c2ccccc2)NC1=O 5503704 MWEXHRISBBZZRP-PVGUKEHMSA-N 346.456 2.305 30 50 EEEA N#CC1CN(C(=O)c2cc(Br)cnc2Br)C1 820516483 XQBKJHZRWNOBNM-UHFFFAOYSA-N 344.994 2.202 30 50 EEEA C#C[C@]1(O)CCC[C@@H](NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 2325782398 WALZTKOFSVXIBG-YCPHGPKFSA-N 342.222 2.450 30 50 EEEA C/C(Cn1nnc([N+](=O)[O-])n1)=N\c1sc2c(c1C#N)CCCC2 12362706 HCTOCKJIYGRUDP-OVCLIPMQSA-N 331.361 2.186 30 50 EEEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)N(C)C)nc2c1=O 72430800 YDMAGBHUHUDUNJ-UHFFFAOYSA-N 340.383 2.261 30 50 EEEA Cc1cccc(C(=O)OCCc2c(C)nc3c(C#N)cnn3c2O)c1 253498050 IJHXWMSWFZYXTD-UHFFFAOYSA-N 336.351 2.323 30 50 EEEA Cc1cc(N2CCCO[C@H](C)C2)c(C#N)c(N2CCCO[C@@H](C)C2)n1 408518659 SPEUQSVHXWALBG-CVEARBPZSA-N 344.459 2.492 30 50 EEEA C[C@](O)(CN1CCN([C@@H](C#N)c2ccccc2)CC1)C(F)(F)F 281894909 OXLCJQNVTGYUON-GJZGRUSLSA-N 327.350 2.182 30 50 EEEA Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](CN2CCOCC2)C1 120234008 JHWFQTXHSUAASQ-INIZCTEOSA-N 328.416 2.053 30 50 EEEA N#Cc1ccc([C@H](N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C(N)=O)cc1 252584513 ATSXDNZOCRSAJB-YYIAUSFCSA-N 325.412 2.022 30 50 EEEA Cc1cc(C/C(O)=N/C[C@@H]2C[C@H](F)CN2Cc2nccs2)n[nH]1 328649822 VEQGXPCBCYUHSO-AAEUAGOBSA-N 337.424 2.286 30 50 EEEA NC1=C(c2nc3ccccc3s2)C(=O)CN1CC1CCOCC1 218225639 XRUGREMCLLNWDA-UHFFFAOYSA-N 329.425 2.235 30 50 EEEA COC(=O)c1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2)c1 71746780 ZYIDWQQMFOFAIA-GXTWGEPZSA-N 334.379 2.338 30 50 EEEA CCN(CC)CCC[C@H](C)NC(=O)N1CCCn2nc(C#N)cc2C1 426648233 ZZYCCVSPBKRSMW-HNNXBMFYSA-N 346.479 2.181 30 50 EEEA N#Cc1c(NCc2cccnc2N)nc2c(c1C#N)CCCCCC2 408524161 YPPYOYZMURPYHC-UHFFFAOYSA-N 332.411 3.073 30 50 EEEA C=CCN(Cc1cccc(OC)c1)C(=O)C[C@H]1C[C@H](C)NC(=S)N1 210414552 WDEUKPLRHFYDMM-DZGCQCFKSA-N 347.484 2.225 30 50 EEEA Cn1cc(C#N)cc1-c1nc(C2CCOCC2)nn1[C@H]1CCOC1 1772818114 MHWAEBAAWLFTDW-AWEZNQCLSA-N 327.388 2.011 30 50 EEEA C=CCc1c(C)nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c1=O 9096440 LSCCUSAQDBXVBZ-UHFFFAOYSA-N 340.427 2.142 30 50 EEEA CN1CCN2CCN(Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]2C1 216402910 JHWNJQLEYYEWJO-KRWDZBQOSA-N 336.439 2.250 30 50 EEEA Cc1cc(C)c(C#N)c(N2CCC[C@@](O)(c3cn(C(C)C)nn3)C2)n1 284495521 KAODVCYRLWFTFT-SFHVURJKSA-N 340.431 2.231 30 50 EEEA C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@@H]1n1ccnc1 287842086 LXMGPAGYNWCTAO-ABAIWWIYSA-N 326.360 2.333 30 50 EEEA Cc1ccccc1CN1CC[C@@H](CNC(=O)c2cc(C#N)cn2C)C1 299798102 VHVAAMLFRASDAF-INIZCTEOSA-N 336.439 2.457 30 50 EEEA CC#CC(=O)N[C@H](C)c1ccc(Br)cc1OCCO 1875365475 BFFSYIPFEDTEKC-SNVBAGLBSA-N 326.190 2.021 30 50 EEEA C=CCNC(=O)CNC(=O)Nc1ccc(Br)c(C)c1F 194219685 NPPPTLRRIISELL-UHFFFAOYSA-N 344.184 2.320 30 50 EEEA O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccc(Cl)cc1 1795820 SHUIEGDCKIKBEQ-UHFFFAOYSA-N 337.740 2.257 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/[C@H](C)Cn1cccn1 328611919 NDFCXXFJBKWSKK-WPGHFRTFSA-N 331.420 2.356 30 50 EEEA C=C(C)COc1cccc(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1 282654361 GEGWQBPAUBMGJY-OAHLLOKOSA-N 338.429 2.292 30 50 EEEA COCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 404946050 CNYMJYUPPPUVSF-UHFFFAOYSA-N 325.601 2.224 30 50 EEEA C#CCCC1(CCC(=O)N(C)Cc2cccc(-c3nn[nH]n3)c2)N=N1 2325893142 HFMJRYRQDFMRCM-UHFFFAOYSA-N 337.387 2.181 30 50 EEEA C=CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 8316842 YOPCGJWPZJAOBL-UHFFFAOYSA-N 336.457 2.096 30 50 EEEA C=CCOc1ccc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)cc1OCC 55385261 VZHQFGUHQSRYTR-YJBOKZPZSA-N 349.427 2.260 30 50 EEEA N#CC1(NC(=O)CN2CC[C@@](O)(c3ccc(F)cc3)C2)CCCCC1 374857323 NPCBEAYUSMXTAK-IBGZPJMESA-N 345.418 2.062 30 50 EEEA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 188547873 UNCJRINOFPWWDR-KBPBESRZSA-N 331.391 2.161 30 50 EEEA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)NCc1ccc(C#N)c(F)c1 1857529390 HYZBLZMCNIRFRX-MNOVXSKESA-N 342.374 2.383 30 50 EEEA C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@H](C)[C@H](O)[C@H]3[C@@H]1O)C2(C)C 822218745 SDBITTRHSROXCY-ZMEFBDMZSA-N 334.456 2.233 30 50 EEEA biogenic CN(C)c1cc(N/N=C/c2cc(Cl)ccc2O)nc(N(C)C)n1 4671846 BZCDOXBJOBXBDX-RQZCQDPDSA-N 334.811 2.414 30 50 EEEA CC1(C)OB(c2cc([N+](=O)[O-])c(N)c(C(F)(F)F)c2)OC1(C)C 170004929 HPVXVXTUZWVTON-UHFFFAOYSA-N 332.087 2.495 30 50 EEEA CC[C@H]1CN(C(=O)c2cccc(C#CC(C)(C)O)c2)CC[C@@]1(C)O 67803334 VTRKAKQAYZWQTC-FXAWDEMLSA-N 329.440 2.432 30 50 EEEA O=C1CN(Cc2cc(C#CCO)cs2)CCN1C1CCCCC1 828644544 BTXZUUMJAGPVHG-UHFFFAOYSA-N 332.469 2.069 30 50 EEEA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1 275572196 IXVRGPASNKOOCT-CQSZACIVSA-N 328.416 2.211 30 50 EEEA O/C(=N/CC[C@H]1COc2ccccc2O1)N1CC2(CCOCC2)C1 330212330 JYCWUFROHVVJCF-AWEZNQCLSA-N 332.400 2.243 30 50 EEEA C#C[C@@H](NC(=O)c1cc(C(N)=O)ccc1F)[C@H]1CCc2ccccc21 2325864059 FSBSCSHQQBOEDV-MAUKXSAKSA-N 336.366 2.386 30 50 EEEA C#CCCC1(CCC(=O)N2CCc3ccc(C(=O)O)nc3C2)N=N1 2325900732 HSCWDLLECMGPSL-UHFFFAOYSA-N 326.356 2.020 30 50 EEEA N#CCCn1ccc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)n1 120151795 IBGKVPTZDQHWAO-OAHLLOKOSA-N 330.436 2.136 30 50 EEEA CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 105209535 QHABDZVHFXVBPH-WUALUTDNSA-N 335.407 2.284 30 50 EEEA N#Cc1ccccc1N1CCC[C@@H](NS(=O)(=O)c2ccco2)C1 364607823 PEIOIQJOTCMTEX-CQSZACIVSA-N 331.397 2.099 30 50 EEEA CCOc1ccccc1CN1CCN(c2cc(C#N)ncn2)[C@H](C)C1 242100052 WDXQBSZWXNKMFW-OAHLLOKOSA-N 337.427 2.458 30 50 EEEA N#CC1(C(=O)NCCN2CCC(c3ccccc3)CC2)CCOCC1 299801583 PUTZRVFASQOPAS-UHFFFAOYSA-N 341.455 2.303 30 50 EEEA N#Cc1cc(C(=O)OCc2nc3ncc(Br)cc3[nH]2)c[nH]1 170593106 GKAUIZFQJBNVIM-UHFFFAOYSA-N 346.144 2.277 30 50 EEEA N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1CN1CCOCC1 189066384 DXHSZKMNNUYJQA-ZDUSSCGKSA-N 340.349 2.273 30 50 EEEA COc1cc(/C=N/N=C(N)N)ccc1OC(=O)c1ccccc1Cl 4599106 RIOBJIABFDFODS-AWQFTUOYSA-N 346.774 2.175 30 50 EEEA Cn1cc([C@H](/N=C(/O)c2cc3n(n2)CCCO3)C(F)(F)F)cn1 330184224 QNOCZQRDOMYXEK-NSHDSACASA-N 329.282 2.007 30 50 EEEA C=CCn1cc(CNCC(=O)Nc2cc(C)ccc2OC)c(C)n1 55255360 PKHLSTDQVQROKV-UHFFFAOYSA-N 328.416 2.423 30 50 EEEA C=CCn1nnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 10149005 JAPITFVMZZGMBZ-UHFFFAOYSA-N 328.159 2.183 30 50 EEEA C[C@H](ON=C(N)C1CCOCC1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 252516768 WUFOGLZTDUSSOI-SFDCQRBFSA-N 325.453 2.031 30 50 EEEA CC1(C)OB(c2cccc(Cl)c2CS(C)(=O)=O)OC1(C)C 170017331 HONZKWWGTCIKNN-UHFFFAOYSA-N 330.642 2.184 30 50 EEEA CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cnn(C)c1C 2759360 ADZDUNRLNGCZIL-INIZCTEOSA-N 329.400 2.260 30 50 EEEA COc1ccc(C#N)cc1CN1CCC[C@H](c2nnc3n2CCC3)C1 160044946 KRDNHVRTBQLQIS-HNNXBMFYSA-N 337.427 2.484 30 50 EEEA C=CC[C@]1(CO)CCCN(c2cc(CC)nc(N3CCOCC3)n2)C1 91486943 BHNHGOVSCIBCBQ-IBGZPJMESA-N 346.475 2.031 30 50 EEEA C=CCNC(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 1349918900 DATIXKQFTBAFNR-SFHVURJKSA-N 338.448 2.221 30 50 EEEA C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc(C#N)c1 195574165 SCXULBFIAFLYAI-CABCVRRESA-N 335.473 2.098 30 50 EEEA CCOc1ccc(C(=O)O/N=C(\N)c2ccncc2)cc1OCC 5013459 KBOLQLADCHOKPQ-UHFFFAOYSA-N 329.356 2.356 30 50 EEEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(F)(F)F 394766324 WARLZVRBFQLYFW-UHFFFAOYSA-N 331.099 2.186 30 50 EEEA CCS(=O)(=O)c1ccc2c(c1)NC(=CC(=O)C(C)(C)C)C(=O)O2 2083176117 OQFCZWWXMYULTF-UHFFFAOYSA-N 337.397 2.310 30 50 EEEA Cn1ccc(NCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)n1 225648726 SLRKBTCRIUOZMG-UHFFFAOYSA-N 337.343 2.272 30 50 EEEA C[C@H](O)[C@@H]1C[C@H](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 252516038 PLBMBTYZDNFWGL-ZETOZRRWSA-N 342.848 2.382 30 50 EEEA COc1ncc(NC(=O)Nc2c[nH]nc2-c2nccs2)cc1C#N 1875332035 KPTIDUHMCGIJBG-UHFFFAOYSA-N 341.356 2.452 30 50 EEEA CN=C(NC[C@H](c1ccco1)N1CCCC1)N[C@@H](C)[C@H]1CCCO1 1875390484 LLFGCWIAQKMOAO-ARFHVFGLSA-N 334.464 2.149 30 50 EEEA N#Cc1ccc(O[C@H]2COCC[C@@H]2NC(=O)c2cccc(C#N)c2)cc1 1565530503 BYVLNIUTLXKHHB-OALUTQOASA-N 347.374 2.396 30 50 EEEA Cc1nc(N2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)ccc1C#N 1472900916 SIXSXJPGBBMBKK-CVEARBPZSA-N 346.394 2.359 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N[C@H]2COc3ccccc3C2)o1 1506424798 NFFXIEGPDDXQNV-CQSZACIVSA-N 325.364 2.136 30 50 EEEA Cc1cc(C)n(/N=C\c2c(O)ccc3ccccc23)c(=O)c1C(N)=O 19535084 LQPFHENLTRTCEW-FBHDLOMBSA-N 335.363 2.305 30 50 EEEA N#Cc1nc(NC[C@@H]2CCO[C@@H]2c2nc[nH]n2)ccc1C(F)(F)F 952889804 GTORRQGKOXJMTA-UFBFGSQYSA-N 338.293 2.280 30 50 EEEA C[C@@H]1COCCN1CC/N=C(/O)c1cc(O)ccc1C(F)(F)F 330413746 BXGIDQCASFXKJE-SNVBAGLBSA-N 332.322 2.436 30 50 EEEA CN1[C@H]2CC[C@H]1CN(C(=O)NCCOc1ccc(CC#N)cc1)CC2 252671660 NXIZFXYVLOEJFW-IRXDYDNUSA-N 342.443 2.010 30 50 EEEA C[C@H](c1ccc(C#N)cc1)N1CCO[C@@H](CN(C)c2cccnn2)C1 229913831 VGLSZKACOSCBHE-QAPCUYQASA-N 337.427 2.246 30 50 EEEA Cc1nc(CN2C[C@@H](F)C[C@H]2CNc2cnc(C#N)cn2)cs1 328656225 ZDVGDLMIRTUTPN-FZMZJTMJSA-N 332.408 2.138 30 50 EEEA CC(C)(C)c1cnc(N/C(O)=N/C[C@H]2CCCS2(=O)=O)s1 330078153 NMEQRTUMRWIVJD-SECBINFHSA-N 331.463 2.344 30 50 EEEA COc1ccc(OC)c(S(=O)(=O)N/N=C\c2cccs2)c1 17066767 PFKMYGFLPKLTEA-ZROIWOOFSA-N 326.399 2.078 30 50 EEEA CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)s2)OC1(C)C 169745961 AOJXAKMKFDBHHT-UHFFFAOYSA-N 336.071 2.347 30 50 EEEA in-vitro C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 5509934 VIYONUGTMVDIJB-UHFFFAOYSA-N 330.409 2.428 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1 15349098 NPIHJTIGVYSDNF-UHFFFAOYSA-N 330.409 2.428 30 50 EEEA COc1ccccc1[C@@H]1C(C(C)=O)=C(O)C(=O)N1C[C@@H]1CCCO1 381133 BWYNYTLNIVQSCS-BLLLJJGKSA-N 331.368 2.159 30 50 EEEA C=CCN1C(=S)N(c2ccc(CC)cc2)[C@H]2CS(=O)(=O)C[C@H]21 1064004 FVXIXCWTNABXHN-CABCVRRESA-N 336.482 2.008 30 50 EEEA CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc(F)c1 20100124 VLCFLIXAXFXDGE-INIZCTEOSA-N 334.391 2.452 30 50 EEEA CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1ccc(F)cc1F 282580803 GYQWHWAPOUIROK-YGRLFVJLSA-N 331.388 2.342 30 50 EEEA CCOC(=O)NC(=O)/C(=N\Nc1ccc(C(F)(F)F)cc1)C(C)=O 13144682 UOSHAPLWJROMBT-JAIQZWGSSA-N 345.277 2.335 30 50 EEEA Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)c2cccnc2C#N)s1 276940405 ATSKWFOABARKLQ-JTQLQIEISA-N 336.442 2.408 30 50 EEEA C#CCN(Cc1ccco1)C(=O)c1ccc(N2CCN(C)CC2)cc1 65429050 BJHKYIDZXOVZLL-UHFFFAOYSA-N 337.423 2.307 30 50 EEEA Cc1cc(CN2C[C@@H](F)C[C@H]2CN/C(O)=N/Cc2ccoc2)on1 328656683 ZOLAFOCPOWXSMO-KBPBESRZSA-N 336.367 2.192 30 50 EEEA COc1nccc(N2CC[C@@]3(CCCN(CC4CC4)C3=O)C2)c1C#N 91932230 ZSYLNGGLOJUNJW-IBGZPJMESA-N 340.427 2.191 30 50 EEEA N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 229623551 PLASZCDYZGUREL-UKRRQHHQSA-N 341.333 2.274 30 50 EEEA C=CCOc1ccc(C(=O)N2CCC(=O)NC[C@H]2C)cc1OCC 55402648 OHXBHTROFYUPCD-CYBMUJFWSA-N 332.400 2.001 30 50 EEEA CS[C@H]1CCN(C(=NCc2noc(C(C)(C)C)n2)NC2CC2)C1 1875357119 ZHSGNYAVTXYWQY-LBPRGKRZSA-N 337.493 2.412 30 50 EEEA C=CCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c2ccccc12 681586722 BDRCZGBCRZUFTC-UHFFFAOYSA-N 335.381 2.110 30 50 EEEA N#Cc1cnn2c(O)cc(CN3CCC[C@@H]3c3nccs3)nc12 2325771841 UIWMXXJPXRJOGB-GFCCVEGCSA-N 326.385 2.100 30 50 EEEA COc1ccc2ncccc2c1C(=O)NCCNc1ncccc1C#N 2325854517 HSWHIIDUOCTAEJ-UHFFFAOYSA-N 347.378 2.352 30 50 EEEA COc1ccc(CSc2nc(=O)n3ncc(C#N)c3[nH]2)cc1Cl 2325863663 RNAWCZJGSLFBFM-UHFFFAOYSA-N 347.787 2.244 30 50 EEEA NC(=O)CCN1CCN(Cc2ccccc2C#Cc2ccccc2)CC1 215020122 WHZKVMQDLVGBIZ-UHFFFAOYSA-N 347.462 2.079 30 50 EEEA Cc1ccnc2nc(SCc3cc(O)n4ncc(C#N)c4n3)[nH]c12 242317025 YWQVQYVJCZSRCE-UHFFFAOYSA-N 337.368 2.179 30 50 EEEA Cc1cc(NC(=O)C2CCN(C(=O)C#Cc3ccccc3)CC2)no1 175062295 KPHKIJRBHQGFHD-UHFFFAOYSA-N 337.379 2.212 30 50 EEEA C=CCOc1cccc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c1 1529120827 NDNZYYMGTBPJCU-VQIMIIECSA-N 327.428 2.318 30 50 EEEA CO[C@H]1CN(Cc2cc(C#CCO)cs2)C[C@H]1Cc1cc(C)no1 1529173650 ODVVPFSUSPSOMJ-QAPCUYQASA-N 346.452 2.078 30 50 EEEA CN1C[C@@H]2C[C@@H](c3ccc(C#CC(C)(C)O)s3)N3CCC[C@@]23C1=O 12711659 WSJBSFIQUGTXOE-RFUYNDQBSA-N 344.480 2.238 30 50 EEEA N#Cc1cccc(S(=O)(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 253395869 HSUTZCXIUUKFKQ-WBVHZDCISA-N 346.383 2.194 30 50 EEEA C#C[C@]1(O)CCC[C@H](NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 2325782397 WALZTKOFSVXIBG-LZWOXQAQSA-N 342.222 2.450 30 50 EEEA O=C(C[C@@H]1S/C(=N/N=C/c2ccco2)NC1=O)Nc1ccccc1 4755790 FLIYDQCLZJPTMV-VZWMTCDZSA-N 342.380 2.230 30 50 EEEA Cc1noc([C@@H](C)OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)n1 225467533 WUKAQQRNFRJICF-SECBINFHSA-N 345.359 2.067 30 50 EEEA CC[C@@H](C#N)NC(=O)c1ccc(I)c(O)c1 230891394 SCSNCKRNIRERMP-QMMMGPOBSA-N 330.125 2.029 30 50 EEEA N#Cc1ccc(OCC(=O)Nc2ccc(-c3cnccn3)cn2)cc1 366484674 VXDCNRIDZCXTNU-UHFFFAOYSA-N 331.335 2.428 30 50 EEEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)Cc2ccccc2)cc1 223909355 UHEYMMAIGDDVNY-RTBURBONSA-N 336.391 2.453 30 50 EEEA N#Cc1cc2c(nc1O)C[C@H]1CC[C@H]2N1Cc1ccc(C(N)=O)cc1 1875356512 OZLWGGDKOZOEMQ-RHSMWYFYSA-N 334.379 2.020 30 50 EEEA C[C@H](CNC(=O)Cc1ccc(Cl)cc1)N(C)c1ccc(C#N)nn1 1113607292 UNJHYZHJEINDJN-GFCCVEGCSA-N 343.818 2.185 30 50 EEEA C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-] 4005739 JLQPQZNXOIIXPL-STQMWFEESA-N 329.356 2.418 30 50 EEEA N#Cc1c(NC(=O)C(=O)NCc2ccco2)sc2c1CCCC2 4858014 QZWHAEGRGRQVSL-UHFFFAOYSA-N 329.381 2.346 30 50 EEEA C=CCn1c(COc2ccccc2Cl)nnc1SCC(N)=O 6699214 UGUCXJLRSWDOLY-UHFFFAOYSA-N 338.820 2.274 30 50 EEEA C#C[C@H](NC(=O)NCc1ccnc(OC2CCOCC2)c1)C(C)C 225591894 XIZSWWPWIKRUGC-INIZCTEOSA-N 331.416 2.096 30 50 EEEA CCCCN(CC#Cc1ccccc1)C(=O)C[C@H]1CN(C)CCN1C 65397704 QTWZLGMPEHNETF-FQEVSTJZSA-N 341.499 2.303 30 50 EEEA CCc1nc(C/C(O)=N/C2CC(N(CC)CC(=O)O)C2)cs1 328635095 NECBWEUFNVKQJN-UHFFFAOYSA-N 325.434 2.142 30 50 EEEA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@H](C)c1ccc(C#N)cc1 239619500 BFBJVSASPVLDPU-FRFSOERESA-N 335.473 2.269 30 50 EEEA C=CCCC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 497097401 SQAVYKPBJQZRQR-LSDHHAIUSA-N 348.447 2.205 30 50 EEEA N#Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c1 220481444 FQALPJMYWLYYPA-HZPDHXFCSA-N 343.408 2.119 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc3nnc(C(F)F)n3c2)N=N1 1875369012 VOVDBTVJUGCPLJ-UHFFFAOYSA-N 332.314 2.362 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 18222878 GTLOOFUDHJMZNT-UHFFFAOYSA-N 349.434 2.166 30 50 EEEA Cn1cc([C@@H]2CN(c3c(C#N)cnc4ccccc34)C[C@H]2CO)cn1 225518051 LEYNAFSWDAUDRF-RDJZCZTQSA-N 333.395 2.052 30 50 EEEA CN1CCC[C@]2(CO)CCN(c3nc4c(cc3C#N)CCCC4)C[C@@H]12 1704344102 OSFOGOQSDYZTOV-UYAOXDASSA-N 340.471 2.115 30 50 EEEA N#Cc1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Br 113871 MOYZXGVVWUKFPQ-UHFFFAOYSA-N 336.105 2.204 30 50 EEEA C=CCc1ccccc1OCC(=O)OCCNC(=O)c1cccnc1 2679834 GQPGPPZHXPSBKA-UHFFFAOYSA-N 340.379 2.162 30 50 EEEA N#Cc1ccccc1CN1CC[C@H](CNC(=O)c2cccc(N)c2)C1 67677235 ZIHPCTDPPHJBAK-OAHLLOKOSA-N 334.423 2.392 30 50 EEEA C=CCOc1cc(Cl)c(CN2CCS(=O)(=O)CC2)cc1OC 820491543 BJXLWLKWZNZCFM-UHFFFAOYSA-N 345.848 2.144 30 50 EEEA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(F)c(C#N)c1 858008742 XCKCVJPVNOVHBM-XJKSGUPXSA-N 342.374 2.329 30 50 EEEA C[C@@H]1CN(C[C@@H](C#N)CCC#N)CCN1C[C@@H](O)c1ccccc1 229513589 GGJVYLMRTBWNMT-ZHALLVOQSA-N 326.444 2.170 30 50 EEEA Cc1cccc(C)c1OC1CN(C(=O)c2cc(C#N)c(O)nc2C)C1 95382498 YXLFGQALYIGIEE-UHFFFAOYSA-N 337.379 2.488 30 50 EEEA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CC1=C(c2ccccc2)CCC1=O 827801463 HIKBMKVUJFONIK-NVXWUHKLSA-N 338.407 2.130 30 50 EEEA N#Cc1cnc(N2CCC(C[C@H]3OCC[C@H]3C(N)=O)CC2)c(Cl)c1 952890595 WFJUDOQJRXCITK-UKRRQHHQSA-N 348.834 2.104 30 50 EEEA N#Cc1c(N2CCN(C(=O)Cc3ccccc3)CC2)nc2ccccn12 272875768 FFHKUCDDASAUHF-UHFFFAOYSA-N 345.406 2.097 30 50 EEEA CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1cc(C)ccc1F 252484761 GGWYWHIGUWNNBL-ZDUSSCGKSA-N 327.425 2.292 30 50 EEEA C#C[C@H](NC(=O)c1cc(C(N)=O)ccc1F)[C@@H]1CCc2ccccc21 2325864060 FSBSCSHQQBOEDV-QAPCUYQASA-N 336.366 2.386 30 50 EEEA C=C(C)COc1ccc(C(=O)NC[C@H](CC)N2CCOCC2)cc1 55224700 ABXKUEIUPHISRR-KRWDZBQOSA-N 332.444 2.482 30 50 EEEA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1/N=C/c1ccc(N2CCCCC2)o1 100562482 CCHOAHYPJWVDGD-RKBSQXCFSA-N 339.395 2.411 30 50 EEEA C=CCn1c(-c2cc(C)oc2C)cn2cc(C(=O)NCC)nc2c1=O 72429304 YNKTZYJHKYGDJK-UHFFFAOYSA-N 340.383 2.309 30 50 EEEA O=S1(=O)CC[C@]2(C[C@@H](/N=C(/O)c3cc4ccccc4[nH]3)CCO2)C1 329216778 PBEFCIQZTJSDMU-GUYCJALGSA-N 348.424 2.209 30 50 EEEA CN1C[C@H](NC(=O)c2ccc(-c3ccccc3C#N)cc2)C[C@H]1CO 426401723 KHNIPBWJJRZZPE-MSOLQXFVSA-N 335.407 2.020 30 50 EEEA C=CC[C@@]1(CO)CCCN(C(=O)c2cccc(N3CCNC3=O)c2)C1 91934606 WSYYAEZDZBCNSW-LJQANCHMSA-N 343.427 2.007 30 50 EEEA N#Cc1cccc(C#N)c1N1CCN(C(=O)Cc2ccccc2)CC1 302859585 UGBKSNHPRHVJEB-UHFFFAOYSA-N 330.391 2.321 30 50 EEEA COC(=O)c1ccc(/C=N/n2c(S)nnc2-c2ccccn2)cc1 5981641 QRKASXSSTQDTOA-VCHYOVAHSA-N 339.380 2.298 30 50 EEEA C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N(CCC#N)Cc1cccnc1 408474020 ZFFXZIOFQKQAIA-SJLPKXTDSA-N 349.438 2.491 30 50 EEEA COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c(OC)c1 100052903 QQSLNVHVHGNFIY-UHKXSARDSA-N 340.379 2.235 30 50 EEEA COC(=O)[C@H]1C(=O)/C(=C\Nc2cccc([N+](=O)[O-])c2)C(=O)CC1(C)C 101144937 QTQAXYDCNKGTPR-FWLQQBITSA-N 346.339 2.248 30 50 EEEA C=CCOc1cccc(C(=O)NCC[C@@H](C)N2CCN(C)CC2)c1 952961356 IVUPZGQWUMZOIU-MRXNPFEDSA-N 331.460 2.007 30 50 EEEA CCN1CCN([C@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)CC1 187002134 PLHPERYANFYORW-SFHVURJKSA-N 332.879 2.423 30 50 EEEA C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](C2(C)OCCO2)C1 408515524 CNFPLWVCLBLFJP-JYJNAYRXSA-N 338.448 2.152 30 50 EEEA O=C(O)CC/C(=N/Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O 12955965 CWMOLBNXRMPNTF-IDUWFGFVSA-N 339.657 2.471 30 50 EEEA CC#CC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 834711930 WGOWPFCGMZKWNC-MRXNPFEDSA-N 328.412 2.488 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccccc1C 6819984 BKEPXBJNGPWEGT-FFSVYQOJSA-N 327.380 2.251 30 50 EEEA N#Cc1cccnc1N1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1 55053685 DIAJCVSSLNTPCJ-RBUKOAKNSA-N 339.487 2.340 30 50 EEEA C=CCc1cc(CNCCN2CCC[C@H](C(N)=O)C2)ccc1OCC 55413477 LUGYQIOTJBSRFE-SFHVURJKSA-N 345.487 2.101 30 50 EEEA CCc1ccc([C@H](COC)NS(=O)(=O)c2ccc(C#N)s2)o1 435420972 FNZHKUGXGFGLGX-LBPRGKRZSA-N 340.426 2.441 30 50 EEEA O/C(=N/[C@@H]1CCCn2ncnc21)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(F)(F)F 329819968 GILGLPBTTGBZJZ-ILAIQSSSSA-N 330.310 2.425 30 50 EEEA COc1nccc(N2CCN(c3cc(C)cc(C)c3)C(=O)C2)c1C#N 77487325 DNWRXPBAJSMKNS-UHFFFAOYSA-N 336.395 2.432 30 50 EEEA CCOC(=O)[C@@]1(CC#N)CN(Cc2ccccc2)CCC12OCCO2 382634731 LUNGEURZPRWQAL-GOSISDBHSA-N 344.411 2.099 30 50 EEEA N#Cc1ccn2ncc(C(=O)N3CCOC[C@H]3Cc3ccccc3)c2c1 1875293357 NGQKEUXUDWBLGJ-QGZVFWFLSA-N 346.390 2.290 30 50 EEEA C[C@H]1C[C@@H](CN=c2[nH]c3ccccc3cc2C#N)CN1C(=O)C(F)F 1875337571 YJXQEQDGUHPKHY-RYUDHWBXSA-N 344.365 2.442 30 50 EEEA N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 303280 ZLRRDKIDYWBDRB-UHFFFAOYSA-N 345.399 2.208 30 50 EEEA Cn1cc([C@H](/N=C(/O)c2cn(CC3(C)COC3)nn2)C(C)(C)C)cn1 329779882 MHCAEPPMKKZXMW-AWEZNQCLSA-N 346.435 2.140 30 50 EEEA C[C@H](C/N=C(/O)N1CC[C@H](S(C)(=O)=O)C1)c1ccc(F)cc1F 330412635 MBXPPCCMZDLSFR-PWSUYJOCSA-N 346.399 2.101 30 50 EEEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])o1 19810878 WWTVPUGEDOBCAH-HNNXBMFYSA-N 332.312 2.329 30 50 EEEA C=CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3 223286 GNJMDAAFIISTPC-UHFFFAOYSA-N 335.454 2.100 30 50 EEEA C#CCCC1(CCNC(=O)Cc2ccc(N3CCOC3=O)cc2)N=N1 2325891674 VEHICMISGNUYCU-UHFFFAOYSA-N 340.383 2.268 30 50 EEEA O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 4738074 ZZLUSLRYGSCJKP-BPKVKKHESA-N 344.352 2.352 30 50 EEEA C#C[C@@H](NC(=O)NCCCCn1cc(Br)cn1)C(C)C 225595296 PAKCJNBPCKJXJF-CYBMUJFWSA-N 341.253 2.383 30 50 EEEA CCOC(=O)c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cc2c1O 170004801 AOIWOEIWDALZCV-UHFFFAOYSA-N 343.188 2.416 30 50 EEEA CC(C)N1CCN(CCCN2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 253398321 JUVWKWQPYTZJFB-UXHICEINSA-N 348.535 2.330 30 50 EEEA Cn1cc(N/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)cn1 328617927 DFGOGWUTWHJOGO-VIFPVBQESA-N 342.325 2.224 30 50 EEEA CCC(=O)N1CCCC[C@@H]1/C(O)=N/[C@@H]1CN(c2ccccc2)C1=O 329273672 ATHOUVXCTVNUMC-HUUCEWRRSA-N 329.400 2.149 30 50 EEEA CCCSc1ncc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)cn1 71551657 PNCZFJOCFKHOEY-LLVKDONJSA-N 340.456 2.311 30 50 EEEA COCCCOc1cc(B2OC(C)(C)C(C)(C)O2)cnc1Cl 242750688 ZWCHGHWISWXHKR-UHFFFAOYSA-N 327.617 2.450 30 50 EEEA C[C@H]1CN(CC(=O)N2CCC(C#N)(c3ccccc3)CC2)C[C@@H](C)O1 299772347 ZCTUJPWNBGCZGC-CALCHBBNSA-N 341.455 2.180 30 50 EEEA Cc1cc(C#N)ccc1-c1ccc(C(=O)N2CC[C@H](O)[C@@H](O)C2)cc1 584904194 LLNUCSGXKOYJJH-OALUTQOASA-N 336.391 2.101 30 50 EEEA O=[N+]([O-])c1cccc(-c2ccc(/C=N/[C@H]3CCS(=O)(=O)C3)o2)c1 4750686 FASKTSYODKKWEU-RGZVIEDOSA-N 334.353 2.461 30 50 EEEA C=CCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCNCC2)C1=O 67558925 ZCLFOLWSVSDGOP-IBGZPJMESA-N 345.418 2.235 30 50 EEEA N#Cc1ccccc1-c1ccc(CN2CC[C@@]3(C2)NC(=O)NC3=O)cc1 371039877 ITPDLARCSRABQG-FQEVSTJZSA-N 346.390 2.009 30 50 EEEA N#CC1(c2ccccc2)CCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 426479054 USIKNEJUVRZGRG-HNNXBMFYSA-N 349.438 2.624 30 50 EEEA C=CCN(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cc1cccc(C#N)c1 299296173 BYCMQEPIALBRGQ-HZPDHXFCSA-N 327.428 2.182 30 50 EEEA COC(=O)c1ccc(B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cc1OC 953034754 IVUBGMVYNUHFBD-ICSUNMLXSA-N 344.216 2.417 30 50 EEEA CCn1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3C#N)C2)cn1 67946319 DVZLMZVQTMLSGI-OAHLLOKOSA-N 337.427 2.027 30 50 EEEA CC#CCOC(=O)c1c(C)nc2sc3c(c2c1N)CC[C@@H](O)C3 3644236 JDTZAGLGBRRCJT-SNVBAGLBSA-N 330.409 2.217 30 50 EEEA biogenic,in-vitro COc1nccc(N2CC[C@H](Cc3cccc(C(N)=O)c3)C2)c1C#N 72166395 QIKABIFOELMMJK-CQSZACIVSA-N 336.395 2.130 30 50 EEEA COC[C@@](C)(C#N)NC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 291415087 FZSZPVPEGRCICF-OAHLLOKOSA-N 336.298 2.333 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](C)n1cc(C)cn1)CC2 91933166 VFNZDBOSKPXIPK-INIZCTEOSA-N 344.459 2.170 30 50 EEEA Cc1cc(C)c(N2CC[C@H](NC(=O)CSCC#N)C2=O)c(C)c1 189918434 JQHGHZBGTZJVQV-AWEZNQCLSA-N 331.441 2.090 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccccc1C 16606945 BKEPXBJNGPWEGT-GHJWDPDVSA-N 327.380 2.251 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)Cc2ccc(OC)c(OC)c2)cc1 4191714 DEAURHCATALVPR-UHFFFAOYSA-N 344.367 2.119 30 50 EEEA biogenic C#CCCC1(CCC(=O)Nc2cccc(CN3CCOCC3)n2)N=N1 2325885229 IFGFXUXRQBMTTO-UHFFFAOYSA-N 341.415 2.208 30 50 EEEA C=CCNc1ccccc1C(=O)N[C@@H](C(=O)O)c1c(C)n[nH]c1C 67692895 QPTCNEPJQRCWBR-OAHLLOKOSA-N 328.372 2.180 30 50 EEEA CCn1nncc1/C(O)=N/[C@@H](C)C1CCN(CC(F)(F)F)CC1 329181996 NQQIDISETVDJIK-JTQLQIEISA-N 333.358 2.265 30 50 EEEA N#Cc1ccc([C@@H](O)CN2CCCN(c3cncc(F)c3)CC2)cc1 241170981 KDGOVHZNUHPEQH-IBGZPJMESA-N 340.402 2.338 30 50 EEEA C#CCCC1(CCNC(=O)c2n[nH]c(-c3ccccc3OC)n2)N=N1 1875382173 SZFCEIMNOKDNTG-UHFFFAOYSA-N 338.371 2.176 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2CCN(c3ccc(C)cc3)C2=O)N=N1 1875380874 CQJYOJMZSZNLOE-MRXNPFEDSA-N 338.411 2.430 30 50 EEEA C=C1CCN(C(=O)CNS(=O)(=O)/C=C/c2ccccc2)C2(CC2)C1 1875387355 DBMUEEHNJDWICC-XYOKQWHBSA-N 346.452 2.288 30 50 EEEA Cc1cc(=NC[C@@H]2CCO[C@@H]2c2nc(C3CC3)no2)c(C#N)c[nH]1 888078626 DIJXNKYLJJTMOQ-WFASDCNBSA-N 325.372 2.134 30 50 EEEA CC1(C)OB(c2ccc(NCCCN3CCCC3)nc2)OC1(C)C 242718404 XMDWFMKQHFTTPR-UHFFFAOYSA-N 331.269 2.279 30 50 EEEA in-vitro C#CCNC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 362467309 UKFLBLHZYDEMMV-LBPRGKRZSA-N 341.333 2.344 30 50 EEEA CCc1nc(C)sc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 216477650 BSISGZZJHNPVOB-UHFFFAOYSA-N 341.440 2.243 30 50 EEEA C=CCN1C[C@H](C(=O)N(CC)CCOc2ccc(C)cc2)CC1=O 952961132 NGPAEXQWABHQRO-MRXNPFEDSA-N 330.428 2.257 30 50 EEEA Cn1cc([C@H]2CSCCN2CCOc2cccc(C#N)c2)cn1 191211873 CLBLQJNSVJKULP-QGZVFWFLSA-N 328.441 2.461 30 50 EEEA Cc1cccc(N=C(O)[C@@H]2CCCN(CCN3CCOCC3)C2)n1 328834005 LNZCZIKDJIFLKC-MRXNPFEDSA-N 332.448 2.022 30 50 EEEA C[C@@H](C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1)n1cnc(C#N)n1 2325738248 PGVIYPLCDIPQKR-WPRPVWTQSA-N 334.261 2.001 30 50 EEEA C=CCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1808081 CESQTJPGKLYFRA-KRWDZBQOSA-N 334.375 2.196 30 50 EEEA Cn1nccc1[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 248033733 LYJMHOOIWCBDMV-APWZRJJASA-N 349.438 2.277 30 50 EEEA COc1ccc(C(C)(C)CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1 283093616 WPZITVLEHOXQSR-CYBMUJFWSA-N 339.461 2.041 30 50 EEEA COC(=O)CN(CC#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 157336918 AIJRVLFMTISQMV-UHFFFAOYSA-N 334.681 2.498 30 50 EEEA Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cnc2ccc(C#N)cn12 378367214 CKJXREVOPIMSIP-MRXNPFEDSA-N 336.399 2.119 30 50 EEEA C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H](c2ccsc2)O1 241644560 PRSXOTKGHMZOOP-SMDDNHRTSA-N 349.437 2.165 30 50 EEEA CCOC[C@H](NC(=O)C1CCN(c2oc(C)nc2C#N)CC1)C(C)C 194321337 RLNOOWVDCVKMSK-INIZCTEOSA-N 348.447 2.248 30 50 EEEA OC(=Nc1c[nH]nc1-c1nccs1)N1CCC[C@H](n2cncn2)C1 328598715 NWHAEPZXSYMCPC-JTQLQIEISA-N 344.404 2.007 30 50 EEEA COc1ccc(C)cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 6701341 WQKFUVSZZMFAAM-UHFFFAOYSA-N 325.368 2.293 30 50 EEEA C=CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 248181171 DPJIXIHIDJXSFS-NUEKZKHPSA-N 349.452 2.000 30 50 EEEA COCCN(CCOC)C(=O)c1cccc(-c2cccnc2C#N)c1 299797775 QHLAQEUWGOZXSY-UHFFFAOYSA-N 339.395 2.355 30 50 EEEA Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc(C#N)cc1 952976595 GRKWIFFAYFZOMK-UHFFFAOYSA-N 344.440 2.262 30 50 EEEA Cc1c(Cl)cnc(N2CCC(C)(C)S(=O)(=O)CC2)c1C#N 278400292 GOEDLIQEGNJFGI-UHFFFAOYSA-N 327.837 2.319 30 50 EEEA N#Cc1ccc(N2CCC[C@](O)(c3cnn[nH]3)C2)c(C(F)(F)F)c1 793980655 PWUTUFCEISUTEU-CQSZACIVSA-N 337.305 2.183 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1CCCN(C(=O)C2CCCCC2)CC1 1772712686 ZANMDSFEOFWWGT-UHFFFAOYSA-N 342.443 2.152 30 50 EEEA Cn1nc(-c2ccccc2)cc1C(=O)N1CCCn2nc(C#N)cc2C1 65376045 PZTFGZMLGGXTHY-UHFFFAOYSA-N 346.394 2.201 30 50 EEEA CN1CCN(C(=O)Cc2cccc(NCc3cccc(C#N)c3)c2)CC1 152433152 DMYIHFRHVMJXPL-UHFFFAOYSA-N 348.450 2.487 30 50 EEEA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2ccc(F)c(C#N)c2)cn1 888095090 OKXRZJRJMPYUBJ-JKSUJKDBSA-N 328.347 2.161 30 50 EEEA C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1nc(Cl)nc2[nH]ccc12 142003314 PBBKAMYFZVSJCI-PWSUYJOCSA-N 346.822 2.198 30 50 EEEA C[C@@H]1CCCN(c2cc(C#N)c(B3OC(C)(C)C(C)(C)O3)cn2)C1 169992808 YZKJBUYQXOFLCF-CYBMUJFWSA-N 327.237 2.489 30 50 EEEA Cc1noc([C@@]23CCC[C@H]2CN(C(=O)c2cc(C#N)[nH]c2C)C3)n1 1857529240 ZCYYJKSSVUAOLZ-YVEFUNNKSA-N 325.372 2.080 30 50 EEEA C=CCOc1ccc(CNc2n[nH]cc2C(=O)N(C)C)cc1OC 928996557 VZKXZMIZEIUVFL-UHFFFAOYSA-N 330.388 2.297 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2CC(=O)N[C@@H](c3ccccc3)C2)N=N1 2325891732 YYBMREFQJQURTG-HZPDHXFCSA-N 338.411 2.336 30 50 EEEA Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 105214765 CQGBJIWEJYYPTB-LHDCNHJXSA-N 339.351 2.434 30 50 EEEA Cc1c([C@H]2[C@H](Nc3ncc(C#N)cc3Cl)CC(=O)N2C)cnn1C 328614642 WMNGTQRRYNFQIB-HIFRSBDPSA-N 344.806 2.033 30 50 EEEA C=CC[C@]1(CO)CCCN(S(=O)(=O)c2ccc(C)cc2OC)C1 91747045 HJKXUANLKUIOHB-KRWDZBQOSA-N 339.457 2.343 30 50 EEEA CCCn1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)c(C)n1 91321688 JYLOPNWWBHXFFN-UHFFFAOYSA-N 337.427 2.436 30 50 EEEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Br 281635535 XVHUACIYWNPUSU-RNCFNFMXSA-N 342.237 2.446 30 50 EEEA N#Cc1cnc2c(Cl)cccc2c1N1CCN2C(=O)OC[C@H]2C1 496792580 QQXIZLGHOWJMKD-LLVKDONJSA-N 328.759 2.401 30 50 EEEA CCc1nn(C)c(CC)c1CN/C(=N/C)N[C@H]1CCN(CC)[C@@H](C)C1 230187317 IHVUJGYYZRBLRL-GJZGRUSLSA-N 348.539 2.083 30 50 EEEA Cc1ccccc1[C@@H](/N=C(/O)N1CCCS(=O)(=O)CC1)C1CC1 329152515 ARZNCZNBVPQYKJ-INIZCTEOSA-N 336.457 2.481 30 50 EEEA N#CC1(CCCN2CCc3ccccc3[C@@H]2C(N)=O)CCOCC1 369056513 RGYFUZPZERKJQK-QGZVFWFLSA-N 327.428 2.172 30 50 EEEA CC[C@@H](NC(=O)c1ccc(C#CC2(O)CCCCC2)cc1)C(=O)O 4694018 BEXOIUBCCXUVFB-MRXNPFEDSA-N 329.396 2.326 30 50 EEEA Cc1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c2[nH]cc(C#N)c12 2325781725 AQXPUSPSDAGEHR-RSPIHXBNSA-N 328.397 2.085 30 50 EEEA C[C@H](/N=C(/O)N1CCOC[C@@H]1[C@@H]1CCCO1)[C@H]1COc2ccccc21 329256158 DNRSNKZGHBOWQI-ZDRJDWQYSA-N 346.427 2.345 30 50 EEEA N#Cc1cnc(NCC2CCN(C[C@H](O)c3ccccc3)CC2)cn1 123934953 ZSWGHBFJYUHXBE-SFHVURJKSA-N 337.427 2.206 30 50 EEEA Cc1ccc(-c2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)on2)cc1 368518195 HRLHVMOITXDQLD-INIZCTEOSA-N 336.395 2.462 30 50 EEEA C[C@H]1CCCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 183502150 XUUUDLJXQUEWGE-LBPRGKRZSA-N 341.864 2.222 30 50 EEEA C=C[C@@](C)(CC)C(=O)N1CCC(c2n[nH]c(C(=O)OCC)n2)CC1 277835742 WLHHANWDBCHGNB-KRWDZBQOSA-N 334.420 2.290 30 50 EEEA C#CCN(Cc1cn(C)nc1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 195560376 PLBHKDHWZKRDKL-QGZVFWFLSA-N 349.500 2.090 30 50 EEEA COC(=O)CCSC1=CC(=O)C(N(C)c2ccccc2)=CC1=O 106888193 STNNUDMVTRARRB-UHFFFAOYSA-N 331.393 2.339 30 50 EEEA Cn1cc(/C(O)=N/Cc2ccc3c(c2)OCO3)c([C@@H]2CCOC2)n1 328629152 OMQZCBRTOGVIIN-GFCCVEGCSA-N 329.356 2.158 30 50 EEEA Cn1ccc(C/C(O)=N/C[C@H]2CCc3nc(C(F)(F)F)cn3C2)n1 328636612 VPHMYBCMQSRYSA-SNVBAGLBSA-N 341.337 2.397 30 50 EEEA N#Cc1nccnc1N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 1057244418 CPNIRDMDCUTMDW-SJORKVTESA-N 347.422 2.191 30 50 EEEA C=C(C)COCCNC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 450138092 XPGUQJNPEYODFP-INIZCTEOSA-N 340.427 2.216 30 50 EEEA N#Cc1ccc(N2CCN(CC3CCCCC3)[C@H](CCO)C2)nc1 72419592 HOZMHWXOUWYMBJ-GOSISDBHSA-N 328.460 2.407 30 50 EEEA Cc1ccc(S(=O)(=O)[C@]23[C@@H]4[C@@H]5[C@H]6C[C@@H]([C@@H]52)[C@@]25O[C@]62[C@H]4C[C@H]53)cc1 257356595 JEIWOWPLNLFESU-GEPQEBNASA-N 326.417 2.191 30 50 EEEA CC[C@H](CC#N)NC(=O)c1nscc1I 864057624 MZEZTLVHOXFXLE-ZCFIWIBFSA-N 335.170 2.170 30 50 EEEA CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1cccc(C#N)c1 252673378 RCMTUUNPBKAPME-ZWKOTPCHSA-N 349.500 2.487 30 50 EEEA CC(=O)/C(=C/Nc1ncccn1)S(=O)(=O)c1ccc(Cl)cc1 13466033 BNBWBMJLLNDWFK-LCYFTJDESA-N 337.788 2.446 30 50 EEEA C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 241657627 PXVZWYFQYAVARV-YESZJQIVSA-N 333.453 2.300 30 50 EEEA CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=Nn1cnnc1 252428155 RHWZNMHOADTXOR-TUWMJTPHSA-N 329.385 2.042 30 50 EEEA CCn1nc2c(c1C(=O)NCc1ccc(C#N)cn1)C[C@H](C)O[C@@H]2C 1875314020 CZWSCNRQUMTSOX-NWDGAFQWSA-N 339.399 2.122 30 50 EEEA C#CCCCS(=O)(=O)N1CC(C)(C)[C@H]1c1nccn1CC1CC1 952892624 FMBVJIXSWQZHHA-OAHLLOKOSA-N 335.473 2.419 30 50 EEEA CC[C@](C)(O)c1cn([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 881338372 FYKSDSLEFSSVST-YJBOKZPZSA-N 339.399 2.135 30 50 EEEA CCOC(=O)c1c2c(n(C)c1C)C=C(Br)C(=O)C2=O 2075155 POKJDSOSOVGBRT-UHFFFAOYSA-N 326.146 2.011 30 50 EEEA COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 381118 KBGAOLYEZDMEMH-ZBFHGGJFSA-N 331.368 2.159 30 50 EEEA C=C(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C 6031422 NZESEVTYUVXOTC-APDQSUQKSA-N 332.396 2.453 30 50 EEEA biogenic,in-vitro C=CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 4833467 YQSIHHREZYUOKC-OAHLLOKOSA-N 332.356 2.061 30 50 EEEA N#Cc1cc2c(=O)n(CCCn3ncc4ccccc43)ccc2nc1O 71278786 OHMFKZIOINJLEI-UHFFFAOYSA-N 345.362 2.414 30 50 EEEA CCOc1ccc(S(=O)(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1 17072520 LOITWWOFRDQXMX-WJDWOHSUSA-N 349.368 2.306 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)N=N1 952879820 BFMDQFIWHKIOQX-ZFWWWQNUSA-N 329.404 2.112 30 50 EEEA CC(C)C(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@H]1N1CCOCC1 19770521 FQFOANNTVMYKIM-QGZVFWFLSA-N 332.356 2.254 30 50 EEEA Cc1cc(C)n(C[C@H](C)NC2CCN(c3ncccc3C#N)CC2)n1 67472830 BNKYWFMMBUXAEY-HNNXBMFYSA-N 338.459 2.414 30 50 EEEA CO[C@@H]1C[C@H](c2nc(C)no2)N(CCOc2ccc(C#N)cc2)C1 328623763 JMFPUXDBMDURME-HZPDHXFCSA-N 328.372 2.091 30 50 EEEA C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(F)c(C#N)c1 375160923 RHODAEDDSKVNPR-CYBMUJFWSA-N 331.391 2.023 30 50 EEEA CCN(CC)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 230550722 PSBFGBIJWUTMQM-UHFFFAOYSA-N 332.253 2.266 30 50 EEEA C=CCc1cc(C(=O)N2C[C@@H]3CCCN3C(=O)[C@H]2C)ccc1OC 1772703686 HXEUABQPLKFPIU-CJNGLKHVSA-N 328.412 2.259 30 50 EEEA Cn1cc(OC2CN(c3ccc(C#N)c(Br)c3)C2)cn1 2325802418 GPBRQPHVYVPSJF-UHFFFAOYSA-N 333.189 2.322 30 50 EEEA CCc1nc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)no1 229296682 GKSVSBWKKBFZNA-GDBMZVCRSA-N 342.399 2.080 30 50 EEEA N#Cc1ncn(CC(=O)NCCc2cccc(Cl)c2Cl)c1C#N 126497824 QUMYKXIKRLPTBX-UHFFFAOYSA-N 348.193 2.292 30 50 EEEA C=CCc1c(C)nc(N)nc1NC[C@H](O)c1ccc(OC)c(OC)c1 95375396 YKICYSYZAARJDZ-AWEZNQCLSA-N 344.415 2.258 30 50 EEEA Cn1ncc2cc(CN3CCN(c4ccccc4C#N)CC3)cnc21 876564935 OHFMOCNYTZNUMO-UHFFFAOYSA-N 332.411 2.162 30 50 EEEA CCn1cnnc1[C@@H]1CN(/C(O)=N/CC2(C3CC3)CCC2)CCO1 328623182 JACBGYYFXMUMFZ-AWEZNQCLSA-N 333.436 2.166 30 50 EEEA N#Cc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 7708619 LONDILBBINQNQD-UHFFFAOYSA-N 341.392 2.486 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](C)C(=O)Nc2cccnc2C)N=N1 2325886087 LINKOZQCCFPDMA-ZDUSSCGKSA-N 327.388 2.189 30 50 EEEA C#Cc1ccc(C[C@H](NC(=O)CCCC2(C)N=N2)C(=O)OC)cc1 2325893451 ACEQGQNSJZDSLW-HNNXBMFYSA-N 327.384 2.221 30 50 EEEA COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 381119 KBGAOLYEZDMEMH-GDBMZVCRSA-N 331.368 2.159 30 50 EEEA O/C(=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1COCCN1CC(F)(F)F 328791412 QVIXWSRZYASZRP-LOWDOPEQSA-N 348.365 2.164 30 50 EEEA C[C@]1(NS(=O)(=O)Cc2cc(C#N)ccc2F)CCO[C@@H]1C1CC1 329614141 CXLHCSVVZOKVQZ-CVEARBPZSA-N 338.404 2.074 30 50 EEEA Cc1cc(N2CCN(Cc3ccccc3C#N)CC2)n2nccc2n1 72424706 KRWPROSEBCIAEH-UHFFFAOYSA-N 332.411 2.232 30 50 EEEA Cc1c(O)cccc1C(=O)N1CCN(c2ccc(C#N)cc2)C(=O)C1 77378122 OLTOSJPFKSAIEF-UHFFFAOYSA-N 335.363 2.061 30 50 EEEA CC(=O)NCc1c[nH]nc1[C@H]1CCN(c2cccc(F)c2C#N)C1 952890335 XUNGNIZFUZQGCA-LBPRGKRZSA-N 327.363 2.050 30 50 EEEA COC(=O)c1ccc(N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc1 177927 XIONMPTXZOQNHA-UHFFFAOYSA-N 348.380 2.496 30 50 EEEA C#CC(C)(C)OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 12381139 GJZJNQIJXPNWSL-QGZVFWFLSA-N 336.863 2.251 30 50 EEEA N#Cc1ccc(N2CCN(c3ncnc(N)c3Cl)CC2)c(F)c1 225477798 NKDHURXVQIIGOJ-UHFFFAOYSA-N 332.770 2.050 30 50 EEEA C#CCCC1(CCNC(=O)C[C@H](N)COCc2ccccc2)N=N1 2325901175 WWYNVEWTSCZMNM-INIZCTEOSA-N 328.416 2.002 30 50 EEEA CCOC(=O)CSc1nsc(SCC(=O)OCC)c1C#N 2190307 UBZJVVBKPRCRAD-UHFFFAOYSA-N 346.455 2.325 30 50 EEEA COc1cc(Br)cc(/C=N/n2c(C)nnc2C)c1O 4739529 FNJMQEUCLYJHGM-MKMNVTDBSA-N 325.166 2.254 30 50 EEEA C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2ccn[nH]2)C1 229219866 DNUBYVQBTSGRIX-HUUCEWRRSA-N 329.448 2.320 30 50 EEEA COC(=O)c1c[nH]nc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 170004695 VPUYTLDLCPSTIY-UHFFFAOYSA-N 328.177 2.163 30 50 EEEA Cc1nn(C)c2cc(N=C(O)N3CCOC[C@H]3[C@@H]3CCCO3)ccc12 329841694 WVWRKAHKCITECV-IRXDYDNUSA-N 344.415 2.307 30 50 EEEA Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2cccc(CC#N)c2)n1 331890972 JZJREJFCPLJZFV-ABAIWWIYSA-N 326.356 2.046 30 50 EEEA C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(C#CC(C)(C)O)o2)C1 952977471 NRADAXCMQHKCBH-CQSZACIVSA-N 330.428 2.101 30 50 EEEA C#C[C@H](NC(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)[C@H]1CCOC1 170609739 UKIANJJRTJKMSY-BBRMVZONSA-N 342.374 2.480 30 50 EEEA CCOC(=O)[C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1O 1908500297 BXVDAXOLIKDWQR-JSGCOSHPSA-N 342.317 2.327 30 50 EEEA COc1ccc(-n2c(C)cc(/C=N/Nc3nnc(C)n3N)c2C)cc1 4649290 CIIFLMIFCQOPBP-VXLYETTFSA-N 339.403 2.162 30 50 EEEA Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3C=C[C@H]4[C@@H](O)[C@H]5C=C[C@@H]2[C@H]5[C@@H]34)cc1 257359133 YOVMTSGKEVCVEO-FISXXABESA-N 344.432 2.294 30 50 EEEA N#Cc1sc(N2CCNC(=O)[C@H]2Cc2ccccc2)nc1Cl 2325724251 NIWYJPVQRKBJLH-LLVKDONJSA-N 332.816 2.216 30 50 EEEA C=CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 4866138 GWPGIRMBTHOMJP-UHFFFAOYSA-N 330.409 2.332 30 50 EEEA CC(=O)N1CCN([C@@H]2CN([C@@H](C)c3ccc(C#N)cc3)C[C@@H]2C)CC1 229306026 MWKRHWKBSWNBNK-TWOQFEAHSA-N 340.471 2.104 30 50 EEEA COc1cc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)ccc1O 1429567 RBOXPDYRAXWZAE-LBPRGKRZSA-N 330.384 2.200 30 50 EEEA C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCc1ccc(C#N)cc1 370091502 KGYCTSGIIXGKPB-INIZCTEOSA-N 341.455 2.203 30 50 EEEA N#Cc1cccc(C(=O)N2CCCO[C@H](CN3CCCCC3)C2)c1 670454877 MEGMVLSGMXXODO-GOSISDBHSA-N 327.428 2.275 30 50 EEEA N#Cc1cc(S(=O)(=O)N[C@@H](CN)C2CCCC2)ccc1Cl 194774099 RHJYQHXSSHAEBL-AWEZNQCLSA-N 327.837 2.007 30 50 EEEA Cc1nscc1/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 328654545 XOCNMAQTHMMYLC-AAEUAGOBSA-N 337.424 2.102 30 50 EEEA CC(C)(C)c1cncc(CSc2nc(=O)n3ncc(C#N)c3[nH]2)c1 2325783496 ASTWUYHBTNLEOE-UHFFFAOYSA-N 340.412 2.274 30 50 EEEA C#CCN(Cc1ccco1)C(=O)[C@H]1CCCC[C@H]1C(=O)NCC=C 55060708 NWCSEIFDWJHGES-SJORKVTESA-N 328.412 2.350 30 50 EEEA CO[C@@]12C[C@@]3(CCC4=C5C(=CC(=O)C(=C53)O1)CCN4C)CC[C@@H]2O 334157052 YAPXMAINSYHBRI-KYNGSXCRSA-N 329.396 2.037 30 50 EEEA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)Nc1ccc(C#N)nc1 299775607 LATHHEVYBGFLGH-CYBMUJFWSA-N 341.415 2.208 30 50 EEEA Cc1cc(C)c(C#N)c(N2CC[C@H](C3CC3)[C@H]2c2nnc(O)n2C)n1 1875400129 RKUYRCSNUORAQN-HIFRSBDPSA-N 338.415 2.382 30 50 EEEA Cn1cc([C@@H]2CSCCN2CC(=O)Nc2sccc2C#N)cn1 191219561 AWTVPMYSEVXZTC-ZDUSSCGKSA-N 347.469 2.082 30 50 EEEA C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccc(CC)s2)CC1 1196437885 IHIUVELLAPYTJV-AWEZNQCLSA-N 349.500 2.149 30 50 EEEA CSc1ncc(I)c(N2CC(C)(C#N)C2)n1 1120855482 MEMRXTIPYOPGDP-UHFFFAOYSA-N 346.197 2.153 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2)cc1 12343814 JHGWLACLZFAEBV-UHFFFAOYSA-N 344.436 2.123 30 50 EEEA CS/C(N)=N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 15660082 BBKCSEXVLIEUBM-UHFFFAOYSA-N 333.438 2.500 30 50 EEEA N#C[C@H](NC(=O)C[C@@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 827030289 JZDGIHWZLGSTCD-RYUDHWBXSA-N 325.290 2.055 30 50 EEEA C[C@H](C(=O)[C@H](C#N)c1ccc(C(F)(F)F)cn1)n1cnc(C#N)n1 2325738245 PGVIYPLCDIPQKR-PSASIEDQSA-N 334.261 2.001 30 50 EEEA COC(=O)CCn1cc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H]3C2)cn1 71756855 PKPZUTLMJYDIAA-MNOVXSKESA-N 337.383 2.327 30 50 EEEA CC(=O)N1CC(=O)N(c2ccccc2C#N)C[C@@H]1Cc1ccccc1 82097700 JHXYWCUAQIODCL-SFHVURJKSA-N 333.391 2.365 30 50 EEEA N#Cc1cccc(N(CCO)Cc2cnn(Cc3ccccc3)c2)n1 195545981 XGIKNBUQVNYZDV-UHFFFAOYSA-N 333.395 2.197 30 50 EEEA CC(=O)CC(=O)/N=C(\Nc1nc(C)cc(C)n1)NC1CCCCC1 18266492 LYUMDQDEDRWPLW-UHFFFAOYSA-N 331.420 2.289 30 50 EEEA COCCn1cc2c(n1)[C@@H](/N=C(/O)c1cn(C(C)(C)C)nn1)CCC2 330034709 BEBQTMPTLFYEPT-ZDUSSCGKSA-N 346.435 2.258 30 50 EEEA COC(=O)CSc1nc(N)c(C#N)c(-c2ccc(O)cc2)c1C#N 20813967 XYKMQJNWTDLWSQ-UHFFFAOYSA-N 340.364 2.045 30 50 EEEA Cn1ccnc1[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)C1CC1 375535552 AITQRGWHYDHUTB-SFHVURJKSA-N 336.443 2.396 30 50 EEEA C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@H]1n1ccnc1 287842099 LXMGPAGYNWCTAO-XHDPSFHLSA-N 326.360 2.333 30 50 EEEA CCc1csc(Cn2cc(-c3cc(C#CCO)cs3)nn2)n1 91933644 HJZBZADFMXAQPF-UHFFFAOYSA-N 330.438 2.418 30 50 EEEA C#CCCC1(CCNC(=O)c2cc(OC)c3c(c2)OCCO3)N=N1 1875368826 RMIAWAMCUXMKJH-UHFFFAOYSA-N 329.356 2.162 30 50 EEEA CC[C@H](CC#N)NC(=O)c1noc(C)c1I 1776005651 HEYNLFVWQFGWDZ-SSDOTTSWSA-N 333.129 2.010 30 50 EEEA C=CCNC(=O)c1ccc(N2CCO[C@@H](Cc3ccccc3)C2)nc1 271830526 DVQWXSFKGSGMBE-SFHVURJKSA-N 337.423 2.445 30 50 EEEA CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(C#N)s1 191551925 HOVRVQWAHKEPBO-UHFFFAOYSA-N 333.438 2.091 30 50 EEEA Cc1cc(N/C(O)=N/C[C@@H]2CCc3nc(C(F)(F)F)cn3C2)no1 328627550 MWKFNMMLOUVBLJ-VIFPVBQESA-N 343.309 2.787 30 50 EEEA COC(=O)c1cn([C@H]2CCCN(c3ccc(C#N)c(Cl)c3)C2)nn1 253430086 WHFQALQDVDUWAV-ZDUSSCGKSA-N 345.790 2.431 30 50 EEEA Cc1occc1-c1nnc(NS(=O)(=O)c2cccc(C#N)c2)o1 153813518 OBUCFSXCRXWJPL-UHFFFAOYSA-N 330.325 2.311 30 50 EEEA O=S(=O)(O[N@@]1CC1(C(F)(F)F)C(F)(F)F)c1ccccc1 1857666654 CKWMYBMYJVUCMK-KRWDZBQOSA-N 335.225 2.486 30 50 EEEA C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 4487980 KIGNLMJXHVGURJ-UHFFFAOYSA-N 336.438 2.489 30 50 EEEA CC(C)(C)OC(=O)N1CC[C@@](C(O)=NOCCO)(C(F)(F)F)C1 328596499 WZLHCSXQNNOZLG-GFCCVEGCSA-N 342.314 2.056 30 50 EEEA COCc1nc([C@H]2CN(c3cc(C)ncc3C#N)C[C@@H]2C2CC2)n[nH]1 952851072 SWMUGZRZGUKDAN-CABCVRRESA-N 338.415 2.156 30 50 EEEA CNc1nc(CN=c2c(C#N)c[nH]c3c(F)c(F)c(F)cc23)cs1 408515563 AOKDOZMWISQIAS-UHFFFAOYSA-N 349.341 3.056 30 50 EEEA COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(O)cc1O 192473113 JXKQJJWCEBQNKJ-UHFFFAOYSA-N 326.352 2.258 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NCCc1cccc(C(=O)O)c1 324969033 ZPEAFPJZVORRDV-UHFFFAOYSA-N 344.392 2.086 30 50 EEEA CCOC(=O)c1nn(-c2ccc(Br)cc2)c(N)c1C#N 38537293 PCKQIJFJPFPOHQ-UHFFFAOYSA-N 335.161 2.265 30 50 EEEA in-vitro CC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccc(F)cc1F 282580797 GYQWHWAPOUIROK-IINYFYTJSA-N 331.388 2.342 30 50 EEEA CC(C)[C@@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ncnn1C 218399011 OUXBZKXBLABWQH-MRXNPFEDSA-N 340.427 2.065 30 50 EEEA COc1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1C#N 284511434 DGYYTKHDTITYGJ-YQVWRLOYSA-N 330.428 2.319 30 50 EEEA C=CCN1CC[C@@]2(CCC1=O)CN(C(=O)CC1CCCC1)CCN2C 91604625 GWTQXGDUTOKAST-FQEVSTJZSA-N 347.503 2.278 30 50 EEEA C/C(=N\NC(=N)S[C@@H]1CC(=O)N(C)C1=O)c1ccc(Cl)cc1 5015763 MSFDZIPEHKGAJU-SXGUVYOMSA-N 338.820 2.079 30 50 EEEA Cc1ncc2c(c1C#N)CCN(c1cc(C(N)=O)c3ccccc3n1)C2 1857681722 JYSGXLOKBADPFL-UHFFFAOYSA-N 343.390 2.472 30 50 EEEA O=C([C@@H]1CCN(/C(O)=N/[C@H](C2CC2)C(F)(F)F)C1)N1CCCC1 329663406 PWIJUDFOVPFNDB-VXGBXAGGSA-N 333.354 2.186 30 50 EEEA N#Cc1c[nH]c2c(C(=O)Nc3cnn(C[C@@H]4CCCN4)c3)cccc12 2325779075 FDSINXNSLVITKR-ZDUSSCGKSA-N 334.383 2.240 30 50 EEEA N#C[C@@]12CCCCC[C@H]1CN(S(=O)(=O)N1CCC(F)(F)CC1)C2 2325782837 JZBCZBCKEJOZKH-UONOGXRCSA-N 347.431 2.368 30 50 EEEA N#Cc1ccc(N2CCN(CC3CCCCC3)[C@@H](CCO)C2)nc1 106945393 HOZMHWXOUWYMBJ-SFHVURJKSA-N 328.460 2.407 30 50 EEEA O/C(=N/Cc1ccn(C2CCCC2)n1)c1cn([C@H]2CCOC2)nn1 330076991 HEVVANYLIHNRKE-AWEZNQCLSA-N 330.392 2.056 30 50 EEEA Cn1ccnc1[C@H]1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 369860018 BAYYDZMQWMQKCS-HNNXBMFYSA-N 346.394 2.107 30 50 EEEA C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 241446915 NPPGQFRUEAHBHX-SRRSOLGSSA-N 333.461 2.352 30 50 EEEA CN(C(=O)CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N)c1nccs1 242196979 XGRDZYDTPADKIE-BBRMVZONSA-N 334.445 2.033 30 50 EEEA CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(-c3ccccc3C#N)cc2)C1 426370255 DIOBWPMGCOHKQU-NRFANRHFSA-N 349.434 2.364 30 50 EEEA C#CCCCCC(=O)Nc1ccccc1C(=O)N1CCC[C@H](O)C1 952877800 VUUNDKYWDGJGLO-HNNXBMFYSA-N 328.412 2.416 30 50 EEEA N#Cc1ccc(C(=O)N[C@H]2[C@H](Cc3ccccc3)[C@@H]3OCC[C@H]23)cn1 1565510503 QQZNSOAOBLOXOU-FCGDIQPGSA-N 333.391 2.329 30 50 EEEA O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(F)cc1)c1ccccc1 5687412 VCKBZGLPVQRPNA-INIZCTEOSA-N 341.338 2.396 30 50 EEEA CN(C)c1ncc2c(n1)[C@]1(CCCN(c3cc(C#N)ccn3)C1)CC2 2356158913 DUMVMLAGCWNUFW-LJQANCHMSA-N 334.427 2.294 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/C[C@@H](O)c1ccco1 328608491 AOVDJOAREAVNDK-ZENOOKHLSA-N 333.388 2.398 30 50 EEEA Cc1ccc(N2CCC[C@@H](/N=C(/O)N(C)Cc3cccnc3)C2)nn1 329656733 GLFVWAMQFZVQQV-MRXNPFEDSA-N 340.431 2.195 30 50 EEEA CC(C)[C@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ncnn1C 218399086 OUXBZKXBLABWQH-INIZCTEOSA-N 340.427 2.065 30 50 EEEA CCN/C(O)=N/S(=O)(=O)c1cnccc1Nc1cccc(C)c1 95908844 ZPXQRKMODMEHCM-UHFFFAOYSA-N 334.401 2.346 30 50 EEEA CN(C)c1nc(O)cc([C@H]2CCN(c3ncc(C#N)cc3Cl)C2)n1 864313385 TWCUEXYEDLLHLI-NSHDSACASA-N 344.806 2.162 30 50 EEEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)Cc2ccc(C#N)cc2)C1 888103051 CKZCVQHQAKSZFD-SJORKVTESA-N 338.411 2.429 30 50 EEEA N#Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H]1CN(c1ncccn1)C2 1565505824 JPBIXJQBQBBDBQ-ZBFHGGJFSA-N 333.395 2.089 30 50 EEEA C=C(C)COC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 170602229 OSHYTJFYCSNZJI-IBGZPJMESA-N 342.395 2.495 30 50 EEEA Cn1nccc1CN1C[C@@H](F)C[C@H]1C/N=C(/O)Nc1ccsc1 328627038 FSDJDFYGUSDUGB-FZMZJTMJSA-N 337.424 2.420 30 50 EEEA C#CCCC1(CCNC(=O)c2ccnc(N3CCO[C@H](C)C3)c2)N=N1 2325891071 OZCOOYVTDBLWIR-CQSZACIVSA-N 341.415 2.002 30 50 EEEA C[C@H]1CCN(C(O)=Nc2cnc3c(c2)CCCC3)CCS1(=O)=O 330258125 RBUYDELAWYJVHP-LBPRGKRZSA-N 337.445 2.015 30 50 EEEA CC(C)[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1Nc1ccc(C#N)cn1 92065741 BPJYAXUPOKBPCE-SJORKVTESA-N 342.443 2.275 30 50 EEEA C[C@@H](c1nnn[nH]1)n1cc(-c2ccccc2C#Cc2ccccc2)nn1 91770265 AGOQJXJHSGSNLM-AWEZNQCLSA-N 341.378 2.467 30 50 EEEA CC(C)C#CC(=O)N1CCC(c2nccc(N3CCCC3)n2)CC1 952892684 IQFGDLIFLYXXCL-UHFFFAOYSA-N 326.444 2.442 30 50 EEEA CO[C@H]1CCOC[C@@H]1NC(=O)CC1=C(c2ccccc2)CCC1=O 1565506686 QOKPHDGSMIRAAD-WMZOPIPTSA-N 329.396 2.113 30 50 EEEA N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCOC3)C2)c(F)c1 109303663 VIIKGRZKQJPOKQ-CABCVRRESA-N 331.391 2.209 30 50 EEEA O=C(O)C[C@@H]1S/C(=N/N=C/c2cccc(C(F)(F)F)c2)NC1=O 5649315 AYKKHBDSONULFU-CKOTXCHGSA-N 345.302 2.102 30 50 EEEA CCN1C(=O)/C(=C/c2ccc(Cl)nc2)S/C1=N\n1cnnc1 5598031 ZQXUZSJKVIQLMP-FWSJCCAESA-N 334.792 2.082 30 50 EEEA N#C[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2F)CCN1C1CC1 371326478 JAHHIIWTDRLDNS-OAHLLOKOSA-N 325.391 2.388 30 50 EEEA N#Cc1ccc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)cn1 374867860 GSWUXIMZDOAMGI-INIZCTEOSA-N 326.787 2.393 30 50 EEEA CC(C)(C[C@@H]1CCCN(c2nc3c(cc2C#N)COCC3)C1)C(N)=O 450636834 OSSYXWAZNPGGGE-ZDUSSCGKSA-N 342.443 2.144 30 50 EEEA CC[C@H](C)[C@@H](C(=O)N(C)CCC#N)N1C(=O)c2ccccc2C1=O 1875257203 SFDWYTHLKKOJBB-WFASDCNBSA-N 327.384 2.069 30 50 EEEA COc1cc(OC)c([C@@H]2NC(=S)NC(C)=C2C(C)=O)cc1OC 4030588 DEIVOVDTTBFALI-HNNXBMFYSA-N 336.413 2.094 30 50 EEEA Cc1cccc2c1OC[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C2 329801096 YOIGAGWRCHYICV-HNNXBMFYSA-N 334.441 2.302 30 50 EEEA C#CCCC1(CCC(=O)N(CCN(C)C)Cc2ccncc2)N=N1 2325892561 RQCFRXNEWBNPQY-UHFFFAOYSA-N 327.432 2.328 30 50 EEEA COC(=O)[C@H]1C(=O)[C@@H](C(=O)/C=C/c2ccccc2)C(=O)CC1(C)C 100319733 FNNWAQYAEWAHFA-DMGQIGSTSA-N 328.364 2.242 30 50 EEEA biogenic CC(C)c1nc(CN(C)[C@@H]2CCN(C(O)=Nc3cccnc3)C2)no1 328588091 SOXSCIXBBHOMNK-CQSZACIVSA-N 344.419 2.340 30 50 EEEA Cc1nc(CN2CCC(CN=c3cc[nH]c(C#N)c3)CC2)oc1C 328847196 XZIWDNSZAKDJHM-UHFFFAOYSA-N 325.416 2.304 30 50 EEEA C[C@H](C/N=C(/O)N1CCO[C@@H](CO)C1)c1ccc(C(F)(F)F)cc1 331278242 GRRMCBBXMDEYCP-BXUZGUMPSA-N 346.349 2.416 30 50 EEEA C/C(=N/NS(=O)(=O)c1ccc(C)cc1C)c1cc(O)cc(O)c1 17068808 JSHRKCCTNADDPN-ATVHPVEESA-N 334.397 2.417 30 50 EEEA O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCSC1 188736681 GPOKEFQQNRNTOG-CQSZACIVSA-N 329.343 2.041 30 50 EEEA COCc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OC 453944 FWMIVGLHBPKFMD-WOJGMQOQSA-N 348.424 2.462 30 50 EEEA CCOc1cc(C(=O)N(CC#N)CC#N)cc(OCC)c1OCC 30215 NTLTXWSXOXRWHM-UHFFFAOYSA-N 331.372 2.372 30 50 EEEA C=CCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(C)(=O)=O 4411968 AWZJGCFMTJXPIC-UHFFFAOYSA-N 331.397 2.286 30 50 EEEA COc1cc([C@@H](C#N)NC(=O)[C@@]2(C)CC2(F)F)cc(OC)c1OC 421504164 ZIKQZQOLQBTABI-MEBBXXQBSA-N 340.326 2.439 30 50 EEEA O/C(=N/C1CC1)[C@H](O)C1CCN(Cc2cnc(Cl)s2)CC1 328633546 MDSZSGRVSYTUHH-GFCCVEGCSA-N 329.853 2.488 30 50 EEEA COc1cccc([C@@H]2C[C@H](O)CN2C(=O)Cc2ccc(C#N)cc2)c1 282479698 LWANETNFTHZVHW-HKUYNNGSSA-N 336.391 2.444 30 50 EEEA N#Cc1ccccc1OCC(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 367716970 CCDARSVBSBIBLY-LJQANCHMSA-N 340.354 2.196 30 50 EEEA COc1nccc(N2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1C#N 77487375 RDVLRRBIFMSQAN-IBGZPJMESA-N 340.427 2.333 30 50 EEEA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(c2ncc(Cl)c(C)c2C#N)C1 284632707 UYSHTCSQRGUIMI-MFKMUULPSA-N 332.795 2.308 30 50 EEEA O=C1C=C/C(=N\S(=O)(=O)c2ccccc2)C=C1Br 207178 VDYNYVPMYSHCMG-NTEUORMPSA-N 326.171 2.234 30 50 EEEA CCOc1ccc(C(=O)O/N=C(\N)c2ccccn2)cc1OCC 18173081 WSXMMZGXGICPTE-UHFFFAOYSA-N 329.356 2.356 30 50 EEEA C#CCCC1(CCC(=O)N[C@H](c2cccnc2)c2cnn(C)c2)N=N1 2325886450 YXGMNSZMMUSDTD-QGZVFWFLSA-N 336.399 2.376 30 50 EEEA Cn1ccnc(N2CCC(/N=C(/O)Cc3cccc(F)c3)CC2)c1=O 328626218 DWIUAWUQSLWGCC-UHFFFAOYSA-N 344.390 2.087 30 50 EEEA COc1cc(/C=C2\CCc3[nH]c(=O)ccc3C2=O)cc2c1OCCO2 178967608 QUFRGZVKMXTLDF-XYOKQWHBSA-N 339.347 2.367 30 50 EEEA N#Cc1ccc([C@@H](O)CN2CCC(OC3CCOCC3)CC2)cc1 305089575 ZLSQBOKBBKDPNA-IBGZPJMESA-N 330.428 2.252 30 50 EEEA CN(C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]2C1(F)F 2325792151 GIHILAWFWWTFKP-ZSAUSMIDSA-N 325.403 2.218 30 50 EEEA C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC 2059287 UBGJANQPUKGGJH-INIZCTEOSA-N 346.383 2.403 30 50 EEEA OC(=Nc1ccccc1CN1CCN=C1O)N[C@@H]1CCO[C@H]1C1CC1 328587433 SBMLXNMXBIFKTF-CVEARBPZSA-N 344.415 2.119 30 50 EEEA Cc1nc(CN(C)[C@@H]2CCCN(c3ncccc3C#N)CC2)no1 328656638 ZMYGHUHBOYYMMK-OAHLLOKOSA-N 326.404 2.136 30 50 EEEA N#Cc1cc(F)ccc1NC(=O)N1C[C@@H](C(=O)O)[C@H](C(F)(F)F)C1 263029367 KILYCLJOWYSNKB-NXEZZACHSA-N 345.252 2.424 30 50 EEEA COC(=O)c1n[nH]cc1-c1cc(-c2ccc(O)cc2C)nc(N)c1C#N 71775700 LUKCLVNAWAONCD-UHFFFAOYSA-N 349.350 2.393 30 50 EEEA N#C[C@@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@H]1c1ccccc1 226075424 SJQSKMOFIMXZTC-GJZGRUSLSA-N 329.363 2.488 30 50 EEEA N#Cc1cccc(-c2cn(CCc3nc4ccccc4c(=O)[nH]3)nn2)c1 91645264 CAMUGNKGLSLQJN-UHFFFAOYSA-N 342.362 2.296 30 50 EEEA O=C1Oc2ccccc2C(=O)/C1=C\NCc1nc(-c2ccco2)no1 828327194 IGEKIEUBITXLJO-DHZHZOJOSA-N 337.291 2.105 30 50 EEEA C[C@@](NC(=O)c1ccc(F)c(C#N)c1)(C(N)=O)c1cccc(Cl)c1 170617689 YVGXFBCPNBALDA-KRWDZBQOSA-N 345.761 2.481 30 50 EEEA C[C@H]1OCCC[C@@H]1C(=O)N1CCCN(c2ccccc2C#N)CC1 188728984 GZEBMYPFIMNRIJ-WBVHZDCISA-N 327.428 2.412 30 50 EEEA COC(=O)[C@@H]1C(=O)/C(=C/Nc2ccc(OC)cc2)C(=O)CC1(C)C 100318946 VBTRBPYMJUEVAN-VOMSXAGXSA-N 331.368 2.348 30 50 EEEA CCn1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3C#N)C2)cn1 67946317 DVZLMZVQTMLSGI-HNNXBMFYSA-N 337.427 2.027 30 50 EEEA C[C@H](CC#N)/N=C(/O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 328592693 XBMNEMYHJRIFHE-BDJLRTHQSA-N 341.383 2.221 30 50 EEEA CCc1cc(C#N)c(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)s1 126771260 REUUJIKMNAHGDA-UHFFFAOYSA-N 348.428 2.231 30 50 EEEA C=CCN1CCC=C(CN2CCC[C@@H](NC(=O)c3ccco3)C2)C1 216504899 YOVHOARPUWWEDJ-QGZVFWFLSA-N 329.444 2.292 30 50 EEEA Cn1cc(C#N)c(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)n1 291461029 JMXCJOURIPJBMV-LLVKDONJSA-N 329.791 2.410 30 50 EEEA CCC#CCN1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 91486022 XWGQMMXTBWKUBD-UHFFFAOYSA-N 338.459 2.451 30 50 EEEA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cc(C#N)n(C)c1 685939811 JVVCYEDNVXMEBQ-INIZCTEOSA-N 340.431 2.049 30 50 EEEA Cn1nc(C(=O)OC(C)(C)C)cc1CN=c1cc(C#N)c(Cl)c[nH]1 1875279788 DMPVIDFGWQJASP-UHFFFAOYSA-N 347.806 2.329 30 50 EEEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1OC 170008625 JWAUBYUEFQVXJK-UHFFFAOYSA-N 326.585 2.434 30 50 EEEA in-vitro C#CCNC(=O)c1ccc(N[C@@H](C)[C@H](O)c2ccc(F)cc2)nc1 189629457 VVEJTBDJJAENED-SJCJKPOMSA-N 327.359 2.118 30 50 EEEA C=CCN(CC=C)[C@H]1CCc2c(c(C(=O)N(C)C)nn2CC=C)C1 14538286 HRBRFNIVXLZKPK-HNNXBMFYSA-N 328.460 2.302 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 253394541 GSDOVTMDGJEABN-CVEARBPZSA-N 346.383 2.194 30 50 EEEA C#CCCC1(CCC(=O)N2CCc3nc(C(=O)O)ccc3C2)N=N1 2325901145 VUVRQFXHKCQCQB-UHFFFAOYSA-N 326.356 2.020 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2OC(C)(C)O[C@H]23)N=N1 2325891669 UVCCIRVFACRJDH-ZSAUSMIDSA-N 331.416 2.244 30 50 EEEA C=CCN(Cc1ccccc1Cl)C(=O)CSc1n[nH]c(N)n1 55153234 ZSBZMIWOYKPJFL-UHFFFAOYSA-N 337.836 2.347 30 50 EEEA Cc1noc([C@H](N/C(O)=N/CCc2ccco2)C2CCOCC2)n1 328636395 VLEQOMZEPJFIKQ-CQSZACIVSA-N 334.376 2.185 30 50 EEEA C#CCOCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 366983401 VTIZWPXHQWDNKL-MSOLQXFVSA-N 346.471 2.199 30 50 EEEA N=C(O)c1cccc(/C(O)=N/C[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)c1 330286908 AXFZBEXJEDQDDX-MSPIVDFFSA-N 338.407 2.383 30 50 EEEA N#C[C@@H]1CN(C(=O)C2(Cc3ccccc3F)CC2)CCN1C1CC1 377025549 BSQSVDORCLHNHN-MRXNPFEDSA-N 327.403 2.347 30 50 EEEA C#CCO[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 294414306 LFMKTDBGOYDQJT-ZDUSSCGKSA-N 330.384 2.050 30 50 EEEA N#Cc1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCC2 239235927 WZLCLOLLPJCYHV-HBJVGIJOSA-N 346.408 2.315 30 50 EEEA CN(c1ccc(OC[C@H]2CO2)cc1)S(=O)(=O)c1ccccc1F 1875378587 HADBJWHWHJPIMA-AWEZNQCLSA-N 337.372 2.428 30 50 EEEA CC1(C)OB(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OC1(C)C 169743800 UOJCDDLTVQJPGH-UHFFFAOYSA-N 330.042 2.285 30 50 EEEA in-vitro O=S1(=O)CC[C@@H](Cc2nnc(SCC#Cc3ccccc3)o2)C1 191737722 HESHXUFNMVNELO-AWEZNQCLSA-N 348.449 2.191 30 50 EEEA CCn1cnnc1[C@H]1CN(/C(O)=N/CC2(C3CC3)CCC2)CCO1 328623383 JACBGYYFXMUMFZ-CQSZACIVSA-N 333.436 2.166 30 50 EEEA C[C@H]1C[C@@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CO1 332298049 PFUBBVRXTMXOOU-DOTOQJQBSA-N 327.428 2.086 30 50 EEEA COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O 331964782 QUFQFCWMWPUZDP-YQVWRLOYSA-N 330.428 2.319 30 50 EEEA C#CCCC1(CCC(=O)NCCc2nc(C(=O)OCC)cs2)N=N1 2325892471 OLRFFKIOKSDZGE-UHFFFAOYSA-N 348.428 2.334 30 50 EEEA C#CCCC1(CCC(=O)N2CC(C(=O)O)=C(c3cccnc3)C2)N=N1 2325901619 NRXIILAPGAUIKF-UHFFFAOYSA-N 338.367 2.118 30 50 EEEA N#CCC(=O)N1CCN(C(O)=Nc2cccc(C(F)(F)F)c2)CC1 328589576 AAAUOIQNBJLAKR-UHFFFAOYSA-N 340.305 2.309 30 50 EEEA N#Cc1c(F)cccc1C(=O)N1CCC(OC[C@H]2CCCO2)CC1 188486350 ZBBNPRUOJUEORL-CQSZACIVSA-N 332.375 2.498 30 50 EEEA CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)/C(O)=N/CCn1cccc1 328620926 HKRKMZADRJHSFH-ROUUACIJSA-N 341.459 2.422 30 50 EEEA C#CCCC1(CCC(=O)NCC2=CS(=O)(=O)c3ccccc32)N=N1 2325885338 AXEOQKSFTJPTRZ-UHFFFAOYSA-N 343.408 2.287 30 50 EEEA CCOC(=O)c1cn2cc(B3OC(C)(C)C(C)(C)O3)c(C)cc2n1 170006782 SLABZMSMTNIRGI-UHFFFAOYSA-N 330.193 2.119 30 50 EEEA C=CCN(Cc1ccccc1Cl)C(=O)C[C@@H]1C(=O)N(C)C(=O)N1C 55414007 BIGBFHSJQCJHFR-CQSZACIVSA-N 349.818 2.137 30 50 EEEA O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1F)c1ccccc1 17124172 VNZWNTIZDARYGH-INIZCTEOSA-N 341.338 2.396 30 50 EEEA Cc1c(C(=O)ON2C(=O)c3ccccc3C2=O)cccc1[N+](=O)[O-] 466763 SYPDUWHUUFUTMB-UHFFFAOYSA-N 326.264 2.271 30 50 EEEA Cc1cc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)no1 229122198 JOGWXASKKPKAHO-QAPCUYQASA-N 327.384 2.432 30 50 EEEA N#Cc1ccc(N[C@@H]2CCCN(c3cccnc3)C2=O)c([N+](=O)[O-])c1 253427373 ZCKQPULIOKJKLR-OAHLLOKOSA-N 337.339 2.469 30 50 EEEA Cc1nccc(N=C(O)N2CCCN(Cc3csc(C)n3)CC2)n1 330101200 DZPHDNFIGBFMKC-UHFFFAOYSA-N 346.460 2.303 30 50 EEEA CC(C)n1cc([C@@]2(O)CCCN(c3ccc(C#N)cc3F)C2)nn1 284689706 XYSVMYGVIDTFEG-QGZVFWFLSA-N 329.379 2.358 30 50 EEEA C[C@@]1(C(=O)O)CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 263504888 VHJGLBYZIKBCBC-OAHLLOKOSA-N 339.298 2.488 30 50 EEEA C=CCn1c(SCc2cnc(C)cn2)nnc1C1CCNCC1 426739907 VMGNOWFCLNZVLC-UHFFFAOYSA-N 330.461 2.322 30 50 EEEA Cc1cc(C)c(C#N)c(N2C[C@H](CO)[C@H](CN3CCCCCC3)C2)n1 91365317 UJQFAHIQYSXMKD-QZTJIDSGSA-N 342.487 2.491 30 50 EEEA C=CCO[C@H]1[C@H](NC(=O)C2CC2)c2ccccc2C12CCNCC2 299779486 OHRRZMSZDHATTF-MSOLQXFVSA-N 326.440 2.460 30 50 EEEA CC[C@H](NC(=O)N1CCC(C#N)(c2ccccc2)CC1)C(=O)N(C)C 584898324 QHGQUMVUUIFZBS-INIZCTEOSA-N 342.443 2.120 30 50 EEEA Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1[nH]nc(C2CC2)c1C#N 277116256 XZMNAPXGEFBDTK-UHFFFAOYSA-N 347.356 2.176 30 50 EEEA COC(=O)[C@H](c1cccc(C#N)c1)N1CC(O)(c2ccc(F)cc2)C1 170599852 IFDCMGMVZITGRV-KRWDZBQOSA-N 340.354 2.115 30 50 EEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCc3ccc(C#N)cc3F)n[nH]c21 1857532685 GIJCIPUOTZNVRN-ZJUUUORDSA-N 328.347 2.373 30 50 EEEA C=C1C(=O)[C@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 257551481 UCDVIBNDYLUWFP-QGOXEJBASA-N 332.440 2.275 30 50 EEEA biogenic CCc1cnc(CN(C(C)=O)[C@H]2CCN(c3ncccc3C#N)C2)o1 375879459 YWKIVFLPBLYKLX-HNNXBMFYSA-N 339.399 2.131 30 50 EEEA N#Cc1ccc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)cc1Cl 119760271 VEWHZHBAPZGVPP-CYBMUJFWSA-N 348.834 2.398 30 50 EEEA CCCn1nc(N(Cc2ccc(C#N)cc2)S(C)(=O)=O)cc1C 2356161842 MKYDVUUUMHPJFK-UHFFFAOYSA-N 332.429 2.439 30 50 EEEA CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[nH]c(=O)c1[C@H]2c1cccs1 4178387 ORPJYTNIUCZOKA-LBPRGKRZSA-N 343.408 2.325 30 50 EEEA N#CCCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21 170624769 MZVRSHZFXWKFGV-UHFFFAOYSA-N 337.335 2.144 30 50 EEEA CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)ccc1O 100175814 NZZIINGTBIMOCT-FBJXDXQOSA-N 340.379 2.322 30 50 EEEA CCc1ncc(N=C(O)N2CCOC[C@H]2c2nnc(C(C)C)o2)cn1 328627715 MZDDAJJOZQOFDA-LBPRGKRZSA-N 346.391 2.164 30 50 EEEA Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284482798 BCFKPVALHVGZGJ-SUMWQHHRSA-N 341.415 2.006 30 50 EEEA COc1nccc(N[C@@H]2COCC[C@H]2OCc2ccccn2)c1C#N 218216496 UAKWSYZWPLEJNH-IAGOWNOFSA-N 340.383 2.143 30 50 EEEA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc(C#N)cc1 286703104 FTIILNFRYUZIEZ-OKZBNKHCSA-N 328.412 2.143 30 50 EEEA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2ncc(C#N)cc2Cl)cn1 888094896 HXYYSAGEYFYFCQ-UONOGXRCSA-N 345.790 2.070 30 50 EEEA N#Cc1cc(C[C@H]2CCN(C(=O)C3CC(F)(CN)C3)C2)ccc1F 2325792349 WMVJOKHSYAAJHC-MJJDPTRDSA-N 333.382 2.165 30 50 EEEA COc1cc(C#N)c(NC(=O)CN2C[C@@H](C)C[C@H](C)C2)cc1OC 1425567 FCUHNMGEMCNHJX-STQMWFEESA-N 331.416 2.492 30 50 EEEA C/N=C(/O)[C@H]1CCCN(c2ncnn3c(Br)ccc23)C1 328598757 OJJGAXCDKAISKN-VIFPVBQESA-N 338.209 2.295 30 50 EEEA CCc1nnsc1/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328618913 FEHPEEPZDLUCGQ-JSGCOSHPSA-N 331.445 2.493 30 50 EEEA CC(C)n1cc([C@]2(O)CCCN(c3ccc(C#N)cc3F)C2)nn1 284689701 XYSVMYGVIDTFEG-KRWDZBQOSA-N 329.379 2.358 30 50 EEEA CN(C)c1n[nH]c(C2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1 288316384 CXAPFTHUVZQXNK-UHFFFAOYSA-N 331.811 2.175 30 50 EEEA Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 167211571 BVJQHJMDSGDSAT-MLGOLLRUSA-N 341.371 2.150 30 50 EEEA N#CC1(NS(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCCC1 170596732 QDMFZMPOWPACIK-UHFFFAOYSA-N 327.337 2.239 30 50 EEEA N#Cc1cccnc1N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857682293 IJDGYSVVFCBKEJ-IBGZPJMESA-N 334.379 2.207 30 50 EEEA Cn1cc2c(n1)CCC[C@H]2C(=O)N1CC(Oc2ccc(C#N)cc2)C1 366957522 CRADXMQPJRHVDL-MRXNPFEDSA-N 336.395 2.001 30 50 EEEA C/N=C(/O)[C@@H]1CCCN(c2ncnn3c(Br)ccc23)C1 328598756 OJJGAXCDKAISKN-SECBINFHSA-N 338.209 2.295 30 50 EEEA C#C[C@](C)(CC)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1 1425904 MJPFXEQJIYVCBR-OAHLLOKOSA-N 349.847 2.326 30 50 EEEA CN(/C(O)=N/C[C@@H]1CCCS(=O)(=O)C1)C1CCC(F)(F)CC1 329710229 NNTIDLKVXMKFED-NSHDSACASA-N 338.420 2.235 30 50 EEEA COC(=O)[C@@H]1C[C@H]2CC(C)=CC(=O)[C@@]2(S(=O)(=O)c2ccccc2)C1 71786199 DEFURDMKANRPBC-HBUWYVDXSA-N 348.420 2.317 30 50 EEEA N#Cc1cccc(C(=O)N2CCC(CCN3CCCC3=O)CC2)c1 82091804 DZBMWXGDSWUAHB-UHFFFAOYSA-N 325.412 2.423 30 50 EEEA Cc1c(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)cnn1C 426478649 CHFKDWUHPHEXNO-UHFFFAOYSA-N 337.427 2.496 30 50 EEEA C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@@H]1OCCc2sccc21 294862423 ONDPDUGMRWKDBW-OQPBUACISA-N 327.369 2.103 30 50 EEEA CC1(C#N)CCN(c2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 95521022 DLRDXKKLNXSCNF-UHFFFAOYSA-N 336.395 2.383 30 50 EEEA CCOc1cccc(C=NN2CCN(c3ccccn3)CC2)c1O 244874824 XHTITEXGXBUVDF-UHFFFAOYSA-N 326.400 2.342 30 50 EEEA Cc1cnccc1CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 185659469 ZFYJGOVKCLXMRY-LJQANCHMSA-N 334.423 2.169 30 50 EEEA N#Cc1c(N)n(Cc2coc(-c3ccccc3C(F)(F)F)n2)[nH]c1=N 1875347001 HBZIPTPNWAEBFY-UHFFFAOYSA-N 348.288 2.472 30 50 EEEA C/N=C(/NCc1ncnn1C)N[C@@H](C)c1cccc(C(F)(F)F)c1 86651852 ITIKFAFPZJRCHY-JTQLQIEISA-N 340.353 2.260 30 50 EEEA N#Cc1cc([N+](=O)[O-])ccc1N1CCC([C@H](O)c2ncc[nH]2)CC1 170606524 TUXSQIMDEVHMFN-HNNXBMFYSA-N 327.344 2.140 30 50 EEEA Cc1cccnc1C(=O)NC[C@H]1CCCN(c2cccc(C#N)n2)C1 1506398454 DADJAQJQONMWEB-OAHLLOKOSA-N 335.411 2.303 30 50 EEEA N#Cc1ccccc1OCC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225537515 VZIOOKYATDORJK-DLBZAZTESA-N 340.354 2.411 30 50 EEEA C#Cc1cccc(NC(=O)C(=O)Nc2ccccc2C[S@@](C)=O)c1 120546864 RGMXQTWPCXFBCN-DEOSSOPVSA-N 340.404 2.124 30 50 EEEA CCOC(=O)C/C(N)=N/N(C)c1ncc(C(F)(F)F)cc1Cl 3135040 XPFKCLSGXWFMBR-UHFFFAOYSA-N 338.717 2.415 30 50 EEEA COc1cc(CN[C@H]2CCN(c3ncccc3F)C2)ccc1C#N 366930139 PPCMDZSSIDTUEI-HNNXBMFYSA-N 326.375 2.469 30 50 EEEA N#Cc1ccccc1OCC(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 367716969 CCDARSVBSBIBLY-IBGZPJMESA-N 340.354 2.196 30 50 EEEA CN1CCN(C)[C@H](CNC(=O)c2ccc(-c3cccc(C#N)c3)cc2)C1 426361475 ZTDLUYYGHKKTNE-HXUWFJFHSA-N 348.450 2.201 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)c1ccccc1)CC2 91873184 TWXFTXRXGOZMHJ-SFHVURJKSA-N 342.439 2.137 30 50 EEEA C=CC[C@]1(CO)CCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 91586420 GKESNTPISUAWEM-IBGZPJMESA-N 331.460 2.398 30 50 EEEA Cc1[nH]c(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)cc1C#N 95372543 CGZASTFIWPNUTG-CRAIPNDOSA-N 349.438 2.326 30 50 EEEA Cc1c[nH]c(C#N)nc1=N[C@H]1CCCN(C(=O)c2coc(Cl)c2)C1 1875360009 WIMXOPFQHVSYIE-LBPRGKRZSA-N 345.790 2.042 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 4682072 PYPBKMDOYWNVGI-UHFFFAOYSA-N 329.312 2.389 30 50 EEEA COCCC(=O)N1CCC(/N=C(/O)N(C)[C@H](C)c2cccnc2)CC1 331114748 MSJNGCZNMQUVTC-CQSZACIVSA-N 348.447 2.016 30 50 EEEA C#CCCC1(CCNC(=O)c2cc3c(OC)cc(OC)nc3[nH]2)N=N1 2325900210 PGEIUOJVPUXRJF-UHFFFAOYSA-N 341.371 2.276 30 50 EEEA CN(C)c1n[nH]c(C2CCN(c3ncc(C#N)cc3Cl)CC2)n1 285779104 WRYUPJLPHOCGQK-UHFFFAOYSA-N 331.811 2.175 30 50 EEEA COCc1cc(N[C@H]2COCC[C@@H]2Oc2ccc(C#N)cc2)ncn1 1565506602 SSOCKYCKSVGGII-IRXDYDNUSA-N 340.383 2.143 30 50 EEEA CN1CCN(C(=O)Cc2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)CC1 193085467 GSYLUWFEHBAREI-HKUYNNGSSA-N 340.471 2.497 30 50 EEEA CCOC(=O)c1sc2ncn(/N=C/c3ccccn3)c(=O)c2c1C 126144 ZNJKCROIWKCSPS-UFWORHAWSA-N 342.380 2.220 30 50 EEEA CN1CCO[C@@H]2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 285007040 MCUBTEIDSONIQF-LSDHHAIUSA-N 325.334 2.486 30 50 EEEA N#Cc1ncn(CC(=O)N2CCC(Cc3ccccc3)CC2)c1C#N 180422629 RPBZVVLNBFLGIK-UHFFFAOYSA-N 333.395 2.108 30 50 EEEA C=CCN(CC(=O)N1C[C@H](C)O[C@H](C)C1)Cc1cccc(C#N)c1 299296176 BYCMQEPIALBRGQ-IYBDPMFKSA-N 327.428 2.182 30 50 EEEA CC(C)c1noc(C2CCN(C(=O)c3cc(C#N)cn3C)CC2)n1 952975594 ZIYVFIQIMQJSFB-UHFFFAOYSA-N 327.388 2.423 30 50 EEEA Cc1ccc(S(=O)(=O)n2ccc(B3OC(C)(C)C(C)(C)O3)c2)cc1 169935477 GNMRYBQNNQYUDW-UHFFFAOYSA-N 347.245 2.333 30 50 EEEA in-vitro CNc1nc(-c2cccc(C(=O)N3CCC[C@H](C#N)C3)c2)ncc1F 426477530 HTQKNZDNSPSULS-GFCCVEGCSA-N 339.374 2.700 30 50 EEEA N#Cc1ccc(C(=O)NCCc2csc(-c3ccncc3)n2)cn1 252510309 ZGQJBCDFCFNDNX-UHFFFAOYSA-N 335.392 2.444 30 50 EEEA Cc1ccc(S(=O)(=O)n2cccc2B2OC(C)(C)C(C)(C)O2)cc1 169905138 SBOBTZKFRFZIPG-UHFFFAOYSA-N 347.245 2.333 30 50 EEEA in-vitro CCN1CCN([C@@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)CC1 187002116 PLHPERYANFYORW-GOSISDBHSA-N 332.879 2.423 30 50 EEEA Cc1cnccc1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 188279265 VZMPLUMWJRHVRS-IBGZPJMESA-N 349.438 2.310 30 50 EEEA C#CCOc1ccc(/C=C2\NC(=S)N(CC)C2=O)cc1OCC 3464435 GKTCGWALVRAMOA-RAXLEYEMSA-N 330.409 2.175 30 50 EEEA CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)[C@H]1CCCc2ccccc21 328768512 BSIYYRPZAPRFLI-ZBFHGGJFSA-N 336.457 2.487 30 50 EEEA COc1cc(C(=O)O/N=C(\N)c2ccccc2)cc(OC)c1OC 4803100 VYSBOSOANCWIGF-UHFFFAOYSA-N 330.340 2.190 30 50 EEEA CCn1ccnc1CN1CC[C@@H](CNC(=O)c2ccc(C#N)cc2)C1 67712972 MBXIFUMROLYWGI-INIZCTEOSA-N 337.427 2.027 30 50 EEEA Cn1nccc1N/C(O)=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 328614533 AIEPCZCUBMFAGO-VIFPVBQESA-N 342.325 2.224 30 50 EEEA N#Cc1cccc(CCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 367004759 OGIJSRABYUNAKO-HKUYNNGSSA-N 327.428 2.437 30 50 EEEA COC(=O)c1n[nH]cc1-c1c(C#N)c(N)nc2c1COc1ccccc1-2 71759690 KHFGNOUUBIFCQL-UHFFFAOYSA-N 347.334 2.272 30 50 EEEA C=CCn1c(S[C@H](C)C(=O)N2CCCC2)nnc1C1CCNCC1 426641566 PNYBNGIAMUGPSC-CYBMUJFWSA-N 349.504 2.034 30 50 EEEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)c2cc(C(C)(C)C)nc(O)n2)C1 91665124 BOXXXZZVKMKYTC-GOSISDBHSA-N 347.415 2.363 30 50 EEEA C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1ccnc(C#N)c1 1875365352 BQMHNJHDCTWSOO-GFCCVEGCSA-N 333.351 2.364 30 50 EEEA Cn1c(Sc2cc(C#N)ccc2[N+](=O)[O-])nnc1[C@@H]1CCCNC1 274258242 MBVRCKZZZCSWAW-LLVKDONJSA-N 344.400 2.213 30 50 EEEA C=C(C)COc1cccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 55405217 BKECYANDABPJOH-LJQANCHMSA-N 344.455 2.465 30 50 EEEA CC(C)(C)c1ccc([C@H](O)C/N=C(/O)[C@H]2CN3CCCN2CC3)cc1 328586871 VBYFVAIWXMBCMX-QZTJIDSGSA-N 345.487 2.364 30 50 EEEA C[C@H](O/N=C(/N)c1ccc2c(c1)CCO2)C(=O)N1CCCCCC1 158223567 WUUCFPMCXIAUJG-ZDUSSCGKSA-N 331.416 2.050 30 50 EEEA C=CCn1ncc2c(O)nc(N3CCC(c4cnco4)CC3)nc21 1875288202 ROPOYBURRGCZKH-UHFFFAOYSA-N 326.360 2.090 30 50 EEEA CC#CC(=O)NC[C@@H](NC(=O)C#CC)c1cccc(C(F)(F)F)c1 408515940 XEBOFNVKTCNAOJ-CQSZACIVSA-N 336.313 2.026 30 50 EEEA Cc1cscc1N/C(O)=N/C1CCN(c2nccn(C)c2=O)CC1 328629028 HUHVYQGPHQKEMX-UHFFFAOYSA-N 347.444 2.145 30 50 EEEA COC(=O)c1ccsc1N1CC[C@H](Nc2ccc(C#N)nc2)C1=O 241837526 SKVJYKLJBFPANV-ZDUSSCGKSA-N 342.380 2.019 30 50 EEEA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cc(C#N)n(C)c1 685939812 JVVCYEDNVXMEBQ-MRXNPFEDSA-N 340.431 2.049 30 50 EEEA C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C=C[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3 936070096 XJUPOHKZSDZNBE-YXBKOPBNSA-N 348.395 2.036 30 50 EEEA biogenic,in-vitro CCc1cc2c3c(c1)/C(=N\NC(N)=S)C(=O)N3C(C)(C)C=C2C 100096714 RVNKWJJYDMZLDM-CPNJWEJPSA-N 328.441 2.328 30 50 EEEA CC[C@H](/N=C(/O)N1CCO[C@H](c2nncn2C)C1)c1cccs1 328620103 GRFMXSGHBSJGOB-RYUDHWBXSA-N 335.433 2.315 30 50 EEEA CC(C)n1cc([C@@]2(O)CCN(c3ccc(Cl)cc3C#N)C2)nn1 284392990 ANIFPXZOIVXJGV-MRXNPFEDSA-N 331.807 2.482 30 50 EEEA C=CC[C@@]1(C(=O)O)CCCN(C(=O)CCc2c(C)nn(C)c2C)C1 91547313 SQBGGPHRBPXRDS-GOSISDBHSA-N 333.432 2.239 30 50 EEEA COC(=O)c1ccc(/C=N/n2c(S)nnc2-c2cccnc2)cc1 1243925 CPBAUKPBMVIBSC-GIJQJNRQSA-N 339.380 2.298 30 50 EEEA CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1cc(C#N)cs1 359514131 JHBCJGFPQBTJQU-GFCCVEGCSA-N 326.443 2.049 30 50 EEEA COc1ccc(C#N)cc1CN1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O 331964783 QUFQFCWMWPUZDP-ZHALLVOQSA-N 330.428 2.319 30 50 EEEA O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@H]2C12CC2 105209329 MDGVFZYSSMDXTB-BUUWJTRTSA-N 337.335 2.126 30 50 EEEA N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCOC3)C2)c(F)c1 253423986 VIIKGRZKQJPOKQ-GJZGRUSLSA-N 331.391 2.209 30 50 EEEA CCc1nnc(N2CCN([C@@H]3CCSC3)CC2)c(C#N)c1CC 366030817 CHILVVSIXTZNLZ-CYBMUJFWSA-N 331.489 2.101 30 50 EEEA Cc1ccc(O)c(C(=O)N2CCN(c3ccc(C#N)cc3)C(=O)C2)c1 77377015 XGPYWBRXNKKDLL-UHFFFAOYSA-N 335.363 2.061 30 50 EEEA Cc1c(CN2CCC(C(=O)N3CCCCC3)CC2)cc(C#N)n1C 77440221 VRUVXRYDXZOLCV-UHFFFAOYSA-N 328.460 2.430 30 50 EEEA CN(C)c1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)c1 293386798 NYKRVCZCESJSTP-YJBOKZPZSA-N 326.444 2.181 30 50 EEEA Cc1ncsc1C/N=C(/N)N1CCN(c2ccc(F)cc2)CC1 170621551 ZYYNGCVADXZIOF-UHFFFAOYSA-N 333.436 2.228 30 50 EEEA CC/N=C(/NCCn1cnnc1CC)N1CC[C@@H](c2ccccc2)C1 86715883 KHKFVAYIFHKIQY-QGZVFWFLSA-N 340.475 2.296 30 50 EEEA C=CCC[C@H](NC(=O)Cc1ccc(OCCOC)cc1)C(=O)OCC 408520573 MPNRDYDXVDFZEN-KRWDZBQOSA-N 349.427 2.268 30 50 EEEA N#C/C(=N/Nc1cccc(C(F)(F)F)c1)C(=N)N1CCOCC1 3664722 ZVXWHWRRQYRGBN-PHCZRBLDSA-N 325.294 2.306 30 50 EEEA C=CCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O 2707869 KCUMEYAIDXMSOG-UHFFFAOYSA-N 338.157 2.480 30 50 EEEA C=CCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 2961108 RJOZRDXVKKASAD-UHFFFAOYSA-N 337.228 2.062 30 50 EEEA CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(c2ccc(F)cc2)CC1 252502970 UWBVEFJBCGYDOY-ZDUSSCGKSA-N 339.436 2.173 30 50 EEEA C[C@H](/C(O)=N/C12CC3CC(CC(C3)C1)C2)N(C)[C@@H]1CCN(C)C1=O 329097738 YNEOSBKXDXXAKN-KZUMUSTHSA-N 333.476 2.463 30 50 EEEA C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc23)C[C@H]1C(N)=O 284568131 IKERLNLVPPBIHX-GMSGAONNSA-N 334.301 2.081 30 50 EEEA C=CCN(C)C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 496365109 RGPHFYCQCHYPAU-ZDUSSCGKSA-N 349.435 2.108 30 50 EEEA C[C@H](NC(=O)Cn1cnc(C#N)c1C#N)c1ccc2c(c1)CCCC2 180420165 KGKFRBUTWSOHFF-ZDUSSCGKSA-N 333.395 2.383 30 50 EEEA N#Cc1ccc(N[C@H]2C[C@@H](c3cc(O)nc(N4CCCC4)n3)C2)nc1 253534896 RYFIFRCHCMIWHY-OKILXGFUSA-N 336.399 2.407 30 50 EEEA CC[C@H](C)[C@H](C(=O)N(C)CCC#N)N1C(=O)c2ccccc2C1=O 1875257202 SFDWYTHLKKOJBB-SWLSCSKDSA-N 327.384 2.069 30 50 EEEA COc1ccc([C@H]2CN(c3cc(C#N)ccn3)C[C@@H]2NC(C)=O)cc1 1565515840 ATHITHYAXFMSQT-MSOLQXFVSA-N 336.395 2.070 30 50 EEEA COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)CC#N 170599373 YMNDYAUUABFXAU-GFCCVEGCSA-N 325.162 2.035 30 50 EEEA C#CCNC(=O)c1ccc(N[C@H](C)[C@@H](O)c2ccc(F)cc2)nc1 189629515 VVEJTBDJJAENED-SJKOYZFVSA-N 327.359 2.118 30 50 EEEA CC(=O)NC1CC([C@H]2CCN(C(=O)c3cccc(F)c3C#N)C2)C1 2325848249 CGAYWZCXRNWDRF-HSBZDZAISA-N 329.375 2.074 30 50 EEEA N#CCN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccccc1 230258625 GNLXTPXOQBHTDM-QZTJIDSGSA-N 327.428 2.182 30 50 EEEA CC1(C)OB(c2cc(F)cc3c(O)c(C(=O)O)cnc23)OC1(C)C 170006890 WKZSISIZGVJHSN-UHFFFAOYSA-N 333.124 2.077 30 50 EEEA COc1ccc(OC)c2c1CN(C(=O)c1cc(C#N)cs1)C[C@H]2O 176890173 YPXALPFEZRKPRL-GFCCVEGCSA-N 344.392 2.326 30 50 EEEA CCN1C(=O)C[C@@H](CNCC(C)(C)CCC#N)[C@@H]1c1nccn1C 886036502 BQWUOTQSXKEURP-GOEBONIOSA-N 331.464 2.249 30 50 EEEA CCc1ocnc1C(=O)N[C@H]1CCOC[C@@H]1Oc1ccc(C#N)cc1 1565512933 GICATUGFJNAEJJ-HOCLYGCPSA-N 341.367 2.075 30 50 EEEA Oc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)cc1O 1300175 XBKMTEAQGIXXFJ-RQZCQDPDSA-N 342.380 2.439 30 50 EEEA Cc1oc(C#N)cc1C(=O)N1CCN(CC(F)(F)F)C[C@@H](C)C1 331686413 WADBRDPPDQHGDF-SNVBAGLBSA-N 329.322 2.416 30 50 EEEA C=CCn1cc(CNC2CCN(c3ncccc3C#N)CC2)c(C)n1 55131591 MSBBWKSELXRWFL-UHFFFAOYSA-N 336.443 2.403 30 50 EEEA COC(=O)c1cc(NC(=O)N2CCC(C#N)CC2)cc(C(=O)OC)c1 67012508 WCJXKSZZGMLLIZ-UHFFFAOYSA-N 345.355 2.027 30 50 EEEA CC1=NNC(=O)[C@@H]1[C@H](c1ccc(Br)cc1)C(C#N)C#N 100363962 JGLGUOLSSHYZSX-QWHCGFSZSA-N 331.173 2.318 30 50 EEEA Cc1conc1N/C(O)=N/[C@H](c1nc(C(C)C)no1)C1CCOCC1 328631464 QZHWYIOBQIJEGF-LBPRGKRZSA-N 349.391 2.983 30 50 EEEA N#Cc1cccc([C@@H]2CN(C(=O)C(F)(F)C3(O)CCC3)CCO2)c1 371274158 CPNZZCLLOJLZMD-AWEZNQCLSA-N 336.338 2.008 30 50 EEEA Cc1cccc2c1OC[C@H](/N=C(/O)N1CC[C@@H](c3nccn3C)C1)C2 329756973 YZOYTSHWTUMDDF-HZPDHXFCSA-N 340.427 2.436 30 50 EEEA N#Cc1ccc(NCCc2nc(C3CCOCC3)n[nH]2)c([N+](=O)[O-])c1 952994563 XIYDBDIDWIGKII-UHFFFAOYSA-N 342.359 2.133 30 50 EEEA COCCCN1C(=O)CC[C@@H]2CN(Cc3ccccc3C#N)CC[C@@H]21 1565513361 UNWGVAUYJOZZDM-MOPGFXCFSA-N 341.455 2.408 30 50 EEEA C[C@@H]1CN(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)C[C@@H](C)O1 1775977761 WLXLPVBGWVUKNV-VXGBXAGGSA-N 347.396 2.011 30 50 EEEA Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1C#N 302608302 DOWSOKSDJHRWQF-UHFFFAOYSA-N 338.386 2.292 30 50 EEEA O/C(=N/[C@@H]1CCN(c2ncccc2Cl)C1)[C@H]1CCc2nn[nH]c2C1 328967705 NMCIOXQILIKYAQ-WDEREUQCSA-N 346.822 2.193 30 50 EEEA CC/N=C(/O)N1CCC(N[C@H]2CCCO[C@@H]2c2nccn2CC)CC1 328623668 CBGFRIXOBZQOAP-HOTGVXAUSA-N 349.479 2.111 30 50 EEEA OC1=NCCN(/C(O)=N/[C@@H]2CCc3c[nH]nc3C2)[C@@H]1c1ccccc1 329841490 KBDITLQBBAZADH-GDBMZVCRSA-N 339.399 2.194 30 50 EEEA CC(C)Oc1cc(Br)ccc1/C(O)=N/[C@H]1CNC(=O)C1 330728839 HHLRVRSRTDQIAL-SNVBAGLBSA-N 341.205 2.429 30 50 EEEA O=C1CCCC(=O)N1CC/N=C(/O)[C@@H]1CC(O)=Nc2cc(F)ccc21 329665449 PYFFAOGZUZCMOQ-GFCCVEGCSA-N 347.346 2.397 30 50 EEEA Cc1ccc(-c2nn(C)cc2C(=O)NCC#C[C@@H]2CCCCO2)o1 891105378 ANRXLKMQKHRLOC-AWEZNQCLSA-N 327.384 2.291 30 50 EEEA C=CC(=O)Nc1ccc(NC(C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 169905189 BKLJRACQSRDTRR-UHFFFAOYSA-N 330.193 2.069 30 50 EEEA in-vitro C=CC[C@@H](NC(=O)c1ccccc1-c1nnc(C)o1)C(=O)OCC 170594861 UBLBIQWZLAPMQK-CQSZACIVSA-N 329.356 2.283 30 50 EEEA C=CCNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 12432338 FAZSARZLSFRGMZ-INIZCTEOSA-N 339.399 2.171 30 50 EEEA N#Cc1ccccc1OCC(=O)N1C[C@H](O)C[C@H]1c1cccc(F)c1 225681070 CYNIEQLXJUVOCH-SJORKVTESA-N 340.354 2.411 30 50 EEEA N#Cc1cccc(CCNC(=O)N2CC[C@@H](CN3CCCC3)C2)c1 374277729 NFXFGULLANHLQO-SFHVURJKSA-N 326.444 2.228 30 50 EEEA N#CC1(NC(=O)CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1 331536616 FYJCXDPXLCQLAQ-IAGOWNOFSA-N 345.418 2.276 30 50 EEEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](CCC(=O)O)C1 237544457 MSGYXDDJAFITHL-ZIAGYGMSSA-N 330.384 2.429 30 50 EEEA Cc1nc(C)n(C[C@@H]2CCCN2C(=O)/C=C/c2cccc(C#N)c2)n1 370991659 LHCUTSRYHKTPJO-BLGFXRMMSA-N 335.411 2.471 30 50 EEEA Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1cccc(C#N)c1 183692750 IUPFAVQSMCUAFE-KRWDZBQOSA-N 337.354 2.319 30 50 EEEA COC1=CC2(C=C(OC)C1=O)C=C(c1ccc(OC)cc1)C(=O)O2 253470626 RUQNHNHIYQQZEB-UHFFFAOYSA-N 328.320 2.018 30 50 EEEA C#CCO[C@@H](C)C(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 952891247 CMJIGUBCPSBURO-LBPRGKRZSA-N 343.358 2.014 30 50 EEEA C=CCN(Cc1ccc(C)s1)S(=O)(=O)N1CCC[C@H]1COC 952961090 JJQZFKQXHZCVJC-AWEZNQCLSA-N 344.502 2.400 30 50 EEEA COc1cc([C@@H](c2c(O)n[nH]c2C)C(C#N)C#N)cc(OC)c1OC 76307 YVDMFAPZHWFUEE-OAHLLOKOSA-N 342.355 2.245 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc3[nH]nc(C(=O)OC)c3c2)N=N1 2325899949 FXJJDEQORFBEEJ-UHFFFAOYSA-N 339.355 2.045 30 50 EEEA CC1=CC(C)(C)N2C(=O)/C(=N/NC(N)=S)c3c(C)c(C)cc1c32 100096718 NRXJILHUNQSVII-CPNJWEJPSA-N 328.441 2.383 30 50 EEEA N#Cc1cc2c(nc1N1CCN(C(=O)Cc3ccccc3)CC1)CCC2 298755379 YJKGWRHOGRLWGP-UHFFFAOYSA-N 346.434 2.333 30 50 EEEA CO[C@H]1CN(Cc2cc(C#N)n(C)c2C)C[C@H]1Cc1cc(C)no1 1529114962 UZSZDKALAMQZMD-QAPCUYQASA-N 328.416 2.191 30 50 EEEA C=CCN1C(=S)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 4192117 JKCQZOMLVXRUMF-QWHCGFSZSA-N 342.873 2.099 30 50 EEEA CCOc1ncc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1Cl 112484336 AAHCNHWMRGWKQQ-NSHDSACASA-N 344.758 2.490 30 50 EEEA C[C@H]1Cc2cc(Cn3ccc4nc(O)c(C#N)cc4c3=O)ccc2O1 67907908 VENJIVNUQBLGRH-NSHDSACASA-N 333.347 2.345 30 50 EEEA Cc1noc([C@H](/N=C(/O)c2cnc(C)nc2C)C2CCOCC2)n1 328608843 BKSGPUKSSQWZBI-CQSZACIVSA-N 331.376 2.257 30 50 EEEA Cn1cncc1[C@@H]1C[C@@H](/N=C(/O)c2cccc3c2OCO3)CCO1 328625929 LDNGTGPINIMEGQ-NHYWBVRUSA-N 329.356 2.374 30 50 EEEA CN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1CCC(O)CC1 342909721 FNOSNFGELONETC-QQFBHYJXSA-N 345.418 2.286 30 50 EEEA C#C[C@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 291780550 XGGOHMAMBFCPSQ-IINYFYTJSA-N 334.338 2.314 30 50 EEEA COC(=O)CCC/C=C1/SC[C@H](NC(=O)c2ccccc2)C1=O 2090587 REWMSZNKXQXWJY-FYQHACEVSA-N 333.409 2.328 30 50 EEEA Cc1cc(C)c(C#N)c(N2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)n1 1857734644 YMZSHCUVEZSZEG-RCLSDMTESA-N 349.434 2.143 30 50 EEEA N#Cc1cccc(Cl)c1N1CCC(N2CCCS2(=O)=O)CC1 334112405 DAUYKYWJYXJZHW-UHFFFAOYSA-N 339.848 2.216 30 50 EEEA N#Cc1cnc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc1N 65384767 RPMHTGKLJNVPSF-ZWKOTPCHSA-N 345.406 2.438 30 50 EEEA CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCc2ccc(C#N)cc21 369768723 XYEAFRQDAHUTOH-FQEVSTJZSA-N 345.402 2.421 30 50 EEEA COc1cccc2c1C1(CCN(c3nccnc3C#N)CC1)OCC2 1704344442 NSAKSWRVKCVJIH-UHFFFAOYSA-N 336.395 2.425 30 50 EEEA CC#CC(=O)N[C@H](CC(=O)OC)c1ccc(OC(F)(F)F)cc1 252501512 UGTCDXWVRKEAMS-GFCCVEGCSA-N 329.274 2.329 30 50 EEEA O=C(/C=C\c1ccc2c(c1)OCO2)C[C@]1(O)C(=O)Nc2ccccc21 12660715 AJJYRWYJJMMKIT-SUOMESGTSA-N 337.331 2.228 30 50 EEEA biogenic C=C/C(O)=N/CCOC1(C/N=C(/O)OC(C)(C)C)CCOCC1 328598726 NZUDMEWDBNBENZ-UHFFFAOYSA-N 328.409 2.424 30 50 EEEA Cc1nc(N/C(O)=N/[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)oc1C 328623685 JGWVVDRDQMZENY-JSGCOSHPSA-N 333.392 2.498 30 50 EEEA CN(C)C(=O)c1ccnc(N=C(O)N2CCC[C@@H]2C2CCOCC2)c1 329017141 GOJVRYFUDZQPFY-OAHLLOKOSA-N 346.431 2.220 30 50 EEEA COCCCN1C[C@]2(CCCN(c3ncccc3C#N)C2)CCC1=O 72479015 KLEFFSGONLXOPX-IBGZPJMESA-N 342.443 2.199 30 50 EEEA O=C(CN1C=C/C(=C2/C=CC=[S+]2)N=C1)c1ccccc1[N+](=O)[O-] 328579955 YLFANRUCKZIPAB-DTQAZKPQSA-N 326.357 2.301 30 50 EEEA N#Cc1ccc(CN2CC[C@H](NCc3cccc4nccn34)C2=O)cc1 192242052 MQESRCFVUBTYIP-SFHVURJKSA-N 345.406 2.097 30 50 EEEA C=CCN1CC[C@@H](Nc2cc(C[S@](C)=O)ccc2Cl)C1=O 252498708 RJCIZRCMLJSLPI-ASSNKEHSSA-N 326.849 2.417 30 50 EEEA C=CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccccc1C 6741823 IFCOPBBXDWGZKC-LBPRGKRZSA-N 332.429 2.490 30 50 EEEA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 247519335 WPFIEKGYQKULRM-YPMHNXCESA-N 339.848 2.069 30 50 EEEA CC(C)CN(CC#Cc1ccccc1)C(=O)[C@H](C)N1CCN(C)CC1 55108177 LGDNTSISUDCCFN-IBGZPJMESA-N 341.499 2.159 30 50 EEEA CC(C)(C)c1nc(CN2CCN(c3cnc(C#N)cn3)CC2)cs1 121764520 FMCLFIDBLKTGOX-UHFFFAOYSA-N 342.472 2.424 30 50 EEEA N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 370471454 UJXUNKAMQNEFLS-WAVCKPEOSA-N 333.395 2.350 30 50 EEEA CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 245226947 TTZLOJRHGLDNSU-NRSGSDFTSA-N 336.391 2.472 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)N=N1 952882828 XTVNHFXOSWRITB-KBPBESRZSA-N 329.404 2.112 30 50 EEEA C#CCCC1(CCC(=O)N2CCOc3c(cccc3C(=O)O)C2)N=N1 952879951 SVLNSODHKRFDFF-UHFFFAOYSA-N 341.367 2.462 30 50 EEEA N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[C@H](C(N)=O)C1 169961323 NYBXOOGWBDRUNP-JTQLQIEISA-N 346.337 2.410 30 50 EEEA N#Cc1ccc(N2CC[C@@H](Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 114749399 TYXKMAJIPVOOTN-MRXNPFEDSA-N 348.362 2.107 30 50 EEEA O=C(O)C[C@H]1S/C(=N/N=C/c2cccc(C(F)(F)F)c2)NC1=O 4755894 AYKKHBDSONULFU-PXWMTNQWSA-N 345.302 2.102 30 50 EEEA C=CCn1cc(CN2CCN(Cc3ccccc3F)C(=O)C2)c(C)n1 55133164 PEWVGUQLCLZOBM-UHFFFAOYSA-N 342.418 2.361 30 50 EEEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)/C(O)=N/Cc1ccco1 328624777 KFIPRPFDSFWKPV-WMLDXEAASA-N 345.447 2.442 30 50 EEEA Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(-c2ccncc2)n1 437314720 OMCNZALOLPYBBX-UHFFFAOYSA-N 339.380 2.248 30 50 EEEA C=CCN1CC[C@@]2(CCC1=O)CN(C(=O)OCCCC)CCN2C 91603571 GMKUNHKMNPLYEE-SFHVURJKSA-N 337.464 2.108 30 50 EEEA N#Cc1ccccc1OCC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225537486 VZIOOKYATDORJK-IAGOWNOFSA-N 340.354 2.411 30 50 EEEA N#Cc1c[nH]c2ccccc2c1=N[C@H]1CCN(C(=O)c2cccnc2)C1 378157617 IJASUAOEMUCGMI-INIZCTEOSA-N 343.390 2.250 30 50 EEEA CC(C)(C)O/C(O)=N/CC/C(O)=N/C[C@H](CO)Cc1ccncc1 328592186 KEHPMKIXIWLDIW-CQSZACIVSA-N 337.420 2.308 30 50 EEEA O/C(=N/[C@@H]1CCCN(c2nccnc2O)C1)c1cccc2c[nH]nc12 328623953 CEPCFYLPZUJYSL-GFCCVEGCSA-N 338.371 2.032 30 50 EEEA CCC#CCN1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 72430174 LZFBLHNLPVGURF-UHFFFAOYSA-N 328.460 2.214 30 50 EEEA Cc1cc(F)cc2[nH]c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc12 369463994 BNPZODAXJLOLQH-AWEZNQCLSA-N 326.375 2.428 30 50 EEEA N#C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)CCN1Cc1ccccc1 246285087 ABZOTZCHWWBLHM-UYAOXDASSA-N 347.418 2.227 30 50 EEEA COc1ccc(CN[C@@H]2CCO[C@H](c3cncn3C)C2)cc1C#N 275662344 VCZMXUSLXVAMHR-QAPCUYQASA-N 326.400 2.310 30 50 EEEA CCOC(=O)C1CCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)CC1 229445 BWXJEMJEIXNQFM-UHFFFAOYSA-N 343.423 2.224 30 50 EEEA Cc1c(CNCC2(N3CCCCC3)CCOCC2)cc(C#N)n1C 111403920 FWZONMYZCOWXJT-UHFFFAOYSA-N 330.476 2.330 30 50 EEEA Cc1noc(C2CC2)c1N=C(O)N1CCN(C)[C@@H](c2nccn2C)C1 330341886 ZWAVYATZWPBSRF-CYBMUJFWSA-N 344.419 2.128 30 50 EEEA C/C(=N/NS(=O)(=O)c1ccc(C)cc1)[C@]12[C@H]3[C@@H]4C[C@@H]5[C@@H]3[C@@H]1[C@@H]5[C@@H]42 257346669 ZQQVKCRFFOXSQC-SVZPDRCOSA-N 328.437 2.407 30 50 EEEA C[C@@H]1O[C@H](C)Cc2c(C(=O)N(CCC#N)Cc3ccccn3)n[nH]c21 1875394230 ZWPXBZIDENYBMJ-OLZOCXBDSA-N 339.399 2.383 30 50 EEEA COc1cnc(N/C(O)=N/C[C@H]2CCN(CC(F)(F)F)C2)s1 330738569 ZIUBERXODZGPRU-MRVPVSSYSA-N 338.355 2.362 30 50 EEEA C#CCCC1(CCC(=O)NCc2c(C)nc3cc(O)nn3c2C)N=N1 2325886047 CQYAQYPPZSEBTQ-UHFFFAOYSA-N 340.387 2.024 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)N=N1 2325886854 LTMQWLNJQOZAQI-GFCCVEGCSA-N 343.387 2.210 30 50 EEEA CCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C#N)C1 6743675 RYOHNWYHVZYKQN-OAHLLOKOSA-N 349.456 2.339 30 50 EEEA CC(C)n1cc(C(=O)/C=C/c2ccc(F)c(S(N)(=O)=O)c2)cn1 253426479 VNUSYHFUGJSZOS-GQCTYLIASA-N 337.376 2.147 30 50 EEEA CCN1C[C@]2(CCCN(C(=O)c3ccccc3C#N)C2)CCC1=O 72430075 UAIDRXINIHZFDS-IBGZPJMESA-N 325.412 2.423 30 50 EEEA COCCN1CC2(CCC1=O)CCN(Cc1cccc(C#N)c1)CC2 91656426 QCDYSXJAWTYQJQ-UHFFFAOYSA-N 341.455 2.409 30 50 EEEA COCCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(C)c(C#N)c1 299795271 LLKRECCJOHFYRF-ZDUSSCGKSA-N 342.403 2.377 30 50 EEEA C[C@@H]1C[C@@H](CNc2ccc(S(=O)(=O)N(C)CC#N)cc2)CCO1 952850295 WRJJWVHLNFHQPN-KGLIPLIRSA-N 337.445 2.058 30 50 EEEA CNS(=O)(=O)C[C@H]1CCCN1c1ccc(C#N)c(C(F)(F)F)c1 170022290 YMDLOXDUFRCGKC-GFCCVEGCSA-N 347.362 2.095 30 50 EEEA C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)Cc1nccn1C(F)F 281788384 LDFMBIWVWSYJID-YPMHNXCESA-N 328.363 2.401 30 50 EEEA N#Cc1cc(S(=O)(=O)NCc2ccc[nH]2)ccc1C(F)(F)F 253397688 MWWZDSGBUARVTE-UHFFFAOYSA-N 329.303 2.384 30 50 EEEA Cn1ccnc1[C@@H]1OCCC[C@H]1CNC(=O)c1cccc(CC#N)c1 858008129 KDZNCRJJVSCWEZ-DLBZAZTESA-N 338.411 2.384 30 50 EEEA C=CCOc1c(CNCCCN2CCOCC2)cccc1OCC 4670803 XVKIYUBWTSYVTN-UHFFFAOYSA-N 334.460 2.462 30 50 EEEA COC[C@@H](C)NC(=O)[C@@H]1CCCN(C(O)=Nc2cccc(C)c2)C1 330599971 GZEWJKRXPKSWKP-HUUCEWRRSA-N 333.432 2.404 30 50 EEEA COCCCN1C[C@@]2(CCCN(c3ccc(C#N)cn3)C2)CCC1=O 72425663 WBACCPUYJMAHRU-IBGZPJMESA-N 342.443 2.199 30 50 EEEA CCn1nccc1[C@@H]1C2=C(CCCC2=O)Nc2nc(SC)nn21 20607191 STJIVPPXXCPLAL-CYBMUJFWSA-N 330.417 2.238 30 50 EEEA CCc1nc(CCNC(=O)c2ccc(C#CC(C)(C)O)o2)cs1 244695600 JPHNPJHLBGXQQL-UHFFFAOYSA-N 332.425 2.393 30 50 EEEA COC[C@@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ccccn1 952990200 LKALKWBQLGHAIM-GOSISDBHSA-N 338.407 2.322 30 50 EEEA O=C(c1ccco1)N1CCC[C@@H](NCc2ccc(C#CCO)s2)C1 952976011 KRJYBHLDKBQZSX-CQSZACIVSA-N 344.436 2.079 30 50 EEEA CCOC(=O)c1cc(S(=O)(=O)N[C@H](C#N)CC)c(F)cc1Cl 888099810 RXXQTHLVOWLTGS-QMMMGPOBSA-N 348.783 2.236 30 50 EEEA C#CCN(C)S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1Br 1775993887 NIKIKDCNXZTTGW-WCQYABFASA-N 328.231 2.200 30 50 EEEA CCN1CCN(/C(O)=N/Cc2ccccc2)C[C@H]1c1nccn1C 328618922 FEXWHFLAVLVLEI-INIZCTEOSA-N 327.432 2.213 30 50 EEEA C=CCN1CCN(CCn2cc(CN3CCC[C@H](C)C3)c(C)n2)CC1 65397977 MGOMUFJRZKUFIH-SFHVURJKSA-N 345.535 2.227 30 50 EEEA CCOC/C(O)=N/C(C)(C)CC(=O)N1CCN(c2ccccc2)CC1 328590038 ZYXZNBMKVHHZEO-UHFFFAOYSA-N 347.459 2.497 30 50 EEEA N#C[C@@]1(CO)CC12CCN(C(=O)NC1(C(F)(F)F)CCC1)CC2 2325781590 LJSBNYRNOYAMSY-CYBMUJFWSA-N 331.338 2.169 30 50 EEEA Cc1c(CCO)sc[n+]1CC(=O)OC12CC3CC(CC(C3)C1)C2 4714707 ZFUUQYOLRPPMIU-UHFFFAOYSA-N 336.477 2.391 30 50 EEEA CC1(C)CC(=O)C=C(C(=O)NC[C@@H]2CCCN(Cc3ccco3)C2)O1 67773794 XRLYYOLMDGPIGI-AWEZNQCLSA-N 346.427 2.260 30 50 EEEA Cn1ncc2c(N3CCN(Cc4ccc(C#N)cc4)CC3)ccnc21 286988407 OKACEJXWXDAQHF-UHFFFAOYSA-N 332.411 2.162 30 50 EEEA COC(=O)c1ccsc1N1CC[C@@H](Nc2ccc(C#N)nc2)C1=O 241837525 SKVJYKLJBFPANV-CYBMUJFWSA-N 342.380 2.019 30 50 EEEA Cc1noc([C@H](C)OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)n1 225467563 WUKAQQRNFRJICF-VIFPVBQESA-N 345.359 2.067 30 50 EEEA Cc1cnc([C@H](/N=C(/O)c2cn([C@H]3CCOC3)nn2)C2CC2)s1 330101885 IDXOFMWHVGZXIJ-WCQYABFASA-N 333.417 2.460 30 50 EEEA CC(=O)N1CCC(N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 236612867 SQBBDFWAYWNANE-QGZVFWFLSA-N 344.434 2.267 30 50 EEEA C=CCOc1cc(Cl)c(CN2CCO[C@H](C(=O)O)C2)cc1OC 820491572 XYCGHLIAOZSAJL-HNNXBMFYSA-N 341.791 2.199 30 50 EEEA COc1cc(CO)c(OCc2cn3ccccc3c2C#N)c(CO)c1 192791609 NGYFPVAPQUDQHY-UHFFFAOYSA-N 338.363 2.383 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)N=N1 2325892365 KXFBWYXQQPCDGR-JKSUJKDBSA-N 343.431 2.190 30 50 EEEA C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)N1CCOCC1 7759484 DUOOEYKWEBFILY-UHFFFAOYSA-N 342.399 2.485 30 50 EEEA Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)COc3ccccc3)C2)n1 253398230 QRGCXAKCOCSGHU-INIZCTEOSA-N 336.395 2.354 30 50 EEEA N#Cc1cccc(CN[C@H]2CCCN(c3ccccc3C(N)=O)C2)c1 363089778 MUZMNPHBALCBBF-KRWDZBQOSA-N 334.423 2.416 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1c1nc(-c2cccnc2)no1 215087528 SIKJUYGQDRMTAT-AWEZNQCLSA-N 348.366 2.319 30 50 EEEA N#Cc1cccnc1N1CCC(C(=O)O)(n2cnc3ccccc32)CC1 72459081 DNIQOAIDVCUQQX-UHFFFAOYSA-N 347.378 2.383 30 50 EEEA Cc1c([C@H](C)NC(=O)/C=C/CN(C)C)cnn1-c1ccc(C#N)cc1 1875375737 NVLCNLKKWZGGAN-GJBLVYBDSA-N 337.427 2.347 30 50 EEEA N#Cc1cnc(N[C@H]2CCCN(c3nccnc3O)C2)c(Cl)c1 275479521 IHFUHQFSUHNMMR-NSHDSACASA-N 330.779 2.183 30 50 EEEA C=CCn1c(COc2cccc(Cl)c2)nnc1SCC(N)=O 1068073 KYPJOMWOXYXPJM-UHFFFAOYSA-N 338.820 2.274 30 50 EEEA CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(F)cc(C(=O)O)c1 184910496 MGALCHHDIMCRMR-UHFFFAOYSA-N 348.355 2.216 30 50 EEEA Cc1nnc([C@]23CCC[C@H]2CN(C(=O)c2cc(C#N)[nH]c2C)C3)o1 952851812 WNJZRBZXSWSPNT-SJCJKPOMSA-N 325.372 2.080 30 50 EEEA C[C@H](NCc1ccnn1[C@H]1CC1(F)F)C(=O)Nc1ccccc1C#N 1875281104 PPLNHOTYVIZVIW-NHYWBVRUSA-N 345.353 2.452 30 50 EEEA CCN1C(=O)CC[C@H](CNc2cnccc2C#N)[C@H]1c1cnn(C)c1 888102682 FVQJBSGRFMFVCW-KDOFPFPSSA-N 338.415 2.098 30 50 EEEA C=CCCC(=O)N=c1nc([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]n1C 1775997404 DQBWTYZFVVDCDJ-GFCCVEGCSA-N 349.435 2.214 30 50 EEEA N#Cc1cc2c(nc1SCc1nnc3n1CCOC3)CCCC2 280558458 KBIGOKJHSIWLFA-UHFFFAOYSA-N 327.413 2.246 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@@](O)(c3ccc(C)nc3)C2)N=N1 2325900467 ZYKISKOUMBIXSS-KRWDZBQOSA-N 326.400 2.166 30 50 EEEA Cc1ccc(S(=O)(=O)[C@]23[C@@H]4[C@@H]5[C@H]6C[C@@H]([C@@H]52)[C@]25O[C@]62[C@H]4C[C@H]53)cc1 216457556 JEIWOWPLNLFESU-BLOOVCMMSA-N 326.417 2.191 30 50 EEEA CN(C)c1ccncc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 363886156 JMXKILSKGUTURS-SFHVURJKSA-N 336.395 2.233 30 50 EEEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(F)(F)F)n1 228984236 OAOGXGCVMBJOTM-UHFFFAOYSA-N 331.099 2.186 30 50 EEEA COCCN1CCC[C@]2(CCN(c3nc(C)c(C)cc3C#N)C2)C1=O 95361586 QPWPEPOABVRYNW-LJQANCHMSA-N 342.443 2.035 30 50 EEEA CCc1cc(C#N)ccc1NC(=O)N(C)C1CCS(=O)(=O)CC1 299784124 HVLFDOGSVFVDBT-UHFFFAOYSA-N 335.429 2.162 30 50 EEEA C#CCCC1(CCNC(=O)C[C@H]2C(=O)Nc3c(F)cccc32)N=N1 1875381572 ZSCDMYYJFNMUSG-GFCCVEGCSA-N 328.347 2.333 30 50 EEEA Cc1c(CN[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)c2ccccn2c1C#N 1875399866 LAANIVLTHWKGMP-XAUMDUMWSA-N 349.438 2.245 30 50 EEEA Cc1cc(C#N)cc(N[C@H]2CCN(c3cnnc(O)c3Cl)C2)n1 897432937 SHSZGHYAVZQKEY-NSHDSACASA-N 330.779 2.102 30 50 EEEA CCc1[nH]nc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1[N+](=O)[O-] 192904655 GFHNDEXEKAGRCZ-QGZVFWFLSA-N 339.355 2.061 30 50 EEEA CC1=C/C(=N\OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)=CC1=O 15856814 XGFXABCFSLSADL-FYWRMAATSA-N 336.325 2.131 30 50 EEEA C[C@@H](C1CC1)n1nccc1NC(=O)CNC(=O)c1ccc(C#N)cc1 154759952 RJLQOMHTBFJYOZ-LBPRGKRZSA-N 337.383 2.094 30 50 EEEA CN1C[C@@H](C(F)(F)F)[C@@H](C(=O)N(CCC#N)Cc2cccnc2)C1 2325771190 ATGRKDCQZUGLKR-UONOGXRCSA-N 340.349 2.064 30 50 EEEA COc1ccc(Cl)cc1CSc1nc(=O)n2ncc(C#N)c2[nH]1 2325863206 ABICDRGDGIJXOB-UHFFFAOYSA-N 347.787 2.244 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc([N+](=O)[O-])cc1 381136 QEXTVQZMDFSGFG-UKRRQHHQSA-N 346.339 2.058 30 50 EEEA C=CCOc1cccc(CN(CC)C(=O)[C@H]2CCCN2C(N)=O)c1 55392889 GPWNSCJTRGXEDV-MRXNPFEDSA-N 331.416 2.143 30 50 EEEA C=CC[C@@]1(CO)CCCN(C(=O)CCN2Cc3ccccc3C2=O)C1 91620614 JXBHSCHRDAGRFS-HXUWFJFHSA-N 342.439 2.210 30 50 EEEA NC(=S)C(=NNc1cccc(C(F)(F)F)c1)C(=O)N1CCCC1 254480040 DVYVGVUQPVXEAM-UHFFFAOYSA-N 344.362 2.382 30 50 EEEA Oc1ccc(/C=N/n2c(S)nnc2COc2ccccc2)c(O)c1 1755955 LEFKNTNPVQINPW-RQZCQDPDSA-N 342.380 2.439 30 50 EEEA C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O 4102247 RSQSQJNRHICNNH-NFMPGMCNSA-N 332.396 2.136 30 50 EEEA biogenic,in-vivo CC(C)(C[C@H]1CCCN(c2nc3c(cc2C#N)COCC3)C1)C(N)=O 450636829 OSSYXWAZNPGGGE-CYBMUJFWSA-N 342.443 2.144 30 50 EEEA CC(=O)N1C[C@@H](NC(=O)c2cccc(C#N)c2)CC[C@@H]1C(F)(F)F 886056828 JEMBQLKRSGKYHV-UONOGXRCSA-N 339.317 2.230 30 50 EEEA C#Cc1cccc(NC(=O)CN(C)c2ccc(S(C)(=O)=O)cc2)c1 170604227 JOBYTLPYYJDRBS-UHFFFAOYSA-N 342.420 2.146 30 50 EEEA C=CCCN1CCC(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CC1 408524152 YMMMIQFSRPWIRA-OAHLLOKOSA-N 337.464 2.153 30 50 EEEA C=CCNC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 17045952 INFYAFWRYSZXTN-UHFFFAOYSA-N 335.454 2.258 30 50 EEEA CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1cccc(C#N)c1 230252473 OARLPGDRBKALTH-QZTJIDSGSA-N 327.428 2.160 30 50 EEEA N#CCOc1ccccc1C(=O)N1CC[C@@H](OCc2ccncc2)C1 377743923 QHVOJVUQNYPVTH-MRXNPFEDSA-N 337.379 2.415 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)CC[C@@H]3CCOC3)CC2)c(F)c1 177058239 MHGHKBBECIENLN-CQSZACIVSA-N 331.391 2.163 30 50 EEEA N#Cc1cccc(N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 186330797 ZPKUGFYELQADIQ-UHFFFAOYSA-N 340.334 2.150 30 50 EEEA C=CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 2055067 DZJPXVALJSSBHR-UHFFFAOYSA-N 344.436 2.180 30 50 EEEA C=C(C)COc1c(I)cc(C(N)=O)cc1OC 6701717 OQYMMTZTYGIMOY-UHFFFAOYSA-N 347.152 2.354 30 50 EEEA C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 65388068 FVQAUAPIFVVXGA-MRXNPFEDSA-N 345.418 2.181 30 50 EEEA COc1nccc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1C#N 77487377 RDVLRRBIFMSQAN-LJQANCHMSA-N 340.427 2.333 30 50 EEEA C=C(C)COc1cccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)c1 220443793 QDHIAFJSDJSPRF-XMTFNYHQSA-N 330.428 2.089 30 50 EEEA C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1C(=O)Cc1ccsc1 82106363 VCHCRUISJSUCPW-CYBMUJFWSA-N 339.420 2.426 30 50 EEEA CCOc1ccc(NC(=O)NCCSc2nc(C)n[nH]2)cc1C#N 299775847 KJQSABLFGFOEMI-UHFFFAOYSA-N 346.416 2.297 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NC(C)(C)CN2CCCC2)cc1 584890573 YTKKZRROLCGYOE-UHFFFAOYSA-N 328.456 2.413 30 50 EEEA C=CCCC(=O)N[C@H]1CC[C@@H](n2cc(C(=O)N(CC)CC)nn2)CC1 244874738 XGJKLLYHZUWPLI-GASCZTMLSA-N 347.463 2.326 30 50 EEEA CN(C)Cc1cc(O[C@H]2CCN(C[C@H](C#N)CCC#N)C2)ccn1 886068634 DTJXBQNVGQFPJG-YJBOKZPZSA-N 327.432 2.040 30 50 EEEA N#Cc1cccc([C@H](O)CN2CCC(O)(Cc3ccccn3)CC2)c1 1434479259 SIVXJEFLYQKMSE-LJQANCHMSA-N 337.423 2.056 30 50 EEEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(O)cc1 4312019 KRLLOCBYYQXZLU-OAHLLOKOSA-N 343.335 2.210 30 50 EEEA biogenic C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1)C(C)C 6493062 DYIBUAQFTFNFQA-MQMKENTISA-N 346.456 2.312 30 50 EEEA CCCS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2C#N)C1 67714476 RVZKTWJMGSUSFI-OAHLLOKOSA-N 335.473 2.100 30 50 EEEA Cc1nc(C(=O)NC2CCN(c3ncccc3C#N)CC2)cs1 65403291 NSCVDHCXUPBJRX-UHFFFAOYSA-N 327.413 2.117 30 50 EEEA N#CC1(NC(=O)[C@H]2C[C@]23CCOC3)CCN(Cc2ccccc2)CC1 332893220 JZGNUKISMQHNNO-MJGOQNOKSA-N 339.439 2.088 30 50 EEEA N#Cc1cccc(C(=O)N2CCCO[C@@H](CN3CCCCC3)C2)c1 670454878 MEGMVLSGMXXODO-SFHVURJKSA-N 327.428 2.275 30 50 EEEA C=C(C)Cn1c([C@H](C)c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1357219899 MENPOOCOYJCSTN-QLFBSQMISA-N 344.463 2.353 30 50 EEEA C#CCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1140266 UUAQICBBSJUKLL-UKTHLTGXSA-N 333.365 2.382 30 50 EEEA C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 12421452 IAFFRPSKIJMCEA-MOPGFXCFSA-N 334.435 2.127 30 50 EEEA N#Cc1cccnc1NCCOC(=O)c1cccc2c1CCC(=O)N2 2325853943 IUODIRGJCQFIDL-UHFFFAOYSA-N 336.351 2.107 30 50 EEEA C=CCc1cc(C(=O)NCC2(CN3CCOCC3)CC2)ccc1OC 426661970 GNTLEJHHZCIPLR-UHFFFAOYSA-N 344.455 2.266 30 50 EEEA C=CCNC1CCN(c2ccc(C(=O)N3CCC[C@H](O)C3)cc2)CC1 11787406 LRHFKJULWFDPKV-IBGZPJMESA-N 343.471 2.028 30 50 EEEA COC(=O)[C@@H]1C(=O)/C(=C\NCCc2ccccc2)C(=O)CC1(C)C 102408542 OCLUNMZKXQGIFE-HECSCLNYSA-N 329.396 2.060 30 50 EEEA COc1cnc(N=C(O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2OC)s1 329232717 GFSOJGPIOBLJEX-UTUOFQBUSA-N 341.433 2.213 30 50 EEEA C[C@@H]1CCCN(c2cc(/C(O)=N/[C@@H]3CCC(O)=NC3=O)ccn2)C1 329621530 MZUYJQZTKLECTQ-DGCLKSJQSA-N 330.388 2.268 30 50 EEEA CC(=O)c1cn(CC(=O)NC2(C#N)CCC(C(C)(C)C)CC2)nn1 331293770 CBNXURGYWWYCHT-UHFFFAOYSA-N 331.420 2.096 30 50 EEEA CC(C)[C@](C)(C#N)NC(=O)CN(CCO)[C@H]1CCCc2ccccc21 246397050 QAXPVIXJVNVCKE-ICSRJNTNSA-N 343.471 2.413 30 50 EEEA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2cccc(CC#N)c2)C1 286334490 JWXFNXDRHVLRBL-ROUUACIJSA-N 327.428 2.078 30 50 EEEA N#Cc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1 20027048 FGMVFRHCACIVBU-UHFFFAOYSA-N 334.423 2.315 30 50 EEEA CC(=O)C1=C(O)[C@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c(O)c12 135467 ICTZCAHDGHPRQR-GOSISDBHSA-N 344.319 2.127 30 50 EEEA biogenic C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1CCOc1ccccc1C#N 284716638 HJMPNRZIXFSBLK-LMMKCTJWSA-N 330.428 2.189 30 50 EEEA C[C@H](CC#N)NS(=O)(=O)Cc1ccc(F)cc1Br 863983487 QVYGCIQXPWJILV-MRVPVSSYSA-N 335.198 2.310 30 50 EEEA N#C[C@@H](c1ccccc1)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 2325852425 FGTWNBSPJYUFQE-INIZCTEOSA-N 336.395 2.273 30 50 EEEA Cc1nnsc1C/N=C(/O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 330222256 MFVAQYQVOMSIJD-GXTWGEPZSA-N 335.477 2.209 30 50 EEEA C[C@H](O)CN1CC2(CCC1=O)CCN(Cc1ccc(C#N)cc1)CC2 91951268 ZCMNZKIAGDXGHJ-INIZCTEOSA-N 341.455 2.144 30 50 EEEA Cc1ccc(C#N)cc1C(=O)N1CCS(=O)(=O)c2ccsc21 1875361037 PBQCURMXQUIFHW-UHFFFAOYSA-N 332.406 2.362 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)N=N1 952882440 QTVJDNXSRPCXPK-YESZJQIVSA-N 346.475 2.442 30 50 EEEA N#CCCOCCN1CCC(c2nccc(-c3cncnc3)n2)CC1 952892496 OBNOGFOTJRTCFB-UHFFFAOYSA-N 338.415 2.043 30 50 EEEA C[C@H](NC(=O)c1cnc(O)c([N+](=O)[O-])c1)c1ccc(C#N)cc1F 408514868 GYMVHGFXXJPUGV-QMMMGPOBSA-N 330.275 2.197 30 50 EEEA C#CCOc1ccc(N(C)C(=O)c2c(N)cccc2[N+](=O)[O-])cc1 195555706 DPFZLVKWRGZYFQ-UHFFFAOYSA-N 325.324 2.466 30 50 EEEA COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccccc1 4372722 MMHXUOAOLIOFFQ-VCHYOVAHSA-N 329.381 2.082 30 50 EEEA N#Cc1ccccc1CN1CCC[C@@H]1C(=O)NCC1CCOCC1 374374321 WALDLWHEBITVOQ-GOSISDBHSA-N 327.428 2.065 30 50 EEEA C#Cc1cccc(NC(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)c1 924835890 NFFJULOLQPTQOT-UHFFFAOYSA-N 340.383 2.007 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)N=N1 2325892441 NQQPJUFMYYYQMC-GOEBONIOSA-N 342.443 2.344 30 50 EEEA CO[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 225711887 QYLAWDOHDQAYNQ-GHMZBOCLSA-N 348.346 2.423 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ccnc(C3CC3)n2)C1 328608831 BJWWIQLQAVVIFP-INIZCTEOSA-N 328.376 2.127 30 50 EEEA O/C(=N/[C@H]1CCCc2c[nH]nc21)N1CCN(c2ccc(F)cn2)CC1 329388666 QRPHSOBGTSRISS-AWEZNQCLSA-N 344.394 2.057 30 50 EEEA OC1CN(CC#Cc2ccccc2)CCN(CC#Cc2ccccc2)C1 253428801 FCEXCERRPNHCSO-UHFFFAOYSA-N 344.458 2.068 30 50 EEEA N#Cc1c2c(cn(C[C@@H]3CCN(C(=O)c4ccccc4)C3)c1=O)CCC2 242273439 YCQIIHMJIUXXPU-OAHLLOKOSA-N 347.418 2.371 30 50 EEEA CC1(C)OB(c2cccc(S(=O)(=O)C(F)(F)F)c2)OC1(C)C 694980160 LQUXYPJXNRMQPN-UHFFFAOYSA-N 336.140 2.279 30 50 EEEA O=C(CSC(F)(F)C(F)(F)C(F)(F)F)N1CCOCC1 1792937 VHMKXQSHZBKFTC-UHFFFAOYSA-N 329.237 2.369 30 50 EEEA C=C1CCN([C@H](C)[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 6494252 NFEZZTICAUWDHU-KDOFPFPSSA-N 348.397 2.485 30 50 EEEA COc1cc([C@H](C#N)NC(=O)[C@]2(C)CC2(F)F)cc(OC)c1OC 421504163 ZIKQZQOLQBTABI-BONVTDFDSA-N 340.326 2.439 30 50 EEEA CCn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CCC3)n1 2782575 QSLKVGKXHILEKG-UHFFFAOYSA-N 331.357 2.485 30 50 EEEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1c(C)nn(C)c1C 5593701 QCQDPITVLGBTDK-QGZVFWFLSA-N 329.400 2.178 30 50 EEEA CCOC(C#CCN1CCC(NC(=O)c2ccccc2)CC1)OCC 71770904 TZLRHEJWKZLWPE-UHFFFAOYSA-N 344.455 2.283 30 50 EEEA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc(C#N)cc1 286703090 FTIILNFRYUZIEZ-FGTMMUONSA-N 328.412 2.143 30 50 EEEA C=C1C[C@H]1C(=O)NCc1ccc(-n2cc(C(C)(C)OC)nn2)cc1 1875323637 NRKJWPUDRDJSAH-OAHLLOKOSA-N 326.400 2.341 30 50 EEEA CC(=O)N1C[C@@H](Nc2nnc(C)c(C)c2C#N)CC[C@H]1C(F)(F)F 886097347 VLVFUWKPHRQUDP-AAEUAGOBSA-N 341.337 2.319 30 50 EEEA CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccccc1-n1ncc(C#N)c1N 408522301 HCTJSXVSYROKBT-XJKSGUPXSA-N 339.399 2.326 30 50 EEEA Cc1cc(C)nc(/N=C2\NCCN2C(=S)Nc2ccccc2)n1 1264646 RLGBLDFQCLCRLB-UHFFFAOYSA-N 326.429 2.383 30 50 EEEA CCc1c(C#N)c(N)nc(S[C@H](C(N)=O)c2ccccc2)c1C#N 19867707 FGQIKVMUUPNDOL-AWEZNQCLSA-N 337.408 2.288 30 50 EEEA Cc1ncc2c(n1)[C@@]1(CCCN(C(=O)c3ccc(C#N)nc3)C1)CC2 2356156182 VLGWAQQLKIEIMB-IBGZPJMESA-N 333.395 2.172 30 50 EEEA CN(c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1)S(C)(=O)=O 2843745 XJWOGSFLVCAPFK-UHFFFAOYSA-N 343.408 2.401 30 50 EEEA C=C(C)COc1ccccc1C(=O)N(C)C[C@H](C)N1CCOCC1 55054401 LMELDZHWTFNCOI-INIZCTEOSA-N 332.444 2.434 30 50 EEEA CN/C(=N/[C@H](C)[C@@H]1CCCO1)NC[C@H](c1ccco1)N1CCCC1 241287440 LLFGCWIAQKMOAO-OAGGEKHMSA-N 334.464 2.149 30 50 EEEA CCn1ncc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ncnn32)c1C 20607889 VXGXOORHXWQZJY-OAHLLOKOSA-N 326.404 2.461 30 50 EEEA C#CCCC1(CCC(=O)NC[C@@H]2CN(c3ccccc3)C(=O)O2)N=N1 1875382316 XTGAVDMBSJGAIY-OAHLLOKOSA-N 340.383 2.484 30 50 EEEA CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)/N=C1/NCCS1 187635 CUWODHBBPBKZFO-GFCCVEGCSA-N 339.848 2.313 30 50 EEEA Cc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 436812 QXZBAFPRLJEXAA-MDWZMJQESA-N 325.371 2.277 30 50 EEEA CC(=O)C1=C(C)OC(=O)[C@]1(NC(=O)c1ccc(C)cc1)C(F)(F)F 2471679 JNADRNQPTMRGAE-HNNXBMFYSA-N 341.285 2.446 30 50 EEEA N#Cc1ccc(OC2CN(CCS(=O)(=O)c3ccccc3)C2)cc1 158565619 YPYQCEYVEULTHM-UHFFFAOYSA-N 342.420 2.095 30 50 EEEA COCC[C@]1(O)CCN(c2nc3c(cc2C#N)CCCC3)C[C@H]1C 92001611 GPYSCQLETHYSDC-AUUYWEPGSA-N 329.444 2.446 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N(CCO)[C@H]1CCc2ccccc21 269764681 KOYGZWPUJFLVIF-KRWDZBQOSA-N 342.420 2.229 30 50 EEEA C[C@H](O)[C@H]1C[C@H](C)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 225405442 PLBMBTYZDNFWGL-JRPNMDOOSA-N 342.848 2.382 30 50 EEEA CC[C@H](C)[C@H](C(=O)O)N(C)S(=O)(=O)c1cc(Cl)ccc1C#N 776715768 CHRGKTXMEGJFHN-TVQRCGJNSA-N 344.820 2.331 30 50 EEEA C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C 822218744 SDBITTRHSROXCY-UISQRTOZSA-N 334.456 2.233 30 50 EEEA biogenic O/C(=N/C[C@@H]1C[C@H](F)CN1Cc1nccs1)NCc1ccco1 328654163 XGVQZRLKHVPPBZ-RYUDHWBXSA-N 338.408 2.352 30 50 EEEA C=C(CC)Cn1cc(-c2csc(N3CCN(C(C)=O)CC3)n2)nn1 887528736 BDXZMEYKSULQDY-UHFFFAOYSA-N 346.460 2.036 30 50 EEEA N#Cc1ccnc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)c1 348261675 PZOMZJCWEUFDIC-MLGOLLRUSA-N 329.306 2.180 30 50 EEEA N#Cc1cnn2c(=O)nc(S[C@@H]3CCc4c(F)cc(F)cc43)[nH]c12 2325873831 VRVRJHVINGEYBC-GFCCVEGCSA-N 345.334 2.347 30 50 EEEA C=C(C)COc1ccccc1CN1CCN(C(=O)[C@H]2CCCO2)CC1 55107534 VLEGXTOTDGWTHN-LJQANCHMSA-N 344.455 2.465 30 50 EEEA C=C(C)C[C@@H]1N(c2ccccc2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 485691 IDZVBZRLNMBRMS-PPLBCVRQSA-N 325.364 2.392 30 50 EEEA biogenic Cc1nnc(N2C[C@@H](F)C[C@H]2C/N=C(/O)c2cccc(C#N)c2)o1 328625112 CTBBMPXSFJIFPK-KBPBESRZSA-N 329.335 2.171 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2nc(C)cc(C)c2C#N)C1 328611054 KEAPWKYYMBCHAA-QGZVFWFLSA-N 340.387 2.344 30 50 EEEA O=S(=O)(N/N=C\c1cccc(O)c1O)c1ccc(Cl)cc1 17066888 YGKRKCJORIFHQT-NVNXTCNLSA-N 326.761 2.064 30 50 EEEA N#Cc1ccc(N2CCN(C(=O)[C@H]3CC34CCOCC4)CC2)c(F)c1 377979820 VARNXMUXIYHUCQ-OAHLLOKOSA-N 343.402 2.163 30 50 EEEA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ccccc1C#N 221279183 RENPBRKJIRONQQ-CQSZACIVSA-N 325.412 2.421 30 50 EEEA N#Cc1ccc(C(=O)N2CCC(CCN3CCCC3=O)CC2)cc1 82109274 VMCZEWWYJBVQBK-UHFFFAOYSA-N 325.412 2.423 30 50 EEEA C=CCN(CC(=O)N1C[C@H](C)O[C@H](C)C1)Cc1ccccc1OC 1529120639 HCAXTHMGZJVTAB-IYBDPMFKSA-N 332.444 2.319 30 50 EEEA C=CCn1c(CNS(=O)(=O)c2ccc(Cl)cc2)n[nH]c1=S 5624817 JPGQMTMMYDODMD-UHFFFAOYSA-N 344.849 2.259 30 50 EEEA N#Cc1cnc(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 128686228 IACUCSYSEYHDHA-ZDUSSCGKSA-N 331.738 2.358 30 50 EEEA C#CCCC1(CCC(=O)N2CCC([C@H](O)c3nccn3C)CC2)N=N1 2325892197 DPJNVUORGGRWTF-INIZCTEOSA-N 343.431 2.048 30 50 EEEA COc1cc([C@H]2NC(=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC 67204 SIKIJTRPERTCRJ-MRXNPFEDSA-N 346.383 2.416 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](c2ccccc2)[C@H](O)C1 2356159909 VJEWXDOZAPOKKS-DLBZAZTESA-N 342.420 2.097 30 50 EEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)[C@H]2COc3ccccc32)C1 328655029 XZBOOAOBYPRPPT-XUJLQICISA-N 344.411 2.447 30 50 EEEA C[C@@H](C1CCN(C(=O)c2cccc(C#N)c2)CC1)N1CCOCC1 72418263 DYLCKIHRHZZKFF-HNNXBMFYSA-N 327.428 2.131 30 50 EEEA CCN(CCOC)C(=O)c1ccc(-c2cnc3c(C#N)cnn3c2)cc1 534665474 TUPRVXJMNVMWPH-UHFFFAOYSA-N 349.394 2.376 30 50 EEEA N#CCCOCCN1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1 952891575 GLVCOUJVYSVXLR-AWEZNQCLSA-N 344.337 2.383 30 50 EEEA C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 305869729 NZEDSSDZSQVECF-GWCFXTLKSA-N 328.821 2.136 30 50 EEEA COC(=O)c1cc(O)c2c(F)ccc(B3OC(C)(C)C(C)(C)O3)c2n1 170004766 RFNHWYLCSUWYON-UHFFFAOYSA-N 347.151 2.165 30 50 EEEA N#C[C@H]1CN(Cc2ccnn2-c2ccc(F)cc2)CCN1C1CC1 366256232 UEONEBRQHSOZKC-SFHVURJKSA-N 325.391 2.184 30 50 EEEA N#CC1(c2ccccn2)CCN(S(=O)(=O)N2CCCCCC2)CC1 374458123 YJDQRBPVBZJLFC-UHFFFAOYSA-N 348.472 2.060 30 50 EEEA Cc1nccn1CCCNC(=O)c1cccc(C#CC(C)(C)O)c1 215681842 DBPYTBFHJIFJHL-UHFFFAOYSA-N 325.412 2.134 30 50 EEEA C=CCC(O)(CC=C)[C@H](C)NC(=O)c1ccc(-n2cnnc2)cc1 670459827 MKMBHYTUYBMLNG-AWEZNQCLSA-N 326.400 2.269 30 50 EEEA CN(Cc1ccccn1)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 275530727 CCJDYWBSEKAGNL-SFHVURJKSA-N 337.427 2.408 30 50 EEEA Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n[nH]1 278452250 QYIAXNUKJUJWSR-UHFFFAOYSA-N 329.791 2.206 30 50 EEEA N#Cc1ccccc1CSCCNC(=O)N1[C@H]2CC[C@H]1CC(O)C2 171898828 LFMLMBSIKHEAED-HOTGVXAUSA-N 345.468 2.489 30 50 EEEA Cc1nn(-c2ccncc2)n(/N=C/c2c(O)ccc3ccccc23)c1=O 5570456 OCVDSJBKLQXKDF-CIAFOILYSA-N 345.362 2.478 30 50 EEEA CC(C)[C@H](C#N)N1CCN(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 252475291 XPTYOSRZUXATPG-SPOLIRPYSA-N 346.519 2.093 30 50 EEEA C=CCN1CCN(C(=O)c2cc3cc(Cl)ccc3oc2=O)CC1 55562761 MULPMJMQHLEGRY-UHFFFAOYSA-N 332.787 2.390 30 50 EEEA OC(=Nc1ccn2ccnc2c1)N[C@H]1CCOC2(CCOCC2)C1 329505712 IRWKVDBMUZOEET-AWEZNQCLSA-N 330.388 2.198 30 50 EEEA COC(=O)c1ccccc1OC/C(N)=N/Nc1cccc(Cl)n1 5210011 QEYPZAUPNZKEMU-UHFFFAOYSA-N 334.763 2.285 30 50 EEEA COCCc1nc(C2(C#N)CCOCC2)n(-c2ccc(F)cc2F)n1 96140337 RKDDUXLWHGSQBY-UHFFFAOYSA-N 348.353 2.306 30 50 EEEA C[C@@H]1C[C@@H](CN=c2[nH]c3ccccc3cc2C#N)CN1C(=O)C(F)F 1875337569 YJXQEQDGUHPKHY-NEPJUHHUSA-N 344.365 2.442 30 50 EEEA O=C(N[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1)[C@H]1CO1 1875372414 FSQATRZDETZCET-CXAGYDPISA-N 338.363 2.099 30 50 EEEA CCOc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1ccccc1 478796 ZCSYHZADYDKHSY-YBFXNURJSA-N 343.408 2.472 30 50 EEEA NC(=S)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210124 PZPBDGCKOZXAGN-GGNBMFIYSA-N 325.393 2.473 30 50 EEEA C=CCN1C(=O)/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)SC1=S 16156137 ROMIAJWCNVEQOE-LCYFTJDESA-N 345.449 2.264 30 50 EEEA Cc1ncc2c(c1C#N)CCN(C(=O)c1nc3ccccn3c1C)C2 1857735926 JVPWDYIAOMEPCR-UHFFFAOYSA-N 331.379 2.416 30 50 EEEA Cn1nccc1[C@@H]1OCC[C@H]1C(O)=Nc1ccc2oc(=O)n(C)c2c1 328624062 JPXMYCUANWKJIP-IAQYHMDHSA-N 342.355 2.231 30 50 EEEA C[C@H]1C[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CO1 332214200 VVEZSMXOYXRKFR-JQWIXIFHSA-N 330.775 2.761 30 50 EEEA N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCC(F)(F)C2)CC1 332534784 INBIFCFPUMCUMG-AWEZNQCLSA-N 349.385 2.363 30 50 EEEA COc1nccc(N2C[C@@H]3CC[C@H](C2)C(=O)N3CC=C(C)C)c1C#N 248271607 QGGHZJXJWVYRAC-CABCVRRESA-N 340.427 2.355 30 50 EEEA Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2cc(C#N)cs2)cn1 328632550 LKBWYXXOEJWQIG-GJZGRUSLSA-N 333.436 2.055 30 50 EEEA C=C(C)COc1c(CN2CC[C@H](O)C[C@@H]2C(=O)O)cccc1OC 65460229 LOOHIECTSUFDBQ-LSDHHAIUSA-N 335.400 2.060 30 50 EEEA Cc1cc(C)c(C#N)c(N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)n1 284505572 KRUBXSFTFQPSBH-OAHLLOKOSA-N 338.415 2.324 30 50 EEEA C=C(C)COc1ccc(C(=O)NC[C@H]2CCN(CCOC)C2)cc1 55108714 XRCRIQHNFQPLPH-MRXNPFEDSA-N 332.444 2.340 30 50 EEEA Cn1cncc1[C@@H]1C[C@@H](/N=C(/O)c2ccn3cncc3c2)CCO1 328642828 YNKSJCRFXNUTOV-BBRMVZONSA-N 325.372 2.293 30 50 EEEA N#C[C@@H]1COCCN1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 366002198 BKIRUDLYBYYKBR-CYBMUJFWSA-N 346.774 2.074 30 50 EEEA N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 370471453 UJXUNKAMQNEFLS-KXPUMZMLSA-N 333.395 2.350 30 50 EEEA C#CCN(C)S(=O)(=O)[C@H]1C[C@@H]1c1ccccc1Br 1875362625 NIKIKDCNXZTTGW-YPMHNXCESA-N 328.231 2.200 30 50 EEEA C=CCn1c(C)cc(C(=O)CN2c3ccccc3C[C@H]2C(N)=O)c1C 170652538 QOKKWUNUXANEJV-SFHVURJKSA-N 337.423 2.390 30 50 EEEA C#CCCC1(CCC(=O)N=c2ccn(CCCN3CCCC3)[nH]2)N=N1 2325892715 YOXPFFHBSFJQCJ-UHFFFAOYSA-N 342.447 2.085 30 50 EEEA C=C(C)CN1CCC(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 121873878 ZPMKGRLDKAMYCX-VQIMIIECSA-N 335.492 2.364 30 50 EEEA C[C@](C#N)(NC(=O)CN1CCC[C@H]1COc1ccccc1)C1CC1 252477178 JQZHPILZXPSPNG-QFBILLFUSA-N 327.428 2.338 30 50 EEEA CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](C)C2)[C@H]1c1cccnc1 384254 VYKBVAGHTAOYHO-IINYFYTJSA-N 328.368 2.182 30 50 EEEA Cc1nc(O)c(C#N)cc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 71750460 TXDDAKQVUXYOCA-INIZCTEOSA-N 337.379 2.051 30 50 EEEA N#Cc1c(N2CCC3(CC2)C[C@@H]3C(=O)N2CCCC2)nc2ccccn12 375845580 YVIWPUKJXWWJSG-OAHLLOKOSA-N 349.438 2.435 30 50 EEEA N#Cc1ccc(OC2CCN(C(=O)C[C@H]3CCOC3)CC2)c(F)c1 375808869 RUTODXZMXTVPML-CQSZACIVSA-N 332.375 2.494 30 50 EEEA C#CCCC1(CCC(=O)Nc2cnn(C3CCN(C)CC3)c2)N=N1 952879658 GIEKZDWXSOHXFB-UHFFFAOYSA-N 328.420 2.444 30 50 EEEA C/N=C(/[C@@H](C#N)c1nnc(C)n1C)N(C)CCOc1ccccc1C 225504612 FTQGXFTZMHPPAR-JXLCAQNNSA-N 340.431 2.078 30 50 EEEA CC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)ccc1O 291405 QOAPTLVPELBKDD-GFCCVEGCSA-N 325.162 2.372 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NC[C@H]2OCCc3ccccc32)o1 65430824 VDIKSVPQXUHMNH-GOSISDBHSA-N 339.391 2.446 30 50 EEEA CC(C)C[C@H]1COCCN1C(=O)NCCOc1ccc(C#N)cc1 173790903 ANQUTSFLGQSZHB-INIZCTEOSA-N 331.416 2.394 30 50 EEEA COCCN(CCOC)C(=O)c1cccc(-c2cccc(C#N)n2)c1 426621728 NFOWRNFHVBGPGX-UHFFFAOYSA-N 339.395 2.355 30 50 EEEA O=C(O)[C@@H]1CN(Cc2cc(C#CCO)cs2)C[C@H]1c1ccccc1 91747019 KWNSDMSOGWULOD-ZWKOTPCHSA-N 341.432 2.392 30 50 EEEA C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)[C@H]1OCCc2sccc21 294862415 ONDPDUGMRWKDBW-AMIZOPFISA-N 327.369 2.103 30 50 EEEA CO[C@@H]1C[C@H](c2nc(C)no2)N(c2snc(Cl)c2C#N)C1 189960973 ZYYIUAULDZBEGM-VXNVDRBHSA-N 325.781 2.326 30 50 EEEA CC1(C)CN(C(=O)CCc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 366524152 VLGYHDYAZMMNKA-LJQANCHMSA-N 328.412 2.287 30 50 EEEA CC1(C)OB(c2cncc(C(=O)NC3CCCCC3)c2)OC1(C)C 170006897 MTRSRBJJNQMGIJ-UHFFFAOYSA-N 330.237 2.443 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2nc(C)cc(C)c2C#N)C1 328611051 KEAPWKYYMBCHAA-KRWDZBQOSA-N 340.387 2.344 30 50 EEEA CCC(CC)[C@H](/C(O)=N/[C@H]1CCc2c[nH]nc2C1)N1CCOCC1 329834599 GZGYBIHNTMCDDZ-DOTOQJQBSA-N 334.464 2.361 30 50 EEEA Cc1nc2ccc(Br)cn2c1/C(O)=N/[C@@H]1[C@H]2COC[C@H]21 330118687 YUUHQYDINKKAHH-IAZYJMLFSA-N 336.189 2.355 30 50 EEEA COc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(C)o2)c(OC)c1 17070980 ZJVLWCFIJQXZPX-WJDWOHSUSA-N 338.385 2.308 30 50 EEEA C=CC[C@]1(CO)CCCN(S(=O)(=O)c2cccc(OC)c2)C1 92098863 UUZGEFSPFQYNDH-INIZCTEOSA-N 325.430 2.035 30 50 EEEA C=C(C)CNC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 408519604 CYKHHNRKOTUOJP-UHFFFAOYSA-N 329.368 2.454 30 50 EEEA C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCO[C@@H](c2nccs2)C1 222209864 OLNJNJGDSIMNMI-UONOGXRCSA-N 348.472 2.248 30 50 EEEA CC/N=C(/O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(CCO)C1 328606097 QLJFNEOUANQDBA-HNNXBMFYSA-N 342.443 2.369 30 50 EEEA Cc1nscc1/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 328624563 CNHOTXNKPWCPBL-STQMWFEESA-N 337.424 2.102 30 50 EEEA Cc1ccc(F)c(CN2CCN(c3nccnc3C#N)CC2)c1F 65433985 XAKGRLFMJXUCTK-UHFFFAOYSA-N 329.354 2.257 30 50 EEEA CCC(O)=Nc1ccccc1C(=O)N1CCN(C(=O)N(C)C)CC1 328593981 FVIVUTWWNTYAFD-UHFFFAOYSA-N 332.404 2.124 30 50 EEEA N#C[C@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@@H]1c1ccccc1 226075413 SJQSKMOFIMXZTC-HUUCEWRRSA-N 329.363 2.488 30 50 EEEA CN1CCCCC[C@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 95381040 RKXOZHCBTUHPQI-SFHVURJKSA-N 326.444 2.081 30 50 EEEA N#Cc1ccc(-n2ccc(=NC(=O)[C@@H]3CC(=O)C34CCC4)[nH]2)c(F)c1 1875315635 BWJUSKOFAWUIAA-LBPRGKRZSA-N 338.342 2.003 30 50 EEEA N#Cc1ccc(N2C[C@H](c3nc(Cc4ccno4)no3)CC2=O)cc1 1875260135 MQMOJGLNQUAOQA-GFCCVEGCSA-N 335.323 2.041 30 50 EEEA N#Cc1cc(N2CCC[C@@H](c3ncc(Br)cn3)C2)ncn1 1363161247 ZEZXCQZAVYWXDI-SNVBAGLBSA-N 345.204 2.285 30 50 EEEA CN1Cc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc2NC1=O 187064325 AMTCJVMXGWHWAM-UHFFFAOYSA-N 342.380 2.336 30 50 EEEA COCc1cccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 4532752 DACKQEPLZGTUDB-OVCLIPMQSA-N 331.288 2.490 30 50 EEEA Cc1ccc2nc(CN3CCN(c4nccnc4C#N)CC3)[nH]c2c1C 67713095 LGLOWDWAFXDZDH-UHFFFAOYSA-N 347.426 2.164 30 50 EEEA N#Cc1ccnc(N2CCc3nnc(CCc4ccccc4)n3CC2)c1 67650602 LTCWJGSQGXZUIR-UHFFFAOYSA-N 344.422 2.393 30 50 EEEA Cc1nnc(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C#N)c1C 328627304 MPMVLTDCMUFPSS-WMZOPIPTSA-N 336.443 2.489 30 50 EEEA Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2ccc(C#N)cc2)on1 342993543 LXUZSNPCGVPLSE-HOTGVXAUSA-N 342.374 2.197 30 50 EEEA COCCCN1CC[C@@H](CNC(=O)Nc2ccc(C#N)cc2F)C1 96151132 KWBISRIAFYMTLD-AWEZNQCLSA-N 334.395 2.177 30 50 EEEA C[C@@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 237435752 RZXDXYMFUIHLHH-MWLCHTKSSA-N 347.362 2.077 30 50 EEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1ccc([N+](=O)[O-])s1 244701257 KCZFLFYOLLDLKV-LRYQHZMXSA-N 343.364 2.043 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)N=N1 952880472 GKICIFUHALOBAP-HRCADAONSA-N 330.432 2.105 30 50 EEEA CCc1cc(S(=O)(=O)NCc2ccnc(C#N)c2)c(C)cc1OC 1364979787 FDGWNTGHZUUGME-UHFFFAOYSA-N 345.424 2.311 30 50 EEEA Cn1nccc1[C@@H]1OCC[C@H]1/C(O)=N/[C@H]1COc2ccccc2C1 328618259 DMWUFCISHMJYDL-CKEIUWERSA-N 327.384 2.458 30 50 EEEA N#Cc1ccc([C@H](N[C@@H](CO)c2ccc(Cl)cc2)C(N)=O)cc1 351949504 PYJRQIDQCZYDOJ-HOTGVXAUSA-N 329.787 2.061 30 50 EEEA CSc1ncc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)cn1 71776549 ULKSMCIHTKXNAK-UHFFFAOYSA-N 337.412 2.423 30 50 EEEA CC(C)(O)C#Cc1cccc(C(=O)NCc2ccc3nc(O)[nH]c3c2)c1 828172155 BBNDNKFSLIVIPC-UHFFFAOYSA-N 349.390 2.321 30 50 EEEA C#CC[C@@H](NC(=O)/C=C/c1csc(C(F)(F)F)c1)C(=O)OC 861950818 LAVKFEHWWNTMPT-BRAIEQGRSA-N 331.315 2.461 30 50 EEEA CC(C)c1ccn(C2(C(=O)O)CCN(c3cccc(C#N)n3)CC2)n1 72469571 YXXNYCKXQGLVTQ-UHFFFAOYSA-N 339.399 2.353 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1CCCN(Cc2ccccc2F)CC1 81728815 PKIBRVQLIVLFBY-UHFFFAOYSA-N 340.402 2.384 30 50 EEEA N#Cc1ccccc1CN1CCC[C@]2(CCC(=O)N(CCCO)C2)C1 82167322 YMMDVFSZZWBZAT-FQEVSTJZSA-N 341.455 2.145 30 50 EEEA C=CCN(CC=C)C(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 12379628 OUXKPDIGWVAZJM-HNNXBMFYSA-N 341.411 2.199 30 50 EEEA Cc1ccc(C2(O)CCN(Cc3cc(C#CCO)cs3)CC2)nc1 67740532 NNCVAZMLZHUFAQ-UHFFFAOYSA-N 342.464 2.279 30 50 EEEA C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1cc(O)cc(O)c1 17068811 IXURDLPHAHSVPY-ATVHPVEESA-N 334.397 2.417 30 50 EEEA CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H]1[C@H]1CCCO1 292457900 YONWRTOQJSKWSB-HUUCEWRRSA-N 338.404 2.275 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](N)c1ccccc1)CC2 91391150 GVIVHKQFYCTHRX-GOSISDBHSA-N 341.455 2.104 30 50 EEEA N#Cc1ccc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)cn1 952847966 BZCAFHXURZMHNM-CVEARBPZSA-N 348.410 2.215 30 50 EEEA C=CCCO[C@@H](C)C(=O)N1CC(C)(c2nnc(-c3ccccn3)o2)C1 952891232 CGRNRGLGSCCTDU-ZDUSSCGKSA-N 342.399 2.213 30 50 EEEA N#Cc1ccnc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)c1 225803993 CZQXSFZTNZTJIW-CQSZACIVSA-N 332.367 2.016 30 50 EEEA CN(C)c1ncccc1C/N=C(/O)N1CCC(c2cnc[nH]2)CC1 328588449 PKVYQGPIYXBEBP-UHFFFAOYSA-N 328.420 2.164 30 50 EEEA C[C@@H]1CN(C(=O)c2cc(F)cc(C#N)c2)CC[C@@]1(O)C1CCOCC1 91713288 YNTSMZOLOARDMO-YJYMSZOUSA-N 346.402 2.337 30 50 EEEA N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ccncc3)CC2)cn1 1875368688 KXALMDKHBSLULV-CQSZACIVSA-N 342.424 2.307 30 50 EEEA CCN1CC[C@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)[C@@H](C)C1 221941584 MZYIPFIHXAZHTL-YJBOKZPZSA-N 344.459 2.309 30 50 EEEA Cc1ccc([C@H](C)/N=C(/O)N2CC[C@@H](S(C)(=O)=O)C2)cc1F 330389481 NXUUXERVKSTBLC-WCQYABFASA-N 328.409 2.228 30 50 EEEA N#Cc1ccc([C@@H](N[C@@H](CO)c2ccc(Cl)cc2)C(N)=O)cc1 351949506 PYJRQIDQCZYDOJ-JKSUJKDBSA-N 329.787 2.061 30 50 EEEA CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1F 20080698 VLXONQXPWWLGHO-INIZCTEOSA-N 334.391 2.452 30 50 EEEA N#C[C@H](CCc1ccccc1)C(=O)Nc1cnn(-c2ncccn2)c1 433343710 OCLBJJADEBMUBC-HNNXBMFYSA-N 332.367 2.373 30 50 EEEA COc1ccc(C(=O)CN2C=C/C(=C3/C=CC=[S+]3)N=C2)cc1OC 328579826 AUASQXFQXHOCTO-NBVRZTHBSA-N 341.412 2.410 30 50 EEEA C#CC[C@@H](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 408513797 HBUOIVKVMXMTSI-HNNXBMFYSA-N 342.420 2.470 30 50 EEEA O=C1C[C@H](Cn2ccnc2-c2ccc(C#CCCO)cc2)CN1C1CC1 1857710936 BVGQRNWWNGCCKP-QGZVFWFLSA-N 349.434 2.295 30 50 EEEA C[C@@H](c1cccc(C#N)c1)N1CCN(c2ncnc(N)c2Cl)CC1 225485590 XYJKNZCKKNZBHW-LBPRGKRZSA-N 342.834 2.467 30 50 EEEA CC/N=C(/NCC)S[C@@H]1CC(=O)N(c2cccc(OCC)c2)C1=O 2189066 PWNGRPVOEVQJBF-CQSZACIVSA-N 349.456 2.436 30 50 EEEA CCCn1cc(N=C(O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cn1 328623500 JFXHXMKPLOXEEO-ZDUSSCGKSA-N 348.407 2.419 30 50 EEEA Cc1ccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1C#N 374237427 MIDZJQHPMRVRFJ-KRWDZBQOSA-N 338.411 2.186 30 50 EEEA CC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(C)nc(O)c(C#N)c2C[C@]1(C)O 238900790 JZGZUQUVLQAEMQ-SCTDSRPQSA-N 337.379 2.007 30 50 EEEA C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C)cc2OC)C1 91747044 HJKXUANLKUIOHB-QGZVFWFLSA-N 339.457 2.343 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)N=N1 952881524 NHPCIBLNGAIIAL-HNNXBMFYSA-N 339.399 2.049 30 50 EEEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)Cc1nccn1C(F)F 281788380 LDFMBIWVWSYJID-DGCLKSJQSA-N 328.363 2.401 30 50 EEEA COc1cc(OC)c([C@H]2NC(=S)NC(C)=C2C(C)=O)cc1OC 4030589 DEIVOVDTTBFALI-OAHLLOKOSA-N 336.413 2.094 30 50 EEEA Cc1ccc2nc(CN3CCN(Cc4cncc(C#N)c4)CC3)cn2c1 2325788842 LAZIYKWLBQJSFD-UHFFFAOYSA-N 346.438 2.227 30 50 EEEA C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2089273 LANTVZXHKTYDCI-UHFFFAOYSA-N 342.848 2.043 30 50 EEEA CCCN(CC#Cc1ccccc1)C(=O)[C@@H]1CCCN(C(N)=O)C1 55402063 IVSZVYNYBTZPRW-QGZVFWFLSA-N 327.428 2.067 30 50 EEEA COc1cc(N2CCN(c3ncccc3C#N)CC2)ccc1[N+](=O)[O-] 266117427 LQRSRCMSGXMPRT-UHFFFAOYSA-N 339.355 2.197 30 50 EEEA C#CCOc1ccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 170616023 GRQAORQRRMAARY-GOSISDBHSA-N 325.412 2.367 30 50 EEEA C#CCN(C(=O)c1nc(NC(C)C)ncc1Br)C1CC1 1875274334 OTCHRHGBDMTVFD-UHFFFAOYSA-N 337.221 2.297 30 50 EEEA COc1nc2ccn(CCc3nc4ccccc4[nH]3)c(=O)c2cc1C#N 67920461 UAFHTSSSQOUFBX-UHFFFAOYSA-N 345.362 2.396 30 50 EEEA C=C(C)CNCc1ccc(OC)c(OC[C@@H](O)CN(C)C(C)C)c1 12588783 AECFSLHPFPCZIA-KRWDZBQOSA-N 336.476 2.441 30 50 EEEA C[C@H]1C[C@H](N)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 237634653 RZXDXYMFUIHLHH-GXSJLCMTSA-N 347.362 2.077 30 50 EEEA C=CCOc1cccc(NC(=O)N2CCC[C@@](O)(CN(C)C)C2)c1 96140493 VTAJCWDEDVMTBF-GOSISDBHSA-N 333.432 2.172 30 50 EEEA C=CCOc1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 820494625 XJDQLPACIDPQBP-UHFFFAOYSA-N 340.379 2.443 30 50 EEEA CCC[C@H](C#N)NC(=O)c1c(C)nsc1I 1775997082 UNZOVXPHISTHQB-SSDOTTSWSA-N 349.197 2.478 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)N=N1 2325886855 LTMQWLNJQOZAQI-LBPRGKRZSA-N 343.387 2.210 30 50 EEEA N#CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1 1424659 OPPGPVOGOLBNRR-UHFFFAOYSA-N 345.405 2.456 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2ncc(C#N)cc2Cl)C1 328613280 RKQWKNSQPVVDGN-HNNXBMFYSA-N 346.778 2.380 30 50 EEEA Cn1cc(CN2CCC[C@@H](Cc3nnc4ccccn34)C2)cc1C#N 365254684 IJGQGVHWSWGBHD-HNNXBMFYSA-N 334.427 2.394 30 50 EEEA N#C[C@@H]1CN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CCN1C1CC1 370995045 XSCOWQBOKVNPBV-DPAQFELZSA-N 347.422 2.084 30 50 EEEA CC(C)N1C(=O)N[C@@H]2CN(C(=O)c3cc(C#N)ccc3Cl)CC[C@@H]21 286052544 SAVMIBHQJZNVNC-CABCVRRESA-N 346.818 2.228 30 50 EEEA C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCNC(=O)c1ccc(F)cc1 408520107 HCEYASCWYQLKDF-HOTGVXAUSA-N 334.391 2.043 30 50 EEEA C#Cc1ccc(C(=O)OCc2cc(OC)c(F)cc2[N+](=O)[O-])nc1 766196232 QEVHCTDLDKCEKG-UHFFFAOYSA-N 330.271 2.476 30 50 EEEA N#C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)C1 907098214 XAJUTBSZKYFFNB-GFCCVEGCSA-N 348.424 2.188 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(c3cncc(F)c3)CC2)N=N1 2325892297 IDQXNRVHMVEGKZ-UHFFFAOYSA-N 329.379 2.225 30 50 EEEA Cc1cc(N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)c(C#N)cn1 886079569 FTRQRHCZOGIJOZ-SFHVURJKSA-N 337.427 2.376 30 50 EEEA C=CCN(Cc1c(Cl)cccc1C(=O)O)[C@H]1CCS(=O)(=O)C1 652399557 QYVVFGWWRJEGBE-NSHDSACASA-N 343.832 2.213 30 50 EEEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(O)=Nc1cccnc1 328626753 MAVUXIQTXOAVIE-WMLDXEAASA-N 342.447 2.376 30 50 EEEA C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@H](C2CC2)O1 366321306 WAJGKGKXOFIBPX-SUMWQHHRSA-N 329.400 2.146 30 50 EEEA COC[C@]1(CNc2nnc(C)c(C)c2C#N)OCCc2ccccc21 378058114 LPGBXNMLJMIOQW-IBGZPJMESA-N 338.411 2.492 30 50 EEEA COc1nccc(N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1C#N 72144692 IGAVCXZDLJUKNR-AWEZNQCLSA-N 340.358 2.314 30 50 EEEA C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1nn(C(C)(C)C)cc1C#N 193719609 QOJSZUKOKBMSMO-LLVKDONJSA-N 333.436 2.389 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc([N+](=O)[O-])c1 381166 AGBBFQVUQLAPOB-HIFRSBDPSA-N 346.339 2.058 30 50 EEEA N#Cc1ccc(CN2C[C@H](O)[C@]3(C2)[C@H](c2ccccc2)[C@H]3CO)cc1 1857711839 GLGRSTZXHYRJKX-PLACYPQZSA-N 334.419 2.127 30 50 EEEA N#Cc1sc(N2CCNC(=O)[C@@H]2Cc2ccccc2)nc1Cl 2325724252 NIWYJPVQRKBJLH-NSHDSACASA-N 332.816 2.216 30 50 EEEA C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 2059281 AIYOVQQKAJQHLP-CQSZACIVSA-N 331.328 2.294 30 50 EEEA C[C@]1(N/C(O)=N/CCc2cnc(C3CC3)nc2)CCO[C@@H]1C1CC1 328587262 RGSLUMSGUPYLNE-QAPCUYQASA-N 330.432 2.358 30 50 EEEA Cc1noc([C@@H](/N=C(/O)c2cn3ccccc3n2)C2CCOCC2)n1 328610967 JUMNUMAKYWWEHL-HNNXBMFYSA-N 341.371 2.498 30 50 EEEA CC1=C(Br)CN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 281055337 JMGVYRABMGIIHN-AWEZNQCLSA-N 328.254 2.415 30 50 EEEA C=C1C(=O)[C@]23C[C@@H](O)[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)C2=CC[C@@]1(O)C3 209716354 QHDAFFWLZDOSSY-DSFYQTMISA-N 346.423 2.225 30 50 EEEA biogenic CSc1nc(N)nc(SCC(=O)Nc2ccccc2)c1C#N 3169419 RDLRXFCEWKHEDN-UHFFFAOYSA-N 331.426 2.383 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C 253421233 SJMFPCANFRRJKB-JCHJZTRSSA-N 343.471 2.389 30 50 EEEA C=CCOc1ccccc1C(=O)N(C)Cc1nc(CCOC)no1 152512965 LPVAGDPKLLQHQI-UHFFFAOYSA-N 331.372 2.096 30 50 EEEA CC[C@@H]1CN2CCC[C@H]2CN1C(=O)NCCc1cccc(C#N)c1 374273984 PCSDAMNLABNIIU-MSOLQXFVSA-N 326.444 2.369 30 50 EEEA C=CCn1c(CN)nnc1SCc1cnc(C(F)(F)F)nc1C 534656086 NVOQRJLJSFFRSE-UHFFFAOYSA-N 344.366 2.332 30 50 EEEA Cc1noc(C[C@]2(O)CCCN(c3c(C#N)cnc4ccccc34)C2)n1 886079368 JGWVHTZNBCPZER-LJQANCHMSA-N 349.394 2.372 30 50 EEEA C=C[C@H](C)ONC(=O)N1[C@H]2CC[C@H]1CN(C(=O)OC(C)(C)C)C2 854219416 OSPFWVJKUNQOKD-AVGNSLFASA-N 325.409 2.286 30 50 EEEA C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 416435 AAOBUWOPLQPZMS-UHFFFAOYSA-N 329.429 2.241 30 50 EEEA O=C(O)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F 100912145 JOMWXCJOGPORCL-UHFFFAOYSA-N 325.058 2.367 30 50 EEEA Cn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1coc(C2CCOCC2)n1 328741378 IXWSSCCGJXCSAE-JSGCOSHPSA-N 346.387 2.137 30 50 EEEA CN(Cc1cc(C#N)n(C)c1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C 284936393 VAZFLOQCUUKZBR-QFBILLFUSA-N 340.475 2.145 30 50 EEEA N#Cc1cc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)c[nH]1 367018123 USTJAKVBVUIUCW-MRXNPFEDSA-N 334.379 2.451 30 50 EEEA N#Cc1cccc(CCNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 367004760 OGIJSRABYUNAKO-MJGOQNOKSA-N 327.428 2.437 30 50 EEEA C[C@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCN(C)CC1 216631730 WBQHQUTUAOVLFF-OAHLLOKOSA-N 330.281 2.294 30 50 EEEA Cc1nc([C@@H]2CCCN2/C(O)=N/[C@H](C)C(=O)N2CCCC[C@H]2C)no1 329407424 XMEGOOIQKWTWFC-BZPMIXESSA-N 349.435 2.218 30 50 EEEA CC(C)n1cc([C@]2(O)CCN(c3ccc(Cl)cc3C#N)C2)nn1 284392987 ANIFPXZOIVXJGV-INIZCTEOSA-N 331.807 2.482 30 50 EEEA Cc1c(C(=O)NCC#C[C@H]2CCCCO2)c2ccccc2n(C)c1=O 891107237 BCVQWFIOLYUFGD-OAHLLOKOSA-N 338.407 2.149 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)N=N1 2325891013 LVUDEFHWEPSLJD-OWCLPIDISA-N 334.464 2.202 30 50 EEEA CC[C@]1(C)COCCN1S(=O)(=O)c1ccc(Cl)cc1C#N 356130048 ASPGKSSXAHNCEE-CQSZACIVSA-N 328.821 2.401 30 50 EEEA N#Cc1ccccc1CN1CC[C@@H](CNC(=O)c2cccc(N)c2)C1 67677238 ZIHPCTDPPHJBAK-HNNXBMFYSA-N 334.423 2.392 30 50 EEEA CC(C)N(C)c1cccc(N=C(O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1 330525056 BYSRDJYCCAUJBC-HZPDHXFCSA-N 348.491 2.464 30 50 EEEA N#Cc1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCC2 225608714 WZLCLOLLPJCYHV-RFHZTLPTSA-N 346.408 2.315 30 50 EEEA C=C(C)COc1ccccc1NC(=O)N(CCO)Cc1nccn1C 299780811 BKMZPYQNQVNLSS-UHFFFAOYSA-N 344.415 2.401 30 50 EEEA CC(C)C(=O)Nc1cccc(C(=O)N2CCn3nc(C#N)cc3C2)c1 952989175 CDPILYSCWHHBCM-UHFFFAOYSA-N 337.383 2.005 30 50 EEEA C/N=C1\S/C(=C\c2ccc(N3CCOCC3)cc2C)C(=O)N1C 1132411 OWKDJZWQDAGOBX-NPAMKKHASA-N 331.441 2.364 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O 253431800 UCQNPIMWQRAMEG-RKTXRCNFSA-N 328.412 2.278 30 50 EEEA CC(C)N(CCOCCO)C(=O)Nc1ccc(C#N)c(Cl)c1 282736522 YIIMLNYEPYUEGT-UHFFFAOYSA-N 325.796 2.463 30 50 EEEA CC1(C)[C@H](O)C[C@@H]1CC(=O)NC1CCN(c2ccc(C#N)cc2)CC1 1875292326 DOLZOKCSUBNFQK-CRAIPNDOSA-N 341.455 2.440 30 50 EEEA CCN(CC#N)S(=O)(=O)[C@H]1C[C@@H]1c1ccccc1Br 1875362895 XXJPADRYSXVMAA-YPMHNXCESA-N 343.246 2.480 30 50 EEEA C#CCCC1(CCNC(=O)c2cn(C)nc2-c2nccs2)N=N1 1875368648 HVTVQCMNLYZMMP-UHFFFAOYSA-N 328.401 2.239 30 50 EEEA Cc1ccc(S(=O)(=O)C[C@@H](O)COc2ccccc2C#N)cc1 1399240 NWPSVOQIUOUKSB-HNNXBMFYSA-N 331.393 2.080 30 50 EEEA CC(C)(C)N1C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2[C@@H]1O 170005679 QBCFNUPJPOUMBW-HNNXBMFYSA-N 331.221 2.231 30 50 EEEA Cc1noc([C@@H](/N=C(/O)Nc2nc(C)c(C)o2)C2CCOCC2)n1 328645959 ZWDHVULNZYANIY-LBPRGKRZSA-N 335.364 2.477 30 50 EEEA Cc1ccc(-c2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)on2)cc1 368518196 HRLHVMOITXDQLD-MRXNPFEDSA-N 336.395 2.462 30 50 EEEA CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1CCOc1ccccc1C#N 284693372 FXUKXLQWZGQUJP-JENIJYKNSA-N 330.428 2.453 30 50 EEEA COC(=O)c1cc(C#N)c(N[C@@H]2CC(=O)N(CC(C)(C)C)C2)nc1C 72163265 KVOUJTVVTNSTML-CYBMUJFWSA-N 344.415 2.107 30 50 EEEA CC[C@H](c1ccnn1C)n1cc(-c2cc(C#CCO)cs2)nn1 91551840 GYRWZIGDJWSAFP-CQSZACIVSA-N 327.413 2.083 30 50 EEEA CC(C)(C#N)c1ccccc1CN1CCC[C@@](O)(c2cnn[nH]2)C1 794048248 ZZFBBJCTXRYESP-SFHVURJKSA-N 325.416 2.089 30 50 EEEA CN1C[C@@H]2C[C@H](N(C)C(=O)c3cc(F)cc(C#N)c3)C[C@@H]2CC1=O 1529152480 TZOYSBHZPBXKHR-IVMMDQJWSA-N 329.375 2.026 30 50 EEEA CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccncc1 7276675 XVRMQSDOQVSPLG-LBPRGKRZSA-N 340.408 2.451 30 50 EEEA C#CCCC1(CCC(=O)NC[C@]2(C(=O)OC)C[C@H]3CC[C@H]2C3)N=N1 2325892769 BDQFFPZVYLYPJQ-GRDNDAEWSA-N 331.416 2.438 30 50 EEEA O=C(O)C[C@H]1S/C(=N\C(=O)c2ccco2)N(c2ccccc2)C1=O 102944060 QZLIYIRNKHHIQU-WGKGOADCSA-N 344.348 2.399 30 50 EEEA CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccc(C#N)cc1 230252494 YNEUWSMYRIQQJX-QZTJIDSGSA-N 327.428 2.160 30 50 EEEA Cc1nn(C)c(C(=O)Nc2sc3c(c2C#N)CCC3)c1[N+](=O)[O-] 2779305 BXUCVHFANKGZAO-UHFFFAOYSA-N 331.357 2.311 30 50 EEEA Cc1nc(C(C)(C)NC(O)=Nc2cn(C)nc2C(F)(F)F)no1 331319057 HTCPXAWDRXZNTL-UHFFFAOYSA-N 332.286 2.201 30 50 EEEA C=CCn1c(-c2cccc(Cl)c2)cn2cc(C(=O)NC)nc2c1=O 72410545 PDGAESFOWIDTSO-UHFFFAOYSA-N 342.786 2.362 30 50 EEEA Cc1ccc(Br)c(NC(=O)C(=O)N(C)[C@H](C)CC#N)c1 131993079 YTDGZJFDCGSDEU-SNVBAGLBSA-N 338.205 2.457 30 50 EEEA Cc1cc(C)c(C#N)c(N2CC[C@@H](C3CC3)[C@@H]2c2nnc(O)n2C)n1 1875400128 RKUYRCSNUORAQN-DZGCQCFKSA-N 338.415 2.382 30 50 EEEA C#Cc1cnc(N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)nc1 952887218 LOFLQGYQHANJLI-OAHLLOKOSA-N 339.468 2.405 30 50 EEEA CN(C)C(=O)c1ccc(Cl)c(NCC(=O)N[C@](C)(C#N)C2CC2)c1 111185930 SNCUGDXTWYRUMF-QGZVFWFLSA-N 348.834 2.262 30 50 EEEA CCCCCCCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1609969229 WMHFKVKSKJKXGA-WMLDXEAASA-N 326.437 2.480 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/[C@@H](CO)c1ccco1 328614065 VELSVIDIVXVDMV-XEZPLFJOSA-N 333.388 2.398 30 50 EEEA N#Cc1ccc([C@H](N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C(N)=O)cc1 252584512 ATSXDNZOCRSAJB-TWMKSMIVSA-N 325.412 2.022 30 50 EEEA CN1CC[C@@H](N2CCC(/N=C(/O)CCc3ccsc3)CC2)C1=O 329206500 YFMGHBIRHGNFOE-OAHLLOKOSA-N 335.473 2.332 30 50 EEEA Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cc1C#N 369112299 KZEXYWKOKMTXRF-HNNXBMFYSA-N 335.411 2.424 30 50 EEEA COCCCN1C(=O)CC[C@H]2CN(Cc3ccccc3C#N)CC[C@H]21 72428696 UNWGVAUYJOZZDM-RBUKOAKNSA-N 341.455 2.408 30 50 EEEA CCOc1ccc(NC(N)=Nc2nc(=O)c3c([nH]2)CCCC3)cc1 96101666 UIUBKMVHHLPRNG-UHFFFAOYSA-N 327.388 2.106 30 50 EEEA C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc2c1CCCC2)C(=O)O 863420516 LHSRKPSPJHBPMZ-CYBMUJFWSA-N 343.832 2.440 30 50 EEEA CS(=O)(=O)c1cccnc1CNc1nc2c(cc1C#N)CCCC2 278778322 LMWYMGSVYBLAGE-UHFFFAOYSA-N 342.424 2.243 30 50 EEEA CC1(C)OB(c2ccc(CS(C)(=O)=O)cc2Cl)OC1(C)C 170017313 PZJLTNPWAZTIKO-UHFFFAOYSA-N 330.642 2.184 30 50 EEEA N#Cc1ccc(C(=O)N2CCN[C@@H](c3ccccc3Cl)C2)cn1 374867861 GSWUXIMZDOAMGI-MRXNPFEDSA-N 326.787 2.393 30 50 EEEA Cn1cc(-c2c(C#N)c(N)nc3c2C[C@H](N)CC3)c(-c2ccccc2)n1 71419091 FWOKQFANCGAJPR-CYBMUJFWSA-N 344.422 2.419 30 50 EEEA CNC(=O)[C@@H]1CCCN1c1cc(C)c(C#N)c2nc3ccccc3n12 171988309 QZPQYMGBENDOMJ-INIZCTEOSA-N 333.395 2.382 30 50 EEEA CC(C)c1ccc(C#N)c(N2CCN(CC(=O)NC(C)(C)C)CC2)n1 1529134292 SDVSVMFLPVUFFI-UHFFFAOYSA-N 343.475 2.113 30 50 EEEA C=C(C)CNC(=O)CCc1nnc(Cc2cc(OC)ccc2OC)o1 12052564 YODVQGPUZXBTHF-UHFFFAOYSA-N 345.399 2.303 30 50 EEEA CCSCCCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 225692650 IMPYFUIQMMAWAM-UHFFFAOYSA-N 347.488 2.364 30 50 EEEA Cc1ccc(S(=O)(=O)OCCc2cccc3c2CC(=O)N3)cc1 22005674 OGFUVAXFYGBCAK-UHFFFAOYSA-N 331.393 2.438 30 50 EEEA in-vitro COc1cc(C#N)ccc1CNC(=O)NCCc1ccc2c[nH]nc2c1 1875358793 KAPGJMSXBIZTAQ-UHFFFAOYSA-N 349.394 2.485 30 50 EEEA N#Cc1ccc(C2(C(=O)N3CCC[C@H](Cn4ccnn4)C3)CC2)cc1 188870911 CFRBDHKFMVXRQU-INIZCTEOSA-N 335.411 2.120 30 50 EEEA Cc1nnc(SCc2cc(=O)n3ccsc3n2)c(C#N)c1C 358282489 KLYXADSYFSKKKD-UHFFFAOYSA-N 329.410 2.327 30 50 EEEA Cc1noc(C[C@@]2(O)CCCN(c3cc(Cl)ccc3C#N)C2)n1 886079620 MSPQNCLGVIYVST-INIZCTEOSA-N 332.791 2.477 30 50 EEEA CC(C)(C)n1cc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)nn1 191158352 BAEKPTPDVPKPDG-GOSISDBHSA-N 338.459 2.243 30 50 EEEA Cc1cccc([C@H](NC(=O)c2ccc(C#CC(C)(C)O)o2)C(=O)O)c1 1506421454 JUYZXLGACQBXKF-INIZCTEOSA-N 341.363 2.266 30 50 EEEA Cc1ccc(S(=O)(=O)OCCOCC(=O)OC(C)(C)C)cc1 200924015 ASBZYPKOIDXKMT-UHFFFAOYSA-N 330.402 2.059 30 50 EEEA N#C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 827030291 JZDGIHWZLGSTCD-VXGBXAGGSA-N 325.290 2.055 30 50 EEEA 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N#CC1(NC(=O)CN2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)CCCCC1 331536591 FYJCXDPXLCQLAQ-DLBZAZTESA-N 345.418 2.276 30 50 EEEA Cc1ccc(N2C[C@H](C)N(C(=O)c3ccc(C#N)nc3)CC2=O)cc1 82134404 XRKZMUSEQFZOPK-AWEZNQCLSA-N 334.379 2.139 30 50 EEEA C=CCc1c(C)nc(N)nc1N1CCC([C@@H](O)c2ccccn2)CC1 91966329 HQKLXXXWSPXJES-QGZVFWFLSA-N 339.443 2.441 30 50 EEEA C=CCc1c(C)nc(N)nc1N1CCN(c2cccc(O)c2)CC1 91435271 WAULUWJIBHZVFB-UHFFFAOYSA-N 325.416 2.128 30 50 EEEA N#CC1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCOCC1 182436793 LHMFIJNYVAQWCK-CABCVRRESA-N 336.338 2.231 30 50 EEEA Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(C(C)(F)F)no1 1776005830 JBPTUXCFUBHFFO-UHFFFAOYSA-N 332.314 2.498 30 50 EEEA Cc1cncc(/C=C/C(O)=N/C2CCN([C@H]3CCN(C)C3=O)CC2)c1 328593521 DOEITQQFDJFLHR-IDOMTICXSA-N 342.443 2.055 30 50 EEEA N#Cc1ncn(-c2ccccc2NC(=O)c2cc(F)cc3nc[nH]c23)n1 366465136 OQTINUOEOWPHCK-UHFFFAOYSA-N 347.313 2.407 30 50 EEEA CC(C)(C#N)c1ccccc1CN1CCC[C@@](O)(Cn2ccnn2)C1 284542104 KTACBSDYTKIHJM-IBGZPJMESA-N 339.443 2.106 30 50 EEEA COc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1C(=O)N(C)C 426571501 MZGASCDUQWWPEJ-GFCCVEGCSA-N 330.388 2.164 30 50 EEEA CN(C)c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 245309447 CYIRFOHUIPKUIU-VOXQFWPCSA-N 335.407 2.140 30 50 EEEA Cc1ccc(NC(=O)N2CCC[C@@](CO)(CN(C)C)C2)cc1C#N 299783058 UAHSOGPCMDAZJR-GOSISDBHSA-N 330.432 2.035 30 50 EEEA CC(C)(N=c1[nH]c2ccccc2n2nnnc12)c1ccc(C#N)cc1 2325870742 MWIDUSZVPIJCLC-UHFFFAOYSA-N 329.367 2.313 30 50 EEEA CC1(C#N)CN(C(=O)CSc2nccn2Cc2ccccc2)C1 907923248 AWCMHTVLWNQBOL-UHFFFAOYSA-N 326.425 2.396 30 50 EEEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1[C@H]1CCCN1C 248160982 XMIRUZDMSYIKOS-UAGQMJEPSA-N 327.428 2.411 30 50 EEEA COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnn3c2CCCC3)cc1 125617807 JNMJBWRZEROMRS-CQSZACIVSA-N 338.367 2.189 30 50 EEEA Cc1nsc(N2CCN(C(=O)c3ccc(O)cc3F)CC2)c1C#N 291232348 WXEXAYVVKGSDIL-UHFFFAOYSA-N 346.387 2.130 30 50 EEEA C=CCn1c(SCc2cc(O)nc(C)n2)nnc1C1CCNCC1 426604508 NWFKSAZKUIOEJO-UHFFFAOYSA-N 346.460 2.027 30 50 EEEA CC[C@H](NC(=O)c1ccc(C#CC(C)(C)O)cc1)c1ncnn1CC 244899863 ZRSCVSBNOQWJGQ-INIZCTEOSA-N 340.427 2.302 30 50 EEEA C=CCN1C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)CC1=O 820474860 OHLISKIIHIBWNI-GFCCVEGCSA-N 326.318 2.356 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)N=N1 952882431 QTVJDNXSRPCXPK-BBWFWOEESA-N 346.475 2.442 30 50 EEEA C[C@@H]1CC[C@@H](CS(=O)(=O)N2CCC(c3ccc(C#N)cn3)CC2)O1 1875297689 AMBACLNPNZBAJS-CJNGLKHVSA-N 349.456 2.030 30 50 EEEA CC#CC(=O)N[C@@H](C)c1ccc(Br)cc1OCCO 1875365474 BFFSYIPFEDTEKC-JTQLQIEISA-N 326.190 2.021 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nnc(-c2ccccc2OC)[nH]1 278803734 YOSQCZBPCWGVAZ-TZMCWYRMSA-N 328.372 2.400 30 50 EEEA CC(C)c1ccc(C#N)c(N2CC[C@@]3(C(=O)O)CCCN(C)[C@@H]3C2)n1 1704302759 CPKSRMKNBLNYDC-APWZRJJASA-N 342.443 2.452 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5073039 DYTPDARHIUGRJH-UHFFFAOYSA-N 329.312 2.389 30 50 EEEA Cc1noc([C@H](NC(=O)c2ccc(C#N)cc2C)C2CCOCC2)n1 328609637 FJNMFMQVRYSXHD-MRXNPFEDSA-N 340.383 2.456 30 50 EEEA C=CCn1cc(CN(CCN2CCOCC2)Cc2ccco2)c(C)n1 55060842 VJFBSEOCCHZGMF-UHFFFAOYSA-N 344.459 2.305 30 50 EEEA C=CCN1CCC=C(CN2CCC[C@H](NC(=O)c3ccco3)C2)C1 67921550 YOVHOARPUWWEDJ-KRWDZBQOSA-N 329.444 2.292 30 50 EEEA COC[C@@H]1CN(c2ccc(C3OCCO3)c(Cl)c2C#N)CCO1 253425104 AXIFZSLPBUCXGA-NSHDSACASA-N 338.791 2.109 30 50 EEEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@@H]1CCCC[C@@]1(O3)O[C@@H]2c1ccncc1 137718508 GICZAEKCMQBQEG-NFIDOXACSA-N 333.351 2.479 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2CCN(c3ncccc3F)C2)N=N1 952882948 ZHYGZRVVDXRXCU-ZDUSSCGKSA-N 329.379 2.271 30 50 EEEA C=CCN1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)CC1=O 952961039 BGHGUFAVZYLBON-AWEZNQCLSA-N 341.411 2.095 30 50 EEEA COc1ccc(/C(N)=N/OC(=O)c2cccc([N+](=O)[O-])c2C)cc1 13543730 ZZVRBIHQQFQQHM-UHFFFAOYSA-N 329.312 2.389 30 50 EEEA N#Cc1c(-c2ccccc2)nc(SCC(=O)N2CCCC2)[nH]c1=O 5238216 NLBRATOYQUKRJV-UHFFFAOYSA-N 340.408 2.023 30 50 EEEA O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C=C[C@H]2C1 101021375 GNOMRFUOVDBJSR-IKVVNCLDSA-N 345.742 2.389 30 50 EEEA CCC[C@]1(COC)CCCN1/C(O)=N/C[C@H]1CCCN(C(C)=O)C1 331066531 QVQIHPXCNLNTNP-SJLPKXTDSA-N 339.480 2.440 30 50 EEEA CC(=O)N(C1CCC1)[C@@H]1CCCN(C(O)=Nc2cnn(C)c2)CC1 328643007 RGKOFEHOVHMDOU-MRXNPFEDSA-N 333.436 2.221 30 50 EEEA O=C(c1cccc2c1OCO2)N1CSC[C@H]1/C(O)=N/CC1CC1 329310507 ZLKGDJHVFWNPDG-LBPRGKRZSA-N 334.397 2.297 30 50 EEEA O=[S@@+]1(O)C[C@@H]2[C@H](C1)NC(=S)N2c1ccc(Cl)c(Cl)c1 334158654 ZKIMDSJVNKXMKF-VHSXEESVSA-P 338.261 2.411 30 50 EEEA C=CCOC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 25723484 WSUYYYMWIGBPJO-LLVKDONJSA-N 330.381 2.047 30 50 EEEA biogenic CC(C)(O)C#Cc1ccc(CN2CCC[C@H](CS(C)(=O)=O)C2)cc1 824864189 MDYOIOYOJKWVCO-SFHVURJKSA-N 349.496 2.066 30 50 EEEA CC1(c2nnc(-c3ccccc3F)o2)CN(c2ccnc(C#N)n2)C1 952895196 XXVAYBRCONDIIO-UHFFFAOYSA-N 336.330 2.315 30 50 EEEA CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1ccc2c(c1)OCO2 5726697 RUABOSSMJZGLKL-CAOOACKPSA-N 346.412 2.269 30 50 EEEA N#C[C@@H]1CN(/C(O)=N/CC(F)(F)F)C[C@@]12C(O)=Nc1ccccc12 328586380 FWOTWYSPOAVBFD-YMTOWFKASA-N 338.289 2.458 30 50 EEEA CN(CCc1ccc(F)cc1F)Cc1cc(O)n2ncc(C#N)c2n1 2325873488 IYDAIGOGCFLMMY-UHFFFAOYSA-N 343.337 2.259 30 50 EEEA Cc1ccc(S(=O)(=O)C[C@H](O)COc2ccccc2C#N)cc1 1399239 NWPSVOQIUOUKSB-OAHLLOKOSA-N 331.393 2.080 30 50 EEEA C[C@H](CC#N)N(C)S(=O)(=O)NCC1(Cc2ccc(F)cc2)CC1 282257350 GMOBXMWNTDRBFH-CYBMUJFWSA-N 339.436 2.217 30 50 EEEA COC(=O)[C@@H]1C(=O)/C(=C/Nc2ccccc2OC)C(=O)CC1(C)C 100318939 KIWNOSNYBRBEMS-NKSUMMKUSA-N 331.368 2.348 30 50 EEEA CCc1ccc(C(=O)NCc2ccc(C#N)cc2)cc1S(C)(=O)=O 122065407 QXFKYKPMVZMGEF-UHFFFAOYSA-N 342.420 2.454 30 50 EEEA COC(=O)[C@@H](/N=C(/O)c1cnn2c1CCCC2)c1cccc(O)c1 328587019 XEZFXBZJKFVKDE-HNNXBMFYSA-N 329.356 2.144 30 50 EEEA CCc1cc(N2CCN(c3ccccc3C#N)CC2)n2nccc2n1 72423420 MEFLRXQYSPPHCE-UHFFFAOYSA-N 332.411 2.490 30 50 EEEA Cc1ccc(-c2noc(CNC(=O)N3CCC(C#N)CC3)n2)cc1 534588977 FHAVJBLMVYEFFR-UHFFFAOYSA-N 325.372 2.490 30 50 EEEA Cn1cnn(-c2ccc(NCc3cn4ccccc4c3C#N)cc2)c1=O 193475319 KFXKPHFQQOHMPB-UHFFFAOYSA-N 344.378 2.307 30 50 EEEA O=C1Nc2ccccc2/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15773562 AFHKABYLKKFVNS-UHFFFAOYSA-N 327.256 2.271 30 50 EEEA N#Cc1ccc(N2CCN(c3cnc(C(=O)O)cn3)CC2)c(Cl)c1 263411317 MKORNNUKQNWJEZ-UHFFFAOYSA-N 343.774 2.026 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](C)C(=O)N2Cc3ccccc3C2)N=N1 2325892519 QABCLZCCGYYPHO-AWEZNQCLSA-N 338.411 2.389 30 50 EEEA N#Cc1cccc(N2CCN(Cc3cc4ccccc4[nH]3)C[C@H](O)C2)n1 225327469 ZWNNFPUTTKVJKK-SFHVURJKSA-N 347.422 2.118 30 50 EEEA N#Cc1c[nH]ccc1=NCC1CCN(C[C@H](O)c2ccccc2)CC1 364907533 NOSSNJWZRFFTML-FQEVSTJZSA-N 336.439 2.233 30 50 EEEA C[C@@H]1OCC[C@]1(C)/N=C(/O)CCn1c(=O)nc(O)c2ccccc21 329753785 KHGWGWHISNCDRA-GTNSWQLSSA-N 331.372 2.016 30 50 EEEA C=CCN1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 426474115 FUIYTKVQPXRNJA-SFHVURJKSA-N 339.443 2.138 30 50 EEEA Cc1cccc(S(=O)(=O)N[C@H](CC(=O)O)c2ccccc2)c1C#N 760099323 JWDREQINNHVZBK-OAHLLOKOSA-N 344.392 2.361 30 50 EEEA Cc1ccc(C#N)c(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)n1 302433617 LTNBOINQCNNVDX-HXUWFJFHSA-N 336.439 2.335 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc(=O)n3c2CCCCC3)N=N1 2325891453 HKKLFGNPYRUZAJ-UHFFFAOYSA-N 326.400 2.270 30 50 EEEA COC(=O)c1ccc(NC(=O)CSc2ncccc2C#N)cc1 7051557 VKNATLFMFJAFAN-UHFFFAOYSA-N 327.365 2.471 30 50 EEEA Cc1nc(C)c(C)c(N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1 253392199 FZWFJNHMVXFGLO-IFXJQAMLSA-N 333.395 2.252 30 50 EEEA CCOC(=O)c1c(NC(=O)N2CC(C#N)C2)c2c(F)cccc2n1C 1775994069 RSPGYLNMFRIUEK-UHFFFAOYSA-N 344.346 2.481 30 50 EEEA O=C1Nc2ccc(Cl)cc2/C1=N\N1C(=O)c2ccccc2C1=O 444884 BUDQAVPMTKHUNB-UHFFFAOYSA-N 325.711 2.292 30 50 EEEA N#Cc1cccc(-c2c[nH]c(CNC(=O)[C@H]3CCCc4[nH]ncc43)n2)c1 253417021 ZJEWDCOQHLVSIO-AWEZNQCLSA-N 346.394 2.408 30 50 EEEA COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnn3c2CCCC3)cc1 125617589 JNMJBWRZEROMRS-AWEZNQCLSA-N 338.367 2.189 30 50 EEEA COc1ncc(CN2CCCN(c3ccccc3C#N)CC2)c(C)n1 366842121 AOPBGFBDIFUOOT-UHFFFAOYSA-N 337.427 2.378 30 50 EEEA O/C(=N/C1CCN(C2CCCCC2)CC1)N[C@@H]1CCn2ccnc2C1 330184017 IHSQWHOGDHEFDM-MRXNPFEDSA-N 345.491 2.499 30 50 EEEA C=CCN1C(=O)N[C@H]2C[C@@]1(Cn1cccn1)Oc1ccc(F)cc12 1875319951 ZUNWHXNIUOVLJA-YOEHRIQHSA-N 328.347 2.454 30 50 EEEA CC[C@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)c1ccnn1C 952986368 LSVKXTYCFPHMQX-INIZCTEOSA-N 325.412 2.424 30 50 EEEA O=[N+]([O-])c1ccccc1S(=O)(=O)/N=C(\O)OCc1ccccc1 44075871 BFQXFHUTPNBFSR-UHFFFAOYSA-N 336.325 2.414 30 50 EEEA in-vitro N/C(=N\OS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccncc1 5059910 KJOOYTZMKNYQID-UHFFFAOYSA-N 346.195 2.414 30 50 EEEA N#C[C@H](c1ccccc1)C1CCN(C(=O)c2c[nH]c(C(N)=O)c2)CC1 2325852426 FGTWNBSPJYUFQE-MRXNPFEDSA-N 336.395 2.273 30 50 EEEA C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1F)CC(=O)N2 4944213 KNMNRFLYYQUELH-JTQLQIEISA-N 329.356 2.108 30 50 EEEA C=CCC(O)(CC=C)CN1CCN(CC(O)(CC=C)CC=C)CC1 22465894 DDQFCSIDRAEOQZ-UHFFFAOYSA-N 334.504 2.371 30 50 EEEA N#Cc1cccc(/C=C/C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 282800458 QDBLHLALDGNACT-OVKVCFKUSA-N 339.439 2.142 30 50 EEEA CO[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 376022686 UNCMQNYCSWFODA-LBPRGKRZSA-N 328.821 2.401 30 50 EEEA C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)c1cc(C#N)cn1C 377109237 AQQJXIWIOWFQGY-GFCCVEGCSA-N 338.415 2.363 30 50 EEEA C[C@@H](NC(=O)Cn1c2c(cc(C#N)c1=O)CCC2)c1cccs1 952963049 BZJRMCSEKRGVEQ-LLVKDONJSA-N 327.409 2.148 30 50 EEEA Cc1ccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)cc1 5092780 SNMTYCDUNJWEFI-UHFFFAOYSA-N 329.312 2.146 30 50 EEEA C=CCNC(=O)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 11934358 SQMPZQYCSHDQPL-UHFFFAOYSA-N 328.412 2.382 30 50 EEEA Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CC(Oc2ccc(C#N)cc2)C1 366957521 CRADXMQPJRHVDL-INIZCTEOSA-N 336.395 2.001 30 50 EEEA CN(C[C@@H](C#N)CCC#N)C[C@H](c1cccs1)N1CCOCC1 247030480 DDCYNTQHYBOVMI-HZPDHXFCSA-N 332.473 2.497 30 50 EEEA O=S(=O)(/N=C(/c1ccccc1)N1CCOCC1)c1ccccc1 100105380 CCUWHLGKFFJENY-ZCXUNETKSA-N 330.409 2.154 30 50 EEEA COC(=O)[C@H]1CSCCN(C/C(O)=N/Cc2cccc(C)c2)C1 328598499 MHRSEDZABJSXHI-OAHLLOKOSA-N 336.457 2.290 30 50 EEEA N#Cc1c[nH]c(C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328631046 QMLIGBDEWNZWMX-VIFPVBQESA-N 337.305 2.094 30 50 EEEA CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1cccc(C#N)c1 71767361 PKSVUWWDNTUYCS-VKAVYKQESA-N 331.357 2.008 30 50 EEEA N#C[C@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CCN1C1CC1 364432021 GRAHBBSVPRLLBG-SFHVURJKSA-N 348.406 2.058 30 50 EEEA C=CCNCC[C@@H]1CCC(=O)N1Cc1cc(OC)c(OC)c(OC)c1 299779915 RHDZTRZAZINRNY-HNNXBMFYSA-N 348.443 2.369 30 50 EEEA Cn1ncc(C#N)c1NC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 1126215 DFBJMPDGAASCPO-GFCCVEGCSA-N 347.737 2.216 30 50 EEEA Cc1ccc(S(=O)(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 10257349 IYLSHEWUGYHANV-WOJGMQOQSA-N 341.392 2.149 30 50 EEEA C#CCSc1nnc(-c2cccn(Cc3ccccc3)c2=O)n1C 3063629 MXUQYDGSRZBWRP-UHFFFAOYSA-N 336.420 2.417 30 50 EEEA Cc1cnn(C[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)CCO2)c1 161289244 KNJLNTOBLUMBBA-KRWDZBQOSA-N 337.427 2.242 30 50 EEEA CCOc1ccc(NC(=O)NCc2cc(COC)[nH]n2)cc1C#N 96164548 AHKSGADUKSPWQS-UHFFFAOYSA-N 329.360 2.148 30 50 EEEA CN(C)c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 244584389 CYIRFOHUIPKUIU-ZCVDQKGDSA-N 335.407 2.140 30 50 EEEA CCN1C(=O)CC[C@H](CNc2ncccc2C#N)[C@H]1c1cnn(C)c1 952886896 DJTBPQGTBDPOHK-PBHICJAKSA-N 338.415 2.098 30 50 EEEA OCC#Cc1csc(CNCc2noc(-c3cccs3)n2)c1 952978982 MLBDGBHBKOYVQH-UHFFFAOYSA-N 331.422 2.493 30 50 EEEA COc1cc(OC)cc(N2CC[C@@H](Nc3nccnc3C#N)C2)c1 301494503 RUJKHCMIEBSUEF-GFCCVEGCSA-N 325.372 2.056 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](C(=O)OC)[C@H]2C[C@H]3CC[C@H]2C3)N=N1 2325892889 OYIWXKZMRZPGLW-RZLSGREXSA-N 331.416 2.436 30 50 EEEA N#CC1(c2ccccn2)CCN(C(=O)[C@@H](O)C2CCCCC2)CC1 374358654 DUCUGUJATSZLBM-KRWDZBQOSA-N 327.428 2.407 30 50 EEEA CCC#CCN1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77486004 KOAXCWBBGQNZSL-HXUWFJFHSA-N 340.471 2.403 30 50 EEEA C=CCCO[C@H](C)C(=O)N1CC(C)(c2nnc(-c3ccccn3)o2)C1 952891231 CGRNRGLGSCCTDU-CYBMUJFWSA-N 342.399 2.213 30 50 EEEA N#Cc1cccc(NC(=O)CCn2ncc(C(F)(F)F)cc2=O)c1 1875267077 PQENEEHVSADLFM-UHFFFAOYSA-N 336.273 2.163 30 50 EEEA C[C@H](C#N)CN(C)C(=O)[C@@]1(C)CC[C@@]1(C)C(=O)N(C)C[C@H](C)C#N 888095795 YJSLLSJCMYPGRG-DTDBQYNISA-N 332.448 2.029 30 50 EEEA CCn1cncc1CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 888095905 KIJSIMQEFJYKPS-SFHVURJKSA-N 327.407 2.425 30 50 EEEA C[C@@H](O)c1ncc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)s1 241157256 JWEMTLPDHOLLPD-GDBMZVCRSA-N 342.468 2.406 30 50 EEEA Cc1nn(C)c(C)c1OCC(=O)N[C@@H](C#N)c1ccccc1Cl 177134313 FPPBIRNTDSZTST-AWEZNQCLSA-N 332.791 2.450 30 50 EEEA Cc1noc(C)c1CCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 870095674 HGRQBDKWTVSEHO-UHFFFAOYSA-N 338.411 2.445 30 50 EEEA C#CCCC1(CCC(=O)N[C@H](C(=O)OC)[C@H]2C[C@H]3CC[C@H]2C3)N=N1 2325892891 OYIWXKZMRZPGLW-YXWQFLTLSA-N 331.416 2.436 30 50 EEEA Cc1cc(C)n(CC(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c1C#N 4384517 RGLAVOWNRXFBPD-UHFFFAOYSA-N 339.439 2.422 30 50 EEEA N#Cc1cccc(-n2ccc(C(=O)Nc3nc4ccc(F)cn4n3)n2)c1 252498815 RMAOZQSYQQDBOE-UHFFFAOYSA-N 347.313 2.178 30 50 EEEA CC(C)n1cc([C@@]2(O)CCN(c3ccc(C#N)c(Cl)c3)C2)nn1 284480336 IWLHWJJOFIBLFZ-MRXNPFEDSA-N 331.807 2.482 30 50 EEEA C=CCNC(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 1349918899 DATIXKQFTBAFNR-GOSISDBHSA-N 338.448 2.221 30 50 EEEA C=CCC[C@H](CO)NC(=O)CCCc1nc(O)c2ccccc2n1 408520661 QZPFBFZQQXRCRP-CYBMUJFWSA-N 329.400 2.101 30 50 EEEA C=C[C@](C)(CC)C(=O)N1CCC(c2n[nH]c(C(=O)OCC)n2)CC1 277835746 WLHHANWDBCHGNB-QGZVFWFLSA-N 334.420 2.290 30 50 EEEA C=C(C)CN(CC)C(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1 12029806 XFYZCCBSMUAQIM-QGZVFWFLSA-N 335.492 2.182 30 50 EEEA C[C@@H]1CC[C@H](CC/C(O)=N/C2CCN(c3nccn(C)c3=O)CC2)O1 328657032 ZXRSXIWFSLHLBN-UKRRQHHQSA-N 348.447 2.053 30 50 EEEA C#CCCC1(CCNC(=O)Cn2nc(C(F)F)c3c2CCC3)N=N1 1875368787 PPTCIVBVCLRZNZ-UHFFFAOYSA-N 335.358 2.391 30 50 EEEA Cc1cccc2c1OC[C@H](/N=C(/O)N1CC[C@H](c3nccn3C)C1)C2 329756974 YZOYTSHWTUMDDF-JKSUJKDBSA-N 340.427 2.436 30 50 EEEA Cn1cc([C@H](Nc2nc3c(cc2C#N)CCCC3)[C@H]2C[C@H](O)C2)cn1 223186985 SYJIBEQPRSFZCX-RPVQJOFSSA-N 337.427 2.490 30 50 EEEA N#Cc1ccccc1OCC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225681019 CYNIEQLXJUVOCH-IAGOWNOFSA-N 340.354 2.411 30 50 EEEA O=C(C#C[C@@H]1CCCOC1)N1CCN(c2cc(Cl)ccc2O)CC1 2325797019 SNOBARCIRMZCCI-AWEZNQCLSA-N 348.830 2.124 30 50 EEEA CN(C)c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 245309446 CYIRFOHUIPKUIU-NRSGSDFTSA-N 335.407 2.140 30 50 EEEA C=CC[N+](CC)(CC)CCNC(=O)c1c(O)nc2ccccc2c1O 299738319 UWCAWTXJSNHLNF-UHFFFAOYSA-O 344.435 2.418 30 50 EEEA N#Cc1cc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)ccc1F 375168214 UTNQOGDCZJVBGG-LJQANCHMSA-N 335.338 2.433 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)N=N1 952882120 RRSHZCWXUBODKB-UHFFFAOYSA-N 338.411 2.327 30 50 EEEA CN(C)c1ncc2c(n1)[C@@]1(CCCN(c3cc(C#N)ccn3)C1)CC2 2356158912 DUMVMLAGCWNUFW-IBGZPJMESA-N 334.427 2.294 30 50 EEEA C=CCn1c(SCC(N)=O)nnc1-c1cc2cccc(OC)c2o1 8935328 NHLFLSRUYRJFIP-UHFFFAOYSA-N 344.396 2.463 30 50 EEEA O=S1(=O)CC[C@]2(C[C@H](/N=C(/O)c3cc4ccccc4[nH]3)CCO2)C1 329216777 PBEFCIQZTJSDMU-DYVFJYSZSA-N 348.424 2.209 30 50 EEEA N#Cc1ccc2ncc(CN3CC[C@](CO)(c4ccccc4)C3)n2c1 365831607 QEHLBQKNYJJZFU-FQEVSTJZSA-N 332.407 2.342 30 50 EEEA CCN1C[C@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)CC1=O 91626322 FBZZXJOVWGXISD-QGZVFWFLSA-N 325.412 2.133 30 50 EEEA CC[C@H](CC#N)NC(=O)c1conc1C1CN(C(=O)OC(C)(C)C)C1 1776006063 MCSNMFFWTMQCLH-GFCCVEGCSA-N 348.403 2.431 30 50 EEEA C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@](O)(C(F)(F)F)C1 225241042 AXQPRBYBBQKRRZ-ABAIWWIYSA-N 341.333 2.274 30 50 EEEA COc1ccc(N=C(O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)cn1 328640080 XDBTXXRPMVSNAY-GFCCVEGCSA-N 347.375 2.216 30 50 EEEA CN(Cc1cc(C#N)cs1)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 328655048 YADFWVHUVNSKCW-HOTGVXAUSA-N 347.463 2.398 30 50 EEEA CN(C)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccccc2n1 364655019 SOSMNKFNLZIEIK-OAHLLOKOSA-N 349.438 2.113 30 50 EEEA COCCN1CCC[C@@]2(CCN(c3nc(C)c(C)cc3C#N)C2)C1=O 95361587 QPWPEPOABVRYNW-IBGZPJMESA-N 342.443 2.035 30 50 EEEA C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cn(CCN2CCCCC2)nn1 11842601 WNDMYARIUOBJRH-IAGOWNOFSA-N 343.475 2.499 30 50 EEEA CCOC(=O)COc1nc(C)c(Br)c(COC)c1C#N 121451 BGUJCHGAJOTXGD-UHFFFAOYSA-N 343.177 2.113 30 50 EEEA COc1cc(/C=N\n2c(C)nnc2C)cc(Br)c1O 55390897 KHJQRLRAJWZNEE-NSIKDUERSA-N 325.166 2.254 30 50 EEEA C=CCN1CC[C@]2(CCC1=O)CN(Cc1ccncc1C)CCN2C 107414316 YYUZPMVVCAVDTK-HXUWFJFHSA-N 342.487 2.075 30 50 EEEA C[C@@H]1CN(C)c2ccccc2N(CC(=O)N[C@](C)(C#N)C2CC2)C1 242339403 ZHOJBQIPBBEDAW-AUUYWEPGSA-N 326.444 2.387 30 50 EEEA CS(=O)(=O)N(Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 47613825 PJQVMERMMATRIK-UHFFFAOYSA-N 325.393 2.392 30 50 EEEA O=S1(=O)CCC2(CC1)C[C@H]2/C(O)=N/Cc1ccn2ccnc2c1 329569440 UIEFMQHSUUXCLK-ZDUSSCGKSA-N 333.413 2.006 30 50 EEEA CC(C)(C)c1cnc(N/C(O)=N/C[C@@H]2CCCS2(=O)=O)s1 330078154 NMEQRTUMRWIVJD-VIFPVBQESA-N 331.463 2.344 30 50 EEEA CCCN1CC(=O)N([C@H]2CCCN(c3ccccc3C#N)C2)C1=O 372964644 KONVYZPOKVPYKH-HNNXBMFYSA-N 326.400 2.201 30 50 EEEA N#Cc1ccccc1-c1ccc(CN2CC[C@@](O)(c3c[nH]nn3)C2)cc1 284949981 XANNRNONWHCYJI-FQEVSTJZSA-N 345.406 2.437 30 50 EEEA CC1(C)CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1CCO 302521244 IRAHEMYTYXHIDM-UHFFFAOYSA-N 327.350 2.470 30 50 EEEA CCCSc1ncc(CN2CCCn3nc(C#N)cc3C2)cn1 55182760 XYIBYLAGSUFATG-UHFFFAOYSA-N 328.445 2.453 30 50 EEEA Cn1cc([C@H](Nc2nc3c(cc2C#N)CCCC3)[C@H]2C[C@@H](O)C2)cn1 219309352 SYJIBEQPRSFZCX-MZMPZRCHSA-N 337.427 2.490 30 50 EEEA COC1(CN[C@@H]2CCCN(c3ccccc3C#N)C2)CCOCC1 365405930 PWGUDIRVXSDBOX-QGZVFWFLSA-N 329.444 2.312 30 50 EEEA Cn1cc([C@@H](Nc2nc3c(cc2C#N)CCCC3)[C@H]2C[C@H](O)C2)cn1 223186930 SYJIBEQPRSFZCX-XCRHUMRWSA-N 337.427 2.490 30 50 EEEA O=C1CN(Cc2ccc(C#CCO)cc2)CCN1C1CCCCC1 670453861 UMIVDYKOJIFNAP-UHFFFAOYSA-N 326.440 2.007 30 50 EEEA C#CCCC1(CCC(=O)N2CCN(c3ccc(OC)cn3)CC2)N=N1 952882222 SLLANOARJXCPEM-UHFFFAOYSA-N 341.415 2.095 30 50 EEEA C=C(C)CN(CC)C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1nccn1C 888098975 ZEAYMRLJFWYGRO-NVXWUHKLSA-N 344.459 2.287 30 50 EEEA CN(Cc1nccs1)[C@H]1CC12CCN(c1cnc(C#N)cn1)CC2 275609568 ISRPCHAIGIWBIW-AWEZNQCLSA-N 340.456 2.296 30 50 EEEA CCOc1ccccc1/C=N/O[C@H]1CCCN(c2cnn(C)c2)C1=O 170642539 BRGLFLUACHOLET-PBGVMVHZSA-N 342.399 2.365 30 50 EEEA CC1(C)OB(c2cc(Br)cc3c2OCO3)OC1(C)C 169746278 HWZKYYFZYKNIQJ-UHFFFAOYSA-N 326.983 2.477 30 50 EEEA CN1CCN(C2(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CC2)CC1 169810130 ZDQBKDLXCYXXMA-UHFFFAOYSA-N 342.292 2.222 30 50 EEEA COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(O)c1 8743094 BTVHMVLPZJNJGR-HNNXBMFYSA-N 343.335 2.210 30 50 EEEA biogenic C#CCOCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 366983402 VTIZWPXHQWDNKL-ROUUACIJSA-N 346.471 2.199 30 50 EEEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)c2cccc(C#N)c2)cc1 1565509518 DIOHVAYNRPVLPG-OALUTQOASA-N 347.374 2.396 30 50 EEEA Cc1cc(NCCS(C)(=O)=O)n2c(nc3ccccc32)c1C#N 169961336 CSPDETCHSROQQA-UHFFFAOYSA-N 328.397 2.124 30 50 EEEA COC(=O)c1cccc(S(=O)(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1 170594576 YXPFYUQUHNKCJK-BLLLJJGKSA-N 336.413 2.224 30 50 EEEA NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1CCc1ccccc1F 5020327 QFQCGQSDENLCOM-UHFFFAOYSA-N 336.370 2.457 30 50 EEEA C=C(C)CN(CC)C(=O)C[C@H]1C(=O)NCCN1CC1CCCCC1 12029803 XFYZCCBSMUAQIM-KRWDZBQOSA-N 335.492 2.182 30 50 EEEA CC(=O)Nc1cccc(/C(C)=N/NS(=O)(=O)c2ccccc2)c1 12343282 ZSXWHEGROJJGHQ-LDADJPATSA-N 331.397 2.348 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccccc1C 6819986 BKEPXBJNGPWEGT-KFNAQCHYSA-N 327.380 2.251 30 50 EEEA CCCn1cnc2cc(C(=O)O)cc(B3OC(C)(C)C(C)(C)O3)c21 170008563 LDUWPNRRXRKDLJ-UHFFFAOYSA-N 330.193 2.444 30 50 EEEA COC[C@@H](C)NC(=O)[C@H]1CCCN(C(O)=Nc2cccc(C)c2)C1 330599970 GZEWJKRXPKSWKP-CABCVRRESA-N 333.432 2.404 30 50 EEEA CCn1cnnc1[C@@H]1CN(/C(O)=N/[C@@H](C)c2ccc(C)o2)CCO1 328636852 VRVKZKASJPKDFS-JSGCOSHPSA-N 333.392 2.248 30 50 EEEA O/C(N=c1cc[nH]cc1)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328641852 YCSMIHFMZUKMQS-SNVBAGLBSA-N 339.321 2.307 30 50 EEEA O/C(=N/C1CCN(C2CCCCC2)CC1)N[C@H]1CCn2ccnc2C1 330184016 IHSQWHOGDHEFDM-INIZCTEOSA-N 345.491 2.499 30 50 EEEA CCn1c(S)nc2cc(C(=O)N(C)C3(C#N)CCC3)ccc2c1=O 126499285 JTDQVLQGXDMERP-UHFFFAOYSA-N 342.424 2.223 30 50 EEEA CNc1nnc(S[C@@H]2CCN(c3sccc3C#N)C2=O)s1 176935170 XBDZXMNWILZFFB-MRVPVSSYSA-N 337.455 2.411 30 50 EEEA C[C@@H]1Cc2cc(-c3ccc(CN=C4NC[C@@H](CO)N4)cc3)ccc2O1 1875315369 RBIAWDHKCHKJJU-ACJLOTCBSA-N 337.423 2.087 30 50 EEEA Cc1cc([C@H](C)NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)on1 1875302525 UJBKWQLZSLGOOO-ZDUSSCGKSA-N 339.399 2.344 30 50 EEEA Cc1cc([C@@H](C)NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)on1 1875302524 UJBKWQLZSLGOOO-CYBMUJFWSA-N 339.399 2.344 30 50 EEEA Cc1n[nH]cc1C(=O)NC[C@]1(F)C[C@@H](Nc2snc(C)c2C#N)C1 1875407555 CJGDJVXYDDYGDW-AVCCJPFPSA-N 348.407 2.067 30 50 EEEA CC[C@H](/N=C(/O)N1CCO[C@@H](c2nncn2C)C1)c1cccs1 328620102 GRFMXSGHBSJGOB-NWDGAFQWSA-N 335.433 2.315 30 50 EEEA Cc1ccc([C@H](C/N=C(/O)N2CC[C@@](F)(CO)C2)N2CCCC2)cc1 328678056 AXPLMQJMDJBSNW-HKUYNNGSSA-N 349.450 2.452 30 50 EEEA CN(C(=O)c1cc(C#N)c[nH]1)C1CCN(CCc2ccccn2)CC1 177789905 MZAHQHSKMQUVAI-UHFFFAOYSA-N 337.427 2.060 30 50 EEEA C[C@@H]1CC[C@H](CS(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1875297860 GJYXKBKAVFRUPU-YCPHGPKFSA-N 349.456 2.172 30 50 EEEA C=CCN(CC=C)C(=O)CN1CCN(C(C)=O)C2(CCCCC2)C1 270932181 WZRRKLHJJUWXRT-UHFFFAOYSA-N 333.476 2.054 30 50 EEEA C=CCN1C[C@@H](C(=O)Nc2ccc(Cl)c(C(=O)NCC)c2)CC1=O 952961120 LSTLJXLJORCHOP-NSHDSACASA-N 349.818 2.063 30 50 EEEA C=C(C)C(C)(C)C(=O)N1CCC(O)(C(F)(F)C(=O)OCC)CC1 1775994111 UNGCMYRWFGDTCX-UHFFFAOYSA-N 333.375 2.141 30 50 EEEA Cc1c(CN2CCCN(C(=O)c3ccco3)CC2)cc(C#N)n1C 1775981594 GRIVLVHCHWZHHI-UHFFFAOYSA-N 326.400 2.146 30 50 EEEA COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])o1 19810873 WWTVPUGEDOBCAH-OAHLLOKOSA-N 332.312 2.329 30 50 EEEA Cc1cc(C)c(C#N)c(N2CCc3nc(-c4cccnc4)nn3CC2)n1 2356164490 VEAVLPNZKNOPIU-UHFFFAOYSA-N 345.410 2.286 30 50 EEEA C=CCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 6743457 MCOWUZXMKXMUQD-UHFFFAOYSA-N 336.457 2.331 30 50 EEEA C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2nnc3ccccn23)C1 65372224 SGTCWGKXTOJWHN-MRXNPFEDSA-N 339.443 2.109 30 50 EEEA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2cc(C#N)oc2C)c1 282516435 OIPBKGKIMOZBKR-DYVFJYSZSA-N 326.352 2.416 30 50 EEEA Cn1ccnc1-c1nnc(NCc2ccc(F)c(C#N)c2Cl)o1 365820047 LOLAVCZMQUQHBP-UHFFFAOYSA-N 332.726 2.746 30 50 EEEA C=CCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1ccccn1 17071652 FKCWWTDCCYIQIX-UHFFFAOYSA-N 343.372 2.381 30 50 EEEA C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](C)Oc1cccc(Cl)c1 281709898 CSDFTMAHDZYFQV-NWDGAFQWSA-N 345.852 2.033 30 50 EEEA CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2C#N)C(=O)N1CC 13427599 CIALLNFFNNQVLC-VDMFXUGISA-N 330.413 2.227 30 50 EEEA N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1 4682082 ROTXYLNJLSOPLJ-UHFFFAOYSA-N 327.365 2.261 30 50 EEEA Cc1ccc(S(=O)(=O)N/C(=N\[C@H](C)C(=O)O)c2ccccc2)cc1 6245193 DGRGXXXHTORCTD-CYBMUJFWSA-N 346.408 2.193 30 50 EEEA CCN1C(=O)/C(=C/c2ccc(Cl)nc2)SC1=Nn1cnnc1 252428360 ZQXUZSJKVIQLMP-CJWGJNLSSA-N 334.792 2.082 30 50 EEEA C=CCN1C[C@H](C(=O)Nc2cccc(CN3CCCC3)c2)CC1=O 952961085 IGKSDFHQMGPIHL-MRXNPFEDSA-N 327.428 2.255 30 50 EEEA Cc1nnc(N2CC[C@H](OCc3c(C)noc3C)C2)c(C#N)c1C 302139766 GHKJYMIOZKYONQ-AWEZNQCLSA-N 327.388 2.365 30 50 EEEA C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccnc(-n2cccn2)c1 170605835 FFLCWPQGGJUYNV-CQSZACIVSA-N 347.378 2.223 30 50 EEEA C=CCc1cc(OC)ccc1OCCSc1nc(N)cc(=O)[nH]1 16527069 LWISCXURSQZTBB-UHFFFAOYSA-N 333.413 2.260 30 50 EEEA CC(C)(C)OC(=O)N1CCN([C@H](C(=O)O)c2cccc(C#N)c2)CC1 4241822 RPXHJMPXOXMYHN-HNNXBMFYSA-N 345.399 2.237 30 50 EEEA C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)CC(=O)N2 4944212 KNMNRFLYYQUELH-SNVBAGLBSA-N 329.356 2.108 30 50 EEEA O=S1(=O)CCC[C@H](/N=C(/O)[C@@H]2CCN(c3ccccc3F)C2)C1 329443355 BWNHRDAPVXAFEY-OLZOCXBDSA-N 340.420 2.186 30 50 EEEA CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)c1cccc(SCC#N)c1 241862521 SQVAWMOCFPKNDO-HIFRSBDPSA-N 336.457 2.190 30 50 EEEA Cc1cnn(C[C@H]2CN(c3nc4c(cc3C#N)CCCC4)CCO2)c1 161289396 KNJLNTOBLUMBBA-QGZVFWFLSA-N 337.427 2.242 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H](O)C1CCCCC1)CC2 91350791 FHSGCLOGNVQCJC-GOSISDBHSA-N 348.487 2.345 30 50 EEEA COc1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)sn1 863948337 LJRGRQPEHSEUJO-UHFFFAOYSA-N 328.397 2.438 30 50 EEEA N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1 5020920 JPQGUBYOGIXTQV-UHFFFAOYSA-N 327.365 2.261 30 50 EEEA C=CCN1C[C@@H](C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC1=O 11814592 KQXKCXCPPGJCBW-HNNXBMFYSA-N 325.412 2.435 30 50 EEEA COC(=O)c1cc(C#N)c(N(C)[C@H]2C[C@H]3C[C@@H](O)C[C@H]3C2)nc1C 2100537939 YCIKOEZUDRIFRM-CUFDPUGPSA-N 329.400 2.034 30 50 EEEA CC(=O)NC1CC([C@@H]2CCN(C(=O)c3cccc(F)c3C#N)C2)C1 2325848250 CGAYWZCXRNWDRF-IYXRBSQSSA-N 329.375 2.074 30 50 EEEA C#CCCC1(CCC(=O)N2CC(n3cnc4ccccc4c3=O)C2)N=N1 2325886653 DNGXESNIXYOJQF-UHFFFAOYSA-N 349.394 2.136 30 50 EEEA Cc1nn(C)cc1[C@@H]1CCCN1CC(=O)NCc1cccc(C#N)c1 366098679 WKDATVUSXHFDKL-SFHVURJKSA-N 337.427 2.054 30 50 EEEA COc1ccc(CNC2(C#N)CN(C(=O)OC(C)(C)C)C2)c(OC)c1 329780337 BJDLYJRUGUGVLH-UHFFFAOYSA-N 347.415 2.306 30 50 EEEA C=CC[C@]1(CO)CCCN(C2CCN(C(=O)c3ccccn3)CC2)C1 92097443 TXPBHMMPPLCMTB-FQEVSTJZSA-N 343.471 2.337 30 50 EEEA N#Cc1ccc(NC(=O)NC2CCN(Cc3ccco3)CC2)cn1 299787375 QJFFAYPUWSRHGA-UHFFFAOYSA-N 325.372 2.332 30 50 EEEA C#CCCCS(=O)(=O)N1CC(C)(C)[C@@H]1c1nccn1CC1CC1 952892620 FMBVJIXSWQZHHA-HNNXBMFYSA-N 335.473 2.419 30 50 EEEA COCCn1cc([C@H]2OCC[C@@H]2NCc2ccc(F)c(C#N)c2)cn1 888076714 MGGWPBSXLCNCDK-ZWKOTPCHSA-N 344.390 2.160 30 50 EEEA C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC(=O)N1 1362866156 BXVXFFQGMDZIDT-ZDUSSCGKSA-N 334.379 2.262 30 50 EEEA CCN(CC)C(=O)CSc1n[nH]c(N/N=C/c2ccc(C)o2)n1 7263519 UKDWICPVQKSLGF-OVCLIPMQSA-N 336.421 2.113 30 50 EEEA CN(CCC1CCOCC1)S(=O)(=O)c1ccc(F)c(C#N)c1 127247256 HQXHUOQCSHTAMU-UHFFFAOYSA-N 326.393 2.135 30 50 EEEA CN1CCO[C@H]([C@H](Nc2cnc(C#N)cn2)c2ccc(Cl)cc2)C1 128752248 IDSHYOSKGHINLZ-DOTOQJQBSA-N 343.818 2.485 30 50 EEEA CNC(=O)c1ccn([C@@H]2CCCN(c3nccc(C#N)c3Cl)C2)n1 252508482 XNWZEZRPSRBWNX-GFCCVEGCSA-N 344.806 2.004 30 50 EEEA C=CCOc1cccc(CN(CC)C(=O)[C@@H]2CCCN2C(N)=O)c1 55392888 GPWNSCJTRGXEDV-INIZCTEOSA-N 331.416 2.143 30 50 EEEA Cc1nc2n(n1)CCN(c1c(C#N)cnc3c(F)c(F)c(F)cc13)C2 288343288 JWQJVBKAIBJOIU-UHFFFAOYSA-N 344.300 2.444 30 50 EEEA N#C[C@@]12C3=NC(=N)[C@@]1(C#N)[C@H]1CCCC[C@@]1(O3)O[C@H]2c1ccncc1 245245716 GICZAEKCMQBQEG-WIZAYZPVSA-N 333.351 2.479 30 50 EEEA Cc1snc(S(=O)(=O)/C(C#N)=N\Nc2ccccc2)c1C#N 12953477 COSPWTAAFRFUFT-ATVHPVEESA-N 331.382 2.046 30 50 EEEA C#C[C@]1(O)CCC[C@H](NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 2325782395 WALZTKOFSVXIBG-DZKIICNBSA-N 342.222 2.450 30 50 EEEA C#CCCC1(CCC(=O)N2CCC(c3ocnc3C(=O)O)CC2)N=N1 2325900799 JOWDLRUMVPHPOZ-UHFFFAOYSA-N 344.371 2.435 30 50 EEEA COc1cccc(CN2CCN(C(=O)c3ccccc3C#N)CC2=O)c1 77358491 BPAVUHABOTZZCJ-UHFFFAOYSA-N 349.390 2.051 30 50 EEEA N#Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)cn1 219357771 QIXULVUJIXWEPB-SJORKVTESA-N 341.342 2.059 30 50 EEEA N#Cc1nccnc1N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 1057161563 CPNIRDMDCUTMDW-DLBZAZTESA-N 347.422 2.191 30 50 EEEA CCN/C(=N/Cc1cccc(C(=O)N[C@H](C)CC)c1)N1CCOCC1 170621538 NSWDZPONDIJVBB-OAHLLOKOSA-N 346.475 2.013 30 50 EEEA CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1-n1ncc(C#N)c1N 408522299 HCTJSXVSYROKBT-CJNGLKHVSA-N 339.399 2.326 30 50 EEEA N#Cc1c(-n2cccc2/C=N/NC(N)=S)sc2c1CCCC2 68023 OUFZEWRFDKATDT-GIJQJNRQSA-N 329.454 2.456 30 50 EEEA CCOc1ccc(-c2nc(C#N)c(NCCN3CCOCC3)o2)cc1 20149954 AFXNQOWUUVZFSY-UHFFFAOYSA-N 342.399 2.356 30 50 EEEA COc1cccc2c1CCCCN2C(=O)[C@H](C)n1cnc(C#N)n1 360245406 OFGMBEPOZZBUHU-LBPRGKRZSA-N 325.372 2.089 30 50 EEEA N#C[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccccc1Cl 253418505 TUTDZZXEPZFYMY-CYBMUJFWSA-N 342.742 2.061 30 50 EEEA Cc1cc(N2CCN(c3ncccc3C#N)CC2)n2nc(C)c(C)c2n1 72427387 JLNMLTSSDAXGJP-UHFFFAOYSA-N 347.426 2.248 30 50 EEEA N#Cc1cccnc1N1CCC(Nc2cc([C@H]3C[C@H](N)C3)ncn2)CC1 243901439 BBLWPVHLMKYHFB-SHTZXODSSA-N 349.442 2.029 30 50 EEEA C=CCN(Cc1ccsc1)S(=O)(=O)N1CCC[C@H](COC)C1 952961202 XFVVKPNZUAULFK-AWEZNQCLSA-N 344.502 2.339 30 50 EEEA C[C@@H]1CN(Cc2cccnc2)CCN1C(=O)c1ccc(C#N)c(O)c1 225498510 GIZJQGDOQGXIQN-CQSZACIVSA-N 336.395 2.005 30 50 EEEA Cn1c(CS(=O)(=O)CCCC#N)nnc1-c1ccc(Cl)cc1 190950993 IMZRYZJMQKNVPU-UHFFFAOYSA-N 338.820 2.354 30 50 EEEA CC1(C)OB(c2cccc(B3OC(C)(C)C(C)(C)O3)c2F)OC1(C)C 169978539 DEPWOJJYAWMASQ-UHFFFAOYSA-N 348.032 2.424 30 50 EEEA N#Cc1cnn2c(=O)nc(SC[C@@H]3CC[C@H]4[C@@H](C3)C4(F)F)[nH]c12 2325783528 DPKRAYJFNHVEJE-FKTZTGRPSA-N 337.355 2.063 30 50 EEEA CN(C(=O)CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)C1(C#N)CCCCC1 330676161 KCQFPPWAXFHJKM-TZMCWYRMSA-N 347.381 2.059 30 50 EEEA C[C@@H]1CN([C@@H](C/N=C(\N)Nc2ccccn2)c2cccs2)CCO1 178423539 JVAAXWPDKFUHFP-KGLIPLIRSA-N 345.472 2.332 30 50 EEEA COCCN1CCC(CN(C)C(=O)NCc2ccc(C#N)cc2)CC1 534675320 IPUKXSPLPDDHPJ-UHFFFAOYSA-N 344.459 2.058 30 50 EEEA CN(Cc1cc(C#N)ccn1)CC1(N2CCOCC2)CCCCC1 299790885 CTMNNFADQWYEJS-UHFFFAOYSA-N 328.460 2.420 30 50 EEEA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(C(=O)c2cc(C#N)oc2C)C1 888103426 ZUROQWKCTWLWRE-HIFRSBDPSA-N 328.372 2.402 30 50 EEEA CC[C@@H](CC#N)NC(=O)c1noc(C)c1I 1776005653 HEYNLFVWQFGWDZ-ZETCQYMHSA-N 333.129 2.010 30 50 EEEA Cc1c(Cl)cnc(N2CCN(C(=O)c3ccco3)CC2)c1C#N 253419357 PYXCLEWSDMSRJE-UHFFFAOYSA-N 330.775 2.471 30 50 EEEA C=CCn1c(Cc2ccc(OCC)cc2)nnc1SCC(N)=O 2861552 CWMLLNPJRQCYDR-UHFFFAOYSA-N 332.429 2.031 30 50 EEEA CC(C)n1cc([C@]2(O)CCCN(Cc3cc(C#N)ccc3F)C2)nn1 284524062 FROPUFPICDHDQN-SFHVURJKSA-N 343.406 2.353 30 50 EEEA Cc1nc(C)n(C[C@H]2CCCN(c3ccc(C#N)cc3CO)C2)n1 874435454 SYRMRXNHPVYVMV-INIZCTEOSA-N 325.416 2.176 30 50 EEEA N#Cc1ccc(Cl)cc1N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952890045 NFRVMKKLQCIVIR-JKSUJKDBSA-N 333.819 2.461 30 50 EEEA CCn1cncc1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 888095899 KIJSIMQEFJYKPS-GOSISDBHSA-N 327.407 2.425 30 50 EEEA COC(=O)c1ccc(NCC[C@@H](C)NC(=O)OC(C)(C)C)c(C#N)n1 408524320 ZLLNEZHOORZXSH-LLVKDONJSA-N 348.403 2.455 30 50 EEEA Cc1ccc(C#N)c(N2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)n1 818144633 FDWCJVLQOXMUAT-SFHVURJKSA-N 339.399 2.096 30 50 EEEA C#CCCC1(CCNC(=O)[C@H]2OCCc3c(C(=O)O)cccc32)N=N1 2325900676 FPIJCGGDTURKGQ-HNNXBMFYSA-N 341.367 2.080 30 50 EEEA Cc1c(C(C)C)nc(N)c(C#N)c1-c1cnc(N2CCOCC2)nc1 71752675 VGVPPLGOFDQNAR-UHFFFAOYSA-N 338.415 2.261 30 50 EEEA N#Cc1c[nH]c(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 346835039 UFYDPLMFSVGVAS-JTQLQIEISA-N 346.749 2.214 30 50 EEEA CCC[C@@H]1CN(/C(O)=N/[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)CCO1 330492791 QAFRALDNHQIQOX-BZUAXINKSA-N 339.480 2.485 30 50 EEEA CC1(C)O[C@]12[C@H]1CC[C@H]2[C@H](CS(=O)(=O)c2ccccc2)[C@H]1CO 257359290 ZKAIDFYGPWHNAL-LFRCEIEQSA-N 336.453 2.272 30 50 EEEA COC(=O)[C@H](CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 757122218 DYJYKMFLOJWHRL-JTQLQIEISA-N 329.202 2.145 30 50 EEEA COc1cc(C#N)ccc1CN[C@@H]1CCC[C@@H]1N1CC[C@@H](OC)C1 886082485 FWKWBWNCESWDPL-KURKYZTESA-N 329.444 2.298 30 50 EEEA CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H]1c1nc2c([nH]1)CCCC2 275506123 ARLHNPOOEUTIFO-YOEHRIQHSA-N 343.475 2.434 30 50 EEEA Cc1ncsc1CN1C[C@@H](F)C[C@H]1CN(C)c1nccnc1C#N 275565829 XAPLLEHJYLTEHA-STQMWFEESA-N 346.435 2.162 30 50 EEEA C=C(C)CS(=O)(=O)NCCc1nc(-c2cccc(Cl)c2)no1 189622195 BPTZBUDTXUUHGO-UHFFFAOYSA-N 341.820 2.428 30 50 EEEA C=CCNS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 16647524 FRNYYNYHVGSLRW-UHFFFAOYSA-N 340.470 2.109 30 50 EEEA Cn1ncc(C#N)c1NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 1126217 DFBJMPDGAASCPO-LBPRGKRZSA-N 347.737 2.216 30 50 EEEA CC#CCn1c(=O)n(C[C@@H]2CCCN2CC)c2ccc(C(=O)O)cc21 55283532 ASXZXUHXLIAGJD-HNNXBMFYSA-N 341.411 2.009 30 50 EEEA CN(C)c1ncccc1O[C@H]1CCN(/C(O)=N/Cc2cscn2)C1 328617899 DEHBAYIEYYRFFA-ZDUSSCGKSA-N 347.444 2.171 30 50 EEEA N#CC1(NC(=O)[C@H]2C[C@@]23CCOC3)CCN(Cc2ccccc2)CC1 332893219 JZGNUKISMQHNNO-IEBWSBKVSA-N 339.439 2.088 30 50 EEEA CC(C)n1cc([C@]2(O)CCN(c3c(C#N)cnc4ccccc34)C2)nn1 284409966 BYJVLFGPTILLEZ-IBGZPJMESA-N 348.410 2.377 30 50 EEEA CN1CCN(c2ccc(-c3ccc(C#N)c(=O)[nH]3)cc2Cl)CC1 71769240 AFMMBHUVSRFQAC-UHFFFAOYSA-N 328.803 2.319 30 50 EEEA CCN1CC2(CCC1=O)CCN(c1ccnc(OC)c1C#N)CC2 91626037 UUDGZQQACQYHQV-UHFFFAOYSA-N 328.416 2.191 30 50 EEEA N#Cc1ccc(NCCC(=O)N2CCN(c3ccccc3)CC2)nc1 299470251 GIEGLPBUJHKPCM-UHFFFAOYSA-N 335.411 2.104 30 50 EEEA NC(=O)/C(=N/O)c1nc(-c2ccc(Br)cc2)cs1 15822282 MPDAZROITWSXCC-DHDCSXOGSA-N 326.175 2.236 30 50 EEEA C=CCOc1ccc(CN2C[C@H]3COCC[C@@]3(C(=O)O)C2)cc1OC 1609459988 BWNOWPWOEHGOON-HNAYVOBHSA-N 347.411 2.183 30 50 EEEA O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c([nH]c(=O)[nH]c1=O)N2 4263347 ZTMKPNCPEMFGJR-GFCCVEGCSA-N 343.770 2.281 30 50 EEEA Cc1cc(C)nc(N=C(O)c2cccc(N3CCCS3(=O)=O)c2)n1 329224446 ZRGYFTFHDAPEQZ-UHFFFAOYSA-N 346.412 2.270 30 50 EEEA C#CCCC1(CCC(=O)NCCc2nc3c(s2)COCC3)N=N1 2325892375 LHPNCKXKSYBUEM-UHFFFAOYSA-N 332.429 2.230 30 50 EEEA CCCc1nc(CN2CCN(c3nccnc3C#N)C[C@@H]2C)cs1 155499650 CHYOJXSSKIBZKB-ZDUSSCGKSA-N 342.472 2.468 30 50 EEEA COC(=O)c1ccc(CN2CCO[C@H](c3cccc(C#N)c3)C2)nc1 367226669 XNLKGHYWGUOGEK-SFHVURJKSA-N 337.379 2.313 30 50 EEEA CO[C@@]1(C(O)=Nc2cnc3c(Br)cccn23)CCOC1 329197669 VKTPWNNZZJCFBR-ZDUSSCGKSA-N 340.177 2.490 30 50 EEEA CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)NCCc1cccc(C#N)c1 374273986 PCSDAMNLABNIIU-QZTJIDSGSA-N 326.444 2.369 30 50 EEEA C[C@@H](C(=O)N=c1ccn(-c2ccc(C#N)cc2F)[nH]1)[C@H]1CCCO1 1875270754 NBFRROSYSOKKCK-IAQYHMDHSA-N 328.347 2.059 30 50 EEEA C=CCN1C(=O)N[C@H]2C[C@@]1(c1ccn(C)n1)Oc1cccc(F)c12 1875298591 GXXQGMXCIDZETO-SJCJKPOMSA-N 328.347 2.447 30 50 EEEA CC(=O)N1C[C@H](Nc2nnc(C)c(C)c2C#N)CC[C@@H]1C(F)(F)F 886097348 VLVFUWKPHRQUDP-DGCLKSJQSA-N 341.337 2.319 30 50 EEEA C/N=C(/NC[C@H]1CCCN(C)C1)N[C@@H]1CCCN(c2ccccc2)C1 86909813 MZFYEAOBIAXZSS-QZTJIDSGSA-N 343.519 2.162 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc3c(c2)C=CS3(=O)=O)N=N1 2325887356 KFKYKLXLRKWASM-UHFFFAOYSA-N 329.381 2.140 30 50 EEEA CCn1ncc(/C=N\NS(=O)(=O)c2ccc(Cl)cc2)c1C 13111698 LGDGAMCAHXRCNG-NVNXTCNLSA-N 326.809 2.177 30 50 EEEA N#Cc1ccc(CN2C[C@H](CO)[C@H](CN3CCCCCC3)C2)cc1 92099267 XAOCXJHNIMVCOP-WOJBJXKFSA-N 327.472 2.475 30 50 EEEA Cc1n[nH]c(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)c1C#N 194667283 CXFLYWRRLWKIFY-UHFFFAOYSA-N 328.756 2.324 30 50 EEEA COc1cc(/C=N/n2c(S)nnc2-c2ccccn2)ccc1O 1249907 CGONAPCVVKNSPB-RQZCQDPDSA-N 327.369 2.225 30 50 EEEA C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCC1CC1)C2 19595064 GOHMKCMIIPPOEK-OAHLLOKOSA-N 328.460 2.162 30 50 EEEA CCc1nc(SCC(=O)Nc2ccc(F)cc2)[nH]c(=O)c1C#N 5238954 MJYQECJQSNIKAE-UHFFFAOYSA-N 332.360 2.074 30 50 EEEA N#Cc1ccccc1S(=O)(=O)N1C[C@@H](C#N)[C@H](c2ccccc2)C1 366297258 NOWXWRZQRPFBOI-SJORKVTESA-N 337.404 2.486 30 50 EEEA CN(C(=O)CSCC(=N)O)[C@@H](C/N=C(/O)OC(C)(C)C)C1CC1 328595464 VRPNJQSHXOGDIS-NSHDSACASA-N 345.465 2.221 30 50 EEEA Cc1cc(C2CC2)nc(N=C(O)[C@H]2CC23CCS(=O)(=O)CC3)n1 329748928 FVAHLQLLNJKLHG-GFCCVEGCSA-N 335.429 2.465 30 50 EEEA N#CC1(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)CCSCC1 162439164 HXGYCBBUYBIMGV-AWEZNQCLSA-N 343.452 2.483 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H](C)n1cc(C)cn1)CC2 91933169 VFNZDBOSKPXIPK-MRXNPFEDSA-N 344.459 2.170 30 50 EEEA C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N1CC[C@H](C#N)C1 1875268080 NNYJQBAXZUNMIN-VXGBXAGGSA-N 342.424 2.329 30 50 EEEA O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)[C@@H]1CO1 1875372567 IKOROBSMYVFXEB-HOTGVXAUSA-N 328.437 2.363 30 50 EEEA COc1cc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)ccc1O 117093 ODHAACMCYRPXDM-RQZCQDPDSA-N 348.428 2.254 30 50 EEEA CCN(CC)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 218597140 BSPJMPZEIYEXCV-UHFFFAOYSA-N 339.266 2.016 30 50 EEEA C[C@H](/C(O)=N/CCNc1ncnc2ccc([N+](=O)[O-])cc12)C1CC1 328593352 AERGCBMJRTZUAY-JTQLQIEISA-N 329.360 2.953 30 50 EEEA O/C(=N/C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)NC1CCOCC1 328627170 MNERCTWWEXELFY-JTQLQIEISA-N 346.353 2.147 30 50 EEEA CC(C)CCNS(=O)(=O)c1ccc(C#N)cc1NCc1cc[nH]n1 1775985732 STDZJWFROFKYEZ-UHFFFAOYSA-N 347.444 2.218 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2)o1 1506396750 KEHIEZJBQJHOFF-HNNXBMFYSA-N 331.343 2.005 30 50 EEEA CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(C)c(F)c(C(=O)O)c1 127624397 QHRZCSVFDWVGLJ-VIFPVBQESA-N 328.365 2.003 30 50 EEEA C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1C(=O)C1CCC(O)CC1 252508832 XVEBISRQOKXJIW-VNCLNFNDSA-N 341.455 2.142 30 50 EEEA COc1ncc(-c2cc(-c3c(C)nn(C)c3C)nc(N)c2C#N)cn1 71762713 VSBLSBMIBLNCPV-UHFFFAOYSA-N 335.371 2.018 30 50 EEEA N#C[C@H]1COCCN1C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 366002199 BKIRUDLYBYYKBR-ZDUSSCGKSA-N 346.774 2.074 30 50 EEEA Cc1nn(C)c(C)c1OCC(=O)N[C@H](C#N)c1ccccc1Cl 177134331 FPPBIRNTDSZTST-CQSZACIVSA-N 332.791 2.450 30 50 EEEA C[C@H](C(=O)N=c1ccn(-c2ccc(C#N)cc2F)[nH]1)[C@@H]1CCCO1 1875270755 NBFRROSYSOKKCK-NHYWBVRUSA-N 328.347 2.059 30 50 EEEA C[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc23)C[C@@H](CO)O1 302738714 BXHFZSUBLQJEHJ-MFKMUULPSA-N 349.337 2.294 30 50 EEEA Cc1cc(C)c(N2CC[C@@H](NC(=O)CSCC#N)C2=O)c(C)c1 189918453 JQHGHZBGTZJVQV-CQSZACIVSA-N 331.441 2.090 30 50 EEEA C=CCNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 5092301 QISOJEYWVZSJIY-SDNWHVSQSA-N 341.323 2.261 30 50 EEEA C=CCCC(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21 15072377 WAVZYPZOVJOOGB-INIZCTEOSA-N 344.459 2.145 30 50 EEEA CCC(CC)n1ncc(/C(O)=N/C[C@H](CO)Cc2cnn(C)c2)c1C 328593550 IDFZNGARMSISSS-OAHLLOKOSA-N 347.463 2.442 30 50 EEEA C/C(O)=N/CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 328589276 MZEUTOVYAMWBRI-UHFFFAOYSA-N 342.277 2.462 30 50 EEEA COc1cc(C=NNc2nc3ccccc3n3cnnc23)ccc1O 252678349 FFNZTSJHQQBFLS-UHFFFAOYSA-N 334.339 2.438 30 50 EEEA C#CCNc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 1155654402 SIUJTEWADHUSHR-UHFFFAOYSA-N 338.392 2.476 30 50 EEEA CN(C)c1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)cn1 71297231 WSIJRXIPZPBNGU-DOMZBBRYSA-N 334.427 2.355 30 50 EEEA 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50 EEEA COc1ccc(CNC[C@@H]2CCO[C@H]2c2cnn(C)c2)cc1C#N 840962922 ODLGULHSGAUDIX-KBXCAEBGSA-N 326.400 2.168 30 50 EEEA NC(=O)/C(=N\O)c1nc(-c2ccc(Br)cc2)cs1 100746516 MPDAZROITWSXCC-OQLLNIDSSA-N 326.175 2.236 30 50 EEEA Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cccc(C#N)c2)on1 347293252 PGHYMQBZQDSAAA-HOTGVXAUSA-N 342.374 2.197 30 50 EEEA C[C@@H](c1cccc(C#N)c1)N1CCC(N2CCCS2(=O)=O)CC1 334035782 NGBAKOHFZYIXCZ-AWEZNQCLSA-N 333.457 2.119 30 50 EEEA CCn1nc2c(c1C(=O)NCc1cncc(C#N)c1)C[C@H](C)O[C@@H]2C 1875314313 REYRHDYQEHFGOL-NWDGAFQWSA-N 339.399 2.122 30 50 EEEA N#Cc1cc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)ccc1F 276311901 MNPDLBUCEFTWIR-DLBZAZTESA-N 329.379 2.055 30 50 EEEA C[C@H]1CCNC(=O)[C@H]1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 194083483 WEVAIHXMJHXFEV-UFBFGSQYSA-N 340.305 2.223 30 50 EEEA C[C@H]1CN(C)c2ccccc2CN1C(=O)C(=O)Nc1ccc(C#N)cc1 119611655 SZSGOFGKGURSCF-AWEZNQCLSA-N 348.406 2.364 30 50 EEEA CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)[C@@H]1CCCc2ccccc21 328768511 BSIYYRPZAPRFLI-GDBMZVCRSA-N 336.457 2.487 30 50 EEEA CC(C)CN1CCN(/C(O)=N/[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@@H](C)C1=O 330201833 YKIGWMJNUXXHJB-HNONPPJISA-N 341.455 2.427 30 50 EEEA N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 368864252 ALOHOAZCYYRDMT-ZWKOTPCHSA-N 332.407 2.406 30 50 EEEA N#C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)cc3c2CCCC3)C1 907098215 XAJUTBSZKYFFNB-LBPRGKRZSA-N 348.424 2.188 30 50 EEEA CC(C)c1nc(CN(C)[C@H]2CCN(C(O)=Nc3cccnc3)C2)no1 328588090 SOXSCIXBBHOMNK-AWEZNQCLSA-N 344.419 2.340 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 275225091 IVGZIWXYZGEKJZ-MQMHXKEQSA-N 336.413 2.036 30 50 EEEA Cc1nc(C(=O)N2CCC[C@@]2(CO)Cc2ccccc2)ccc1C#N 365145675 ASJVBCVNXACKHT-FQEVSTJZSA-N 335.407 2.472 30 50 EEEA C=CCNS(=O)(=O)c1ccc(I)c(C)c1 231416948 WVCQRBQZCMTLMJ-UHFFFAOYSA-N 337.182 2.064 30 50 EEEA CCOc1cc(/C=N/C(=S)Nc2nc(C)cc(O)n2)ccc1O 95851129 JQEFNLWQZRMZSD-LZYBPNLTSA-N 332.385 2.411 30 50 EEEA Cc1cc(N2CC[C@@H](Oc3ccnc(CN(C)C)c3)C2)c(C#N)cn1 886079566 FTRQRHCZOGIJOZ-GOSISDBHSA-N 337.427 2.376 30 50 EEEA C=CCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1 19871804 WWCWXLCJUMTDDQ-UHFFFAOYSA-N 346.452 2.231 30 50 EEEA C=CCN1CCC(Nc2ccc3nnc(-c4ccccn4)n3n2)CC1 1120021321 RHNYGZZTBAMTSC-UHFFFAOYSA-N 335.415 2.249 30 50 EEEA CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2sccc2C#N)C1 328631681 RHBRJTQZRLSPER-ZDUSSCGKSA-N 342.424 2.374 30 50 EEEA Cc1cccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)c1C#N 131544360 FXYRHUMADBMGEE-UHFFFAOYSA-N 330.365 2.390 30 50 EEEA N#Cc1cccc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCCO)C2)c1 72423502 SBWPUAHXAUTUNP-RBUKOAKNSA-N 341.455 2.144 30 50 EEEA N#Cc1cccc(CN2CCn3nc(CNc4ncccn4)cc3C2)c1 299783909 VMZQFUCDPLCDTB-UHFFFAOYSA-N 345.410 2.173 30 50 EEEA N#C[C@H](NC(=O)C[C@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 827030284 JZDGIHWZLGSTCD-NEPJUHHUSA-N 325.290 2.055 30 50 EEEA C#CCCC1(CCNC(=O)c2cc(F)c(C(=O)OC)cc2F)N=N1 2325891572 ORUPXEZBWUCJIL-UHFFFAOYSA-N 335.310 2.447 30 50 EEEA CC/N=C(/NCCOC)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 252512173 NOXGRIVEAKWMSG-GOEBONIOSA-N 338.521 2.333 30 50 EEEA COc1cc(C#N)ccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 366445993 WTASGMQZFZZUMV-QGZVFWFLSA-N 334.379 2.487 30 50 EEEA N#Cc1cccnc1N1CC[C@H](c2cc(O)nc(N3CCCC3)n2)C1 864314014 DZUKCELZEGPSKQ-AWEZNQCLSA-N 336.399 2.043 30 50 EEEA CCN1C(=O)CC[C@H](CNc2cnccc2C#N)[C@H]1c1nccn1C 952852516 DIKBDKQXHKOYMF-PBHICJAKSA-N 338.415 2.098 30 50 EEEA Cc1ncc(-c2ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc2)o1 190157153 DUPUIMVXCWYJOH-LLVKDONJSA-N 326.356 2.349 30 50 EEEA Cc1cc(=O)n(CC(=O)Nc2ccc(C#N)cc2)cc1Br 193097709 OJOLOWXWSLMTPB-UHFFFAOYSA-N 346.184 2.430 30 50 EEEA CCCCCCCCNC(=O)N1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772712619 WMHFKVKSKJKXGA-PBHICJAKSA-N 326.437 2.480 30 50 EEEA O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c([nH]c(=O)[nH]c1=O)N2 4263346 ZTMKPNCPEMFGJR-LBPRGKRZSA-N 343.770 2.281 30 50 EEEA Cc1cccc2c1OC[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C2 329801097 YOIGAGWRCHYICV-OAHLLOKOSA-N 334.441 2.302 30 50 EEEA COC(=O)[C@H](/N=C(/O)c1cnn2c1CCCC2)c1cccc(O)c1 328587020 XEZFXBZJKFVKDE-OAHLLOKOSA-N 329.356 2.144 30 50 EEEA CC[C@H](CC#N)NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 343856759 UNZGLXZWBMZRSP-SECBINFHSA-N 346.372 2.286 30 50 EEEA Cc1ccc(S(=O)(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)c(C)c1 17072525 XLCXDJXESAADMR-SXGWCWSVSA-N 349.368 2.230 30 50 EEEA Cc1cc(C)nc(/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)n1 54201842 RWHZKZZERDEIMM-UHFFFAOYSA-N 328.395 2.001 30 50 EEEA Cc1cc(C)c(C#N)c(N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)n1 284505566 KRUBXSFTFQPSBH-HNNXBMFYSA-N 338.415 2.324 30 50 EEEA COc1ccc([C@H](C)CC/N=C(/O)N2CCN3CCOC[C@@H]3C2)cc1 329815046 DYXMNHWYCOHIPL-WBVHZDCISA-N 347.459 2.119 30 50 EEEA N#Cc1cccnc1N1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 72473792 VYPVKYZPLFKYGN-GOSISDBHSA-N 340.402 2.166 30 50 EEEA C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)Cc1nccn1C(F)F 281788382 LDFMBIWVWSYJID-WCQYABFASA-N 328.363 2.401 30 50 EEEA CC1(C)OB(c2cc(Br)cc(C(=O)O)c2)OC1(C)C 169965028 SMJHVOLVWQZJPP-UHFFFAOYSA-N 326.983 2.447 30 50 EEEA CS(=O)(=O)O[C@H]1CCOC2(CCN(Cc3ccccc3)CC2)C1 66323534 NDPXFTKKMLHXBB-INIZCTEOSA-N 339.457 2.176 30 50 EEEA CCN1CCN(C(O)=Nc2cnccc2C)C[C@H]1c1nccn1C 328636986 VVOAKMOWINBLMZ-HNNXBMFYSA-N 328.420 2.048 30 50 EEEA Cc1ccc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1C#N 374237428 MIDZJQHPMRVRFJ-QGZVFWFLSA-N 338.411 2.186 30 50 EEEA CCN1CC[C@@]2(CCC1=O)CN(Cc1ccc(C#N)cc1)CCN2C 91452734 RMNCNFVPMMNAIA-FQEVSTJZSA-N 340.471 2.077 30 50 EEEA N#Cc1ccccc1-c1ccc(CN2CCN(CCC(=O)O)CC2)o1 244742062 OBFXKZBPABIMAC-UHFFFAOYSA-N 339.395 2.411 30 50 EEEA CN1CC[C@@H](CNC(=O)c2sccc2C#N)[C@@H]1c1cccnc1 328619523 FZHUFGWYKMTZGK-GJZGRUSLSA-N 326.425 2.438 30 50 EEEA CC1=CC(=NOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C=C(C)C1=O 4754911 VCUUSGPLHIZTSY-UHFFFAOYSA-N 336.325 2.131 30 50 EEEA N#Cc1cc2c(=O)n(CCc3nc4ccc(F)cc4[nH]3)ccc2nc1O 67872541 MIVXJWKRLRREKD-UHFFFAOYSA-N 349.325 2.232 30 50 EEEA N#Cc1cc(C(=O)N2CCOC[C@@H]2Cc2c[nH]c3ccccc23)c[nH]1 367018122 USTJAKVBVUIUCW-INIZCTEOSA-N 334.379 2.451 30 50 EEEA CO[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 363667124 WRIWWONYDYYYNW-LLVKDONJSA-N 330.356 2.026 30 50 EEEA CC(C)N(C)c1cccc(N=C(O)N2CCN(C[C@H](C)O)C[C@H]2C)c1 330525054 BYSRDJYCCAUJBC-CVEARBPZSA-N 348.491 2.464 30 50 EEEA N#Cc1ccnc(N2CCC[C@@H](c3n[nH]c(=O)n3-c3ccccc3)C2)c1 71764485 QBNUQBOBLVENJN-OAHLLOKOSA-N 346.394 2.211 30 50 EEEA CNS(=O)(=O)C[C@@H]1CCCN1c1ccc(C#N)c(C(F)(F)F)c1 170022286 YMDLOXDUFRCGKC-LBPRGKRZSA-N 347.362 2.095 30 50 EEEA C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 305869731 NZEDSSDZSQVECF-GXFFZTMASA-N 328.821 2.136 30 50 EEEA C=CCC1(NS(=O)(=O)c2cccc(C)c2C(=O)O)CCOCC1 656721686 RVIVHJMKFPRWDI-UHFFFAOYSA-N 339.413 2.097 30 50 EEEA CCCc1cc(=O)[nH]c(/N=C(/N)Nc2cc(Cl)ccc2OC)n1 18193496 JKNXEQIXXRWNLI-UHFFFAOYSA-N 335.795 2.443 30 50 EEEA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)c2ccc(C#N)cn2)on1 349861633 QNLSCIFTHYGHGD-GJZGRUSLSA-N 329.379 2.299 30 50 EEEA N#Cc1ccc(CN[C@H]2CCCN(c3ccccc3C(N)=O)C2)cc1 363090324 XSBXDNIYXRFXDJ-KRWDZBQOSA-N 334.423 2.416 30 50 EEEA CC#CC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 832278706 JMNWPRNNGUFWIG-AWEZNQCLSA-N 334.338 2.458 30 50 EEEA C=C(C)COc1cccc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)O)c1 55199531 HWMAKPLEUVEIRG-MRXNPFEDSA-N 341.367 2.016 30 50 EEEA C=C(C)COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc1 65375263 AKSSJQDFGNFTLH-UHFFFAOYSA-N 328.412 2.384 30 50 EEEA COC(=O)c1cc(C#N)c(N2CC(N3CCCC[C@@H]3C)C2)nc1C 77394160 LWBKGEQUFOTQOO-LBPRGKRZSA-N 328.416 2.111 30 50 EEEA C[C@@H]1CCc2nc(N)c(C#N)c(-c3cccc(OCC(N)=O)c3)c2C1 71416281 MHTROKZSNAOLJN-LLVKDONJSA-N 336.395 2.191 30 50 EEEA C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 241446914 NPPGQFRUEAHBHX-HNCHTBHHSA-N 333.461 2.352 30 50 EEEA CC(=O)NCc1c[nH]nc1[C@H]1CCN(c2ccc(C#N)cc2F)C1 952889898 OIDZPQPCIIDOND-ZDUSSCGKSA-N 327.363 2.050 30 50 EEEA N#Cc1cccc(N2C[C@@H]3CC[C@H](C2)C(=O)N3Cc2cscn2)n1 216845284 AHJVQDWDOXTWPX-DOMZBBRYSA-N 339.424 2.037 30 50 EEEA COc1cccc(/C=N/n2c(S)nnc2-c2ccccn2)c1O 1242551 WEHUVTNLFDWKSL-RQZCQDPDSA-N 327.369 2.225 30 50 EEEA C=CCc1cc(/C=C2/SC(=O)NC2=O)cc(OC)c1OCC(=O)O 4695926 OQTZQNRJVIKZHF-KPKJPENVSA-N 349.364 2.211 30 50 EEEA C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 6729621 MBORLIJDWZYGLI-UHFFFAOYSA-N 342.848 2.430 30 50 EEEA Cc1cncc(/C=C/C(O)=N/C2CCN([C@@H]3CCN(C)C3=O)CC2)c1 328593522 DOEITQQFDJFLHR-REMYHPOOSA-N 342.443 2.055 30 50 EEEA N#Cc1c[nH]c(C(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)c1 328631045 QMLIGBDEWNZWMX-SECBINFHSA-N 337.305 2.094 30 50 EEEA CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 239619501 BFBJVSASPVLDPU-YSVLISHTSA-N 335.473 2.269 30 50 EEEA CCOC(=O)CSc1nnc(/N=C(\O)CN2CCCCC2)s1 20445134 OSPVRYKVBDDQQO-UHFFFAOYSA-N 344.462 2.267 30 50 EEEA C#CCN1CCC(C(=O)N2CCN([C@H](C)c3ccsc3)CC2)CC1 184385190 HPPXNFHNEZLPBX-MRXNPFEDSA-N 345.512 2.299 30 50 EEEA CC1(C)OB(C2CCN(C(=O)NCc3ccncn3)CC2)OC1(C)C 1776007765 WIKJZIYXRZEOIQ-UHFFFAOYSA-N 346.240 2.244 30 50 EEEA Cc1nn(CC(C)C)c(C)c1C/C(O)=N/CCCc1nncn1C 328592119 BISXRYGJXVGPSP-UHFFFAOYSA-N 332.452 2.416 30 50 EEEA Cc1[nH]nc2ncc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc12 378299076 LHZGHGSYZBATKR-QGZVFWFLSA-N 347.378 2.352 30 50 EEEA CNc1ccc(C#N)cc1NS(=O)(=O)c1csc(C(=O)O)c1 350865072 AFNQWXRGJXLEOO-UHFFFAOYSA-N 337.382 2.160 30 50 EEEA Cc1nc(CN(C)[C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)no1 372817189 XZRVHVPMWWFGED-HNNXBMFYSA-N 329.379 2.095 30 50 EEEA OC[C@]1(F)CCN(/C(O)=N/[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)C1 328691865 IZQSHADRQIEKFV-INMHGKMJSA-N 340.370 2.366 30 50 EEEA Cc1noc([C@H](/N=C(/O)c2cn3ccccc3n2)C2CCOCC2)n1 328610968 JUMNUMAKYWWEHL-OAHLLOKOSA-N 341.371 2.498 30 50 EEEA Cc1nc([C@@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)no1 180620141 ZDMDMWIKFMKWHU-ZDUSSCGKSA-N 336.804 2.494 30 50 EEEA C=CCc1c(C)nc(N)nc1NC[C@@H](O)c1ccc(OC)c(OC)c1 95375397 YKICYSYZAARJDZ-CQSZACIVSA-N 344.415 2.258 30 50 EEEA O=C(O)C(=NNc1ccccc1)C(=NNc1ccccc1)C(=O)O 252613422 JBCIWHUXUYBMAH-UHFFFAOYSA-N 326.312 2.092 30 50 EEEA Cc1ccc(C)c(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c1 8573226 VITAGBMUIQBFCE-UHFFFAOYSA-N 343.339 2.454 30 50 EEEA C=CCn1nc(C(=O)O)c2c1CC[C@@H](N1CCC(C(C)(C)O)CC1)C2 77504673 IAHWGZCXWFGFPS-CQSZACIVSA-N 347.459 2.108 30 50 EEEA N#C[C@H]1CC[C@H](N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 293350330 DPXHHBFHTRRXNO-HOCLYGCPSA-N 331.391 2.041 30 50 EEEA CCc1cc(C#N)ccc1NC(=O)NCC1(N(C)C)CCOCC1 95506493 GVOVUPSCVBSLQG-UHFFFAOYSA-N 330.432 2.353 30 50 EEEA CN(C)[C@@H](CN/C=C1\C(=O)Oc2ccccc2C1=O)c1ccco1 828327189 HIEYNFCLUPNMQC-ZVHGMHCTSA-N 326.352 2.158 30 50 EEEA C[C@H](Cn1cc(CCCC#N)nn1)NC(=O)[C@@H]1[C@H]2CCCCC[C@H]21 1875323620 NEVYNMMXTUDZSK-SIXLDLHFSA-N 329.448 2.455 30 50 EEEA Cc1ccc(C#N)c(N2CC[C@H](Oc3ccnc(CN(C)C)c3)C2)n1 886027973 KODGAGUVUOQTDR-SFHVURJKSA-N 337.427 2.376 30 50 EEEA C=CCN1C(=O)NC(=O)/C(=C/c2ccc(Br)cc2)C1=O 12343679 SBRZBPFNXZZMFR-FLIBITNWSA-N 335.157 2.097 30 50 EEEA C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N1C[C@H](C)C[C@@H](C)C1 230256857 JOWPFQBOMIEUKX-UTUOFQBUSA-N 343.456 2.392 30 50 EEEA Cc1nc([C@@H]2CCCN2/C(O)=N/[C@H](C)C(=O)N2CCCC[C@@H]2C)no1 329407425 XMEGOOIQKWTWFC-SCRDCRAPSA-N 349.435 2.218 30 50 EEEA N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1CC(=O)O 905191377 VDHRDFZDVXJXKA-LBPRGKRZSA-N 342.804 2.230 30 50 EEEA CC(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@@H]1c1ccc(Cl)cc1 4904685 AIZBEGOBDOUOHQ-CQSZACIVSA-N 337.759 2.489 30 50 EEEA CCN(Cc1ccc(C#N)cc1F)C(=O)CN1CCO[C@H]2CCC[C@H]21 230132475 ALZPUNJGZKZWPI-MSOLQXFVSA-N 345.418 2.299 30 50 EEEA CN(C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O 239653727 BKXWWGLNOMEQTA-RBUKOAKNSA-N 335.407 2.329 30 50 EEEA N#Cc1ccccc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCCCO)C1 72478427 QGIURFYCZSXYFY-RBUKOAKNSA-N 341.455 2.144 30 50 EEEA CC[C@@H](CC#N)NC(=O)c1nscc1I 864057623 MZEZTLVHOXFXLE-LURJTMIESA-N 335.170 2.170 30 50 EEEA CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CO2)[C@H]1c1ccc(Cl)c(F)c1 1875372660 KKOWKHGUDKCJDY-KCQAQPDRSA-N 340.782 2.045 30 50 EEEA N#Cc1cccc(NC(=O)CN2CCC(C(=O)C(F)(F)F)CC2)c1 170599763 MQGQPOSPWLKEOD-UHFFFAOYSA-N 339.317 2.340 30 50 EEEA C#CCOc1ccc(F)cc1NC(=O)N1C[C@@H](C)[C@H](C(=O)OC)C1 281404130 OEVGVWGPSMRDJD-DGCLKSJQSA-N 334.347 2.111 30 50 EEEA N#C[C@@H](C(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccn1 222139769 VIBYLVXZAJDKHZ-NVXWUHKLSA-N 348.406 2.273 30 50 EEEA CC(C)Sc1n[nH]c(NS(=O)(=O)c2cccc(CC#N)c2)n1 225530882 SUQQXEPMNWFZKQ-UHFFFAOYSA-N 337.430 2.172 30 50 EEEA CN(C)C[C@@H]1OCCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccccc1 1857724262 SANVUONYTSDRRO-ROUUACIJSA-N 338.411 2.030 30 50 EEEA C[C@H](/C(O)=N/CC1CCCCC1)N1CCO[C@@H](c2nncn2C)C1 328646193 SMSGUYXGJVTNIH-UKRRQHHQSA-N 335.452 2.114 30 50 EEEA CC1(C)[C@@H](C(F)F)[C@H]1C(=O)Nc1cc(C#N)cc(S(C)(=O)=O)c1 2325784216 JHRDULKHTHVHRS-NEPJUHHUSA-N 342.367 2.438 30 50 EEEA C#CCCC1(CCNC(=O)C2CCN(c3ccncc3)CC2)N=N1 2325887404 OJXKDMNKCVLQHN-UHFFFAOYSA-N 325.416 2.380 30 50 EEEA C=C(C)COc1ccccc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 55107533 VLEGXTOTDGWTHN-IBGZPJMESA-N 344.455 2.465 30 50 EEEA COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OC 100175956 AJOZUAJEQPCWCU-GLKLPLOUSA-N 340.379 2.235 30 50 EEEA Cc1nc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)ccc1C#N 348260532 NXALUUMETREICA-CXAGYDPISA-N 343.333 2.488 30 50 EEEA CC(C)n1ncc2c1C[C@H](/N=C(/O)[C@H]1CCCCS1(=O)=O)CC2 330013333 LZRAMTLBXNBGOW-UKRRQHHQSA-N 339.461 2.245 30 50 EEEA N#Cc1cccc(Cl)c1N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952889756 FQTHIKHENNORIH-LSDHHAIUSA-N 333.819 2.461 30 50 EEEA COC(=O)c1cc(CSC[C@@H](C)S(C)(=O)=O)ccc1C#N 1875290821 DTIPXYPJHKRLKI-SNVBAGLBSA-N 327.427 2.011 30 50 EEEA COc1ccc(OC)c(N/C(S)=N\CCCN2CCOCC2)c1 13522404 CJNQRSYYHLQVEF-UHFFFAOYSA-N 339.461 2.124 30 50 EEEA C=C(C)COc1ccccc1C(=O)NCCN1CCCC[C@H]1CO 55120402 AWAJHCWGQAWGLZ-INIZCTEOSA-N 332.444 2.218 30 50 EEEA Cc1nnc(NC(=O)N2CCN(Cc3ccccc3C#N)CC2)s1 23153515 ALLHICAYXPKHPB-UHFFFAOYSA-N 342.428 2.068 30 50 EEEA CC(C)(C)O/C(O)=N/CCC(=O)N1CC[C@@H](Oc2cccnc2)C1 328594703 YBDDONHINCHESR-CQSZACIVSA-N 335.404 2.181 30 50 EEEA CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=O)n2[nH]cnc12 1403405 RPSFQSKOFKOGHE-UHFFFAOYSA-N 342.742 2.391 30 50 EEEA Cn1cncc1[C@@H]1C[C@H](/N=C(/O)c2cccc3c2OCO3)CCO1 328625928 LDNGTGPINIMEGQ-ABAIWWIYSA-N 329.356 2.374 30 50 EEEA O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1CO 265478258 RSDICEAXPOJRDL-CQSZACIVSA-N 326.318 2.223 30 50 EEEA C=CCN1CC[C@@]2(CCC1=O)CN(Cc1ccncc1C)CCN2C 91780502 YYUZPMVVCAVDTK-FQEVSTJZSA-N 342.487 2.075 30 50 EEEA CC(C)(O)C#Cc1cccc(C(=O)N2Cc3ccccc3[C@@H](O)C2)c1 1506398965 IVVLTUHDOCANQC-IBGZPJMESA-N 335.403 2.498 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H](c3c[nH]nc3C(=O)O)C2)N=N1 2325900882 MQPZLCSWVODDOE-LBPRGKRZSA-N 343.387 2.170 30 50 EEEA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C#N)cc2)cc1 514531 RTLFZKJIENRCII-UHFFFAOYSA-N 343.408 2.126 30 50 EEEA CC1(C)OB(c2cnc(NCc3ccco3)c([N+](=O)[O-])c2)OC1(C)C 170006852 DOGKWAVKRVCJSR-UHFFFAOYSA-N 345.164 2.494 30 50 EEEA COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O 331612769 NLFXGDZTBOGFOF-ARFHVFGLSA-N 344.411 2.098 30 50 EEEA N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 253392749 FZZXRBYPXJCYQR-XJKSGUPXSA-N 331.372 2.446 30 50 EEEA N#C[C@H]1CCCN(C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1 426563291 MHDLEMUIEVLJGB-CYBMUJFWSA-N 327.363 2.457 30 50 EEEA CC1CC(C#N)(C(=O)N2CCc3nnc(-c4ccncc4)cc3C2)C1 952894946 PRSDAUNTCHZOFK-UHFFFAOYSA-N 333.395 2.363 30 50 EEEA CC1(C)CN(S(=O)(=O)CC2(C#N)CC2)[C@@H]1c1nccn1CC1CC1 952894770 QQCUHQQXTQLNEJ-CQSZACIVSA-N 348.472 2.310 30 50 EEEA C=CCN1C(=O)/C(=C2/C(=O)Nc3ccc(OC)cc32)SC1=S 12437121 TWZXRUPWLFNGOE-QXMHVHEDSA-N 332.406 2.405 30 50 EEEA C=CCc1ccccc1OC[C@@H](O)CN1C(=O)c2ccccc2C1=O 303653 FXWPWOBBSJXBIX-HNNXBMFYSA-N 337.375 2.451 30 50 EEEA C=CCN1C(=S)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 4192112 JKCQZOMLVXRUMF-OLZOCXBDSA-N 342.873 2.099 30 50 EEEA Cc1cnc(N2CCc3c(cnc(C)c3C#N)C2)nc1-c1cnn(C)c1 20862346 LUMMQSLEVCMRLU-UHFFFAOYSA-N 345.410 2.323 30 50 EEEA N#Cc1cccnc1N1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 106996823 VYPVKYZPLFKYGN-SFHVURJKSA-N 340.402 2.166 30 50 EEEA C=CCOc1cccc(CN(CC)C(=O)[C@@H]2CCCN(C(N)=O)C2)c1 65491054 XRVHGHYVDICOBP-MRXNPFEDSA-N 345.443 2.391 30 50 EEEA Cc1ncc2c(c1C#N)CCN(CCC(=O)N1CCC[C@@H](C)C1)C2 65369893 WQMYOIWEWLYENR-CQSZACIVSA-N 326.444 2.268 30 50 EEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)[C@@H]2COc3ccccc32)C1 328655030 XZBOOAOBYPRPPT-ZBCRRDGASA-N 344.411 2.447 30 50 EEEA CN(Cc1nccc(N)n1)[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 328653862 XAWJRSQXDUIDTJ-MRXNPFEDSA-N 336.443 2.421 30 50 EEEA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(C#N)c2)C1 330586258 UYTFQEQBLYKJIV-KBPBESRZSA-N 339.317 2.230 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)N=N1 952880466 GKICIFUHALOBAP-ARFHVFGLSA-N 330.432 2.105 30 50 EEEA CN1CCN(C(=O)c2cc(Cl)ccc2Br)C[C@H]1C#N 274567390 FBDQATUVLUFGSO-SNVBAGLBSA-N 342.624 2.382 30 50 EEEA Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@@H](C#N)C2CC2)c1 170650209 HUMNSNARLXYQOB-AWEZNQCLSA-N 341.440 2.351 30 50 EEEA COc1ccc2c(c1)CCCCN2S(=O)(=O)c1cccnc1C#N 253433333 VVPKFYIXTIESRE-UHFFFAOYSA-N 343.408 2.493 30 50 EEEA Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cnc2ccc(C#N)cn12 378367213 CKJXREVOPIMSIP-INIZCTEOSA-N 336.399 2.119 30 50 EEEA CC1(C)C[C@@]1(C#N)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 291028722 YLLJYHGMUKDJJW-AWEZNQCLSA-N 342.804 2.082 30 50 EEEA C[C@H]1C[C@H](CNc2ccc(S(=O)(=O)N(C)CC#N)cc2)CCO1 952850296 WRJJWVHLNFHQPN-UONOGXRCSA-N 337.445 2.058 30 50 EEEA C#CCN(C)S(=O)(=O)[C@@H]1C[C@@H]1c1ccccc1Br 1875362624 NIKIKDCNXZTTGW-DGCLKSJQSA-N 328.231 2.200 30 50 EEEA CC(=O)N1C[C@H](Nc2nnc(C)c(C)c2C#N)CC[C@H]1C(F)(F)F 886097350 VLVFUWKPHRQUDP-YPMHNXCESA-N 341.337 2.319 30 50 EEEA C=C(C)Cn1c([C@@H](C)c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1357219900 MENPOOCOYJCSTN-ZNMIVQPWSA-N 344.463 2.353 30 50 EEEA C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccn(C)n1 119243155 VLLOKNCOPJAPFD-UHFFFAOYSA-N 338.820 2.288 30 50 EEEA Cc1oc(C#N)cc1C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 367103170 YXNQIFCDBWNJIL-KSSFIOAISA-N 337.379 2.409 30 50 EEEA C#CCOc1ccc(Br)cc1[C@H]1N[C@H](C(=O)O)CS1 2972011 ZBZHPYBZAQDIQJ-JQWIXIFHSA-N 342.214 2.249 30 50 EEEA COCCC/N=C(\S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8682755 APLGOPMDXTVZMI-UHFFFAOYSA-N 338.433 2.039 30 50 EEEA N#C[C@@H](NC(=O)CN1CCOCC1)c1cccc(Cl)c1Cl 137000695 YYEHPUUSOCEWPQ-GFCCVEGCSA-N 328.199 2.006 30 50 EEEA O/C(COC1CCCCC1)=N/[C@H]1CCCN(c2nccnc2O)C1 328635547 NJZPZGNLFXNSHB-ZDUSSCGKSA-N 334.420 2.457 30 50 EEEA Cc1nnccc1N=C(O)N1CCCC[C@H]1c1nnc2n1CCCC2 330099605 DHVWAVYROUUMOW-AWEZNQCLSA-N 341.419 2.486 30 50 EEEA CC(C)c1ncncc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 364108638 YBZANUQKCDMZJO-UHFFFAOYSA-N 333.355 2.305 30 50 EEEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](CCC(=O)O)C1 237544384 MSGYXDDJAFITHL-KGLIPLIRSA-N 330.384 2.429 30 50 EEEA CCN1C(=O)CC[C@H](CNc2cc(C#N)ccn2)[C@H]1c1cnn(C)c1 888102992 YPSCAPCPXMREGR-KDOFPFPSSA-N 338.415 2.098 30 50 EEEA CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C#Cc1ccccc1 188087904 SZKIXHZJJBDAFG-JOCHJYFZSA-N 348.446 2.134 30 50 EEEA C[C@@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCN(C)CC1 216631779 WBQHQUTUAOVLFF-HNNXBMFYSA-N 330.281 2.294 30 50 EEEA CCCOCc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1 170665039 SJYYRMLKCDVIBP-UHFFFAOYSA-N 345.424 2.358 30 50 EEEA COc1ccccc1C(C)(C)N/C(O)=N/[C@@H]1CCCS(=O)(=O)C1 329358782 GHUUJFHUDAESDC-GFCCVEGCSA-N 340.445 2.011 30 50 EEEA CC(C)(C)N1C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2[C@H]1O 170005684 QBCFNUPJPOUMBW-OAHLLOKOSA-N 331.221 2.231 30 50 EEEA Cc1nn(CC(=O)O)c(C)c1-c1cc(-c2cccnc2)c(C#N)c(N)n1 71751966 ZWKIUAPYIXJNJL-UHFFFAOYSA-N 348.366 2.162 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1ccncc1)CC2 92077459 DJHNIHIDJVCBFX-UHFFFAOYSA-N 341.455 2.431 30 50 EEEA N#Cc1nccc(N2CCC(c3nccc(N4CCCC4)n3)CC2)n1 952894704 OZNACFBHKWVQCP-UHFFFAOYSA-N 335.415 2.122 30 50 EEEA C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1nn(C(C)(C)C)cc1C#N 193719596 QOJSZUKOKBMSMO-NSHDSACASA-N 333.436 2.389 30 50 EEEA O=C(/C=C\c1ccc2c(c1)OCO2)C[C@@]1(O)C(=O)Nc2ccccc21 12660716 AJJYRWYJJMMKIT-WPGJWXSHSA-N 337.331 2.228 30 50 EEEA biogenic CC1=C/C(=N\OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)=CC1=O 16213695 WGGMRVUZVQXDDM-FYWRMAATSA-N 336.325 2.131 30 50 EEEA COC(=O)[C@@H]1CC12CCN(C(=O)NCCc1cccc(C#N)c1)CC2 253431784 ULDIGQHAHSHFGE-INIZCTEOSA-N 341.411 2.085 30 50 EEEA O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1CC#Cc1ccccc1 375800396 ADTJCJXGXRXLEV-RTBURBONSA-N 342.439 2.408 30 50 EEEA C[C@@H]1C[C@](C)(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)CCO1 1875269842 YUHSIXXOASYPJH-AUUYWEPGSA-N 342.443 2.243 30 50 EEEA N#CC1(c2nc(-c3ccc(N4CCCC4=O)cc3)no2)CCNCC1 2325799555 HWZYHOHOUWDDEC-UHFFFAOYSA-N 337.383 2.008 30 50 EEEA C#CCCC1(CCNC(=O)c2ccnc(N3CCO[C@@H](C)C3)c2)N=N1 2325891070 OZCOOYVTDBLWIR-AWEZNQCLSA-N 341.415 2.002 30 50 EEEA Cc1cc(/C(O)=N/[C@@H](c2nc(C)no2)C2CCOCC2)cc(O)n1 328612769 PUNJZTDORPFGPF-CQSZACIVSA-N 332.360 2.260 30 50 EEEA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(Cc2cn3ccccc3c2C#N)C1 284732344 XAHDJDVFLNHABJ-PBHICJAKSA-N 336.399 2.200 30 50 EEEA C[C@H]1OCCN(C(=O)c2ccc(C#N)cc2)[C@@H]1c1nc(C2CC2)no1 285037883 BKKQPUGLTFPUNX-ABAIWWIYSA-N 338.367 2.421 30 50 EEEA COc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2C)cc1O 32575697 DQTUTDSNYZRFNI-YVLHZVERSA-N 334.397 2.330 30 50 EEEA C=CCOc1cccc(NC(=O)N(C)C2CCS(=O)(=O)CC2)c1 299764774 LEPIQNFRFDCGTN-UHFFFAOYSA-N 338.429 2.292 30 50 EEEA Cn1c(NC(=O)c2ccc(N3CCCC3)c(C#N)c2)nnc1C1CC1 1875267943 MCFLPPGZTGYPIK-UHFFFAOYSA-N 336.399 2.417 30 50 EEEA CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2C#N)c1 16626213 HGLJSPXLOIUGKT-UHFFFAOYSA-N 347.371 2.200 30 50 EEEA N#Cc1ccccc1-c1ccc(CN2CC[C@@]34OCCN3C(=O)C[C@@H]24)o1 1857733227 ALWFJQBPCOSISH-QUCCMNQESA-N 349.390 2.351 30 50 EEEA Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccc(C#N)s1 435439204 TZDCEZLDDBGWBY-QMMMGPOBSA-N 325.415 2.134 30 50 EEEA C=CCN1C[C@H](C(=O)NCCCc2nc3ccccc3s2)CC1=O 952867588 QSSJYJKBWGRJKI-CYBMUJFWSA-N 343.452 2.380 30 50 EEEA CN1C(=O)C[C@@H](CNc2nc3ccccn3c2C#N)[C@@H]1c1cccnc1 886031736 QORQJYFSEDEXHY-KSSFIOAISA-N 346.394 2.232 30 50 EEEA C=CC[C@@H]1N(C(=O)c2ccnc3c(C(N)=O)cnn23)CCCC1(C)C 278123917 LZKKWCXWPGERKW-AWEZNQCLSA-N 341.415 2.035 30 50 EEEA COc1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1C#N 190100515 QCBRDURBBHOICG-HUUCEWRRSA-N 328.372 2.220 30 50 EEEA COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C#N)c(Cl)o1 252498199 QWMWKJWCXNVLRI-UHFFFAOYSA-N 340.744 2.392 30 50 EEEA CC1(C)C[C@@H](CC(N)=O)N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 2325797164 UVGRCQGXUGIKLL-OWCLPIDISA-N 325.412 2.164 30 50 EEEA N#Cc1cnn2c(O)cc(CN3CCC[C@H]([C@H]4CC4(F)F)C3)nc12 2325797382 MCVWXPJEJPIEPF-GXFFZTMASA-N 333.342 2.174 30 50 EEEA COC(=O)C1=C(C(=O)OC)[C@H]2C3(CCCC3)[C@H]1[C@]13O[C@]21[C@H]1CC[C@H]3C1 101003727 PWHMOGISNXNGOW-MBJIEKGVSA-N 344.407 2.387 30 50 EEEA O=C(O)CN(CC1CC1)C1CC(/N=C(/O)[C@@H]2CC23CCOCC3)C1 328635837 NQQGZSFWZCQXAB-NRXISQOPSA-N 336.432 2.087 30 50 EEEA N#Cc1c(N=C(O)Cc2ccc3c(c2)OCCO3)nc2n1CCS2 329482533 PYNXHVUJJNFDRK-UHFFFAOYSA-N 342.380 2.462 30 50 EEEA CC1(C)CN(/C(O)=N/Cc2noc(C3CC3)n2)C[C@H](C(F)(F)F)O1 330208642 GXELXCQKEPDMCE-SECBINFHSA-N 348.325 2.403 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H](N3CCOCC3)CC2)N=N1 952880856 JJSXSQJMRBCKGA-MRXNPFEDSA-N 332.448 2.055 30 50 EEEA CC[C@@H](CC#N)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1 888099542 PKTVJSVDWNIPRG-ZDUSSCGKSA-N 339.395 2.404 30 50 EEEA COc1ccc(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cc1 169746768 ZKEHIHHVZOMIFF-UHFFFAOYSA-N 341.220 2.397 30 50 EEEA in-vitro Cc1cc2c(cc1C)O[C@H](C(=O)Nc1nc3n(c1C#N)CCS3)C2 170007416 OFWYBDBKYDHJNJ-AWEZNQCLSA-N 340.408 2.420 30 50 EEEA CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1C(=O)NC1CC1 170604684 LDFUMYBXGJDVBS-GOSISDBHSA-N 328.416 2.045 30 50 EEEA N#Cc1cccc(/C=C/C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 282416678 QDBLHLALDGNACT-GHOSXJJBSA-N 339.439 2.142 30 50 EEEA Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 190516097 IOZKYBLWNXHJAT-CYBMUJFWSA-N 343.456 2.245 30 50 EEEA O/C(=N/Cc1ccoc1)NC[C@@H]1C[C@H](F)CN1Cc1nccs1 328636644 OEEQOZQTQJTLHD-STQMWFEESA-N 338.408 2.352 30 50 EEEA Cc1ccc(C#N)c(N2CCN(Cc3cn4ccccc4n3)CC2)n1 127602921 CJQOAOSIVOERDA-UHFFFAOYSA-N 332.411 2.232 30 50 EEEA CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2C#N)C(=O)N1CC 100203684 CIALLNFFNNQVLC-WMQDPJMESA-N 330.413 2.227 30 50 EEEA C=CCn1ncc(CN2CCNC(=O)[C@@H]2c2cccc(F)c2)c1C 67513646 USAFHHRBUKRIGS-KRWDZBQOSA-N 328.391 2.190 30 50 EEEA COc1ccc(C(C)(C)CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1 283093623 WPZITVLEHOXQSR-ZDUSSCGKSA-N 339.461 2.041 30 50 EEEA COc1cc([C@H]2CC(=O)C=C(O)[C@@H]2n2cncn2)cc(OC)c1OC 1390421 JPWCYIYURVIJFX-MLGOLLRUSA-N 345.355 2.044 30 50 EEEA Cn1nccc1C1=CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 370591753 BCIQOUKUZUULPN-LJQANCHMSA-N 347.422 2.186 30 50 EEEA CCOC(=O)[C@H]1CCc2nc(N)c(C#N)c(-c3cc(CC)n[nH]3)c2C1 71758840 GMMZGWOCDOWYFL-JTQLQIEISA-N 339.399 2.156 30 50 EEEA COc1nccc(N[C@@H]2CCOC[C@H]2OCc2ccccn2)c1C#N 222326303 QAVYVIUWRQHJGL-IAGOWNOFSA-N 340.383 2.143 30 50 EEEA N#Cc1ccc(C(=O)N2C[C@H](c3n[nH]c(C4CC4)n3)[C@@H](C3CC3)C2)o1 952849165 ZRRUMAVFNJWMKS-KGLIPLIRSA-N 337.383 2.413 30 50 EEEA CC[C@H](C#N)NC(=O)c1cc(I)ccc1O 190862113 MBZXDFMPTMAJEN-MRVPVSSYSA-N 330.125 2.029 30 50 EEEA CCOc1cc(/C=N/N2CCN(c3ccccn3)CC2)ccc1O 15658754 RZEABXZSQWHLFK-XSFVSMFZSA-N 326.400 2.342 30 50 EEEA N#Cc1cccc([C@H]2C[C@@H]2C(=O)N2CCC(c3nnc(O)o3)CC2)c1 1857532106 YSHSYSVADWDCEU-CABCVRRESA-N 338.367 2.157 30 50 EEEA C=CCN1CC[C@H](Nc2cc(C[S@@](C)=O)ccc2Cl)C1=O 252498710 RJCIZRCMLJSLPI-YEJXKQKISA-N 326.849 2.417 30 50 EEEA N#Cc1ccccc1N1CCC[C@@H](NC(=O)c2cccc(CO)c2)C1 368263886 OJHDZFNKYBERQW-GOSISDBHSA-N 335.407 2.449 30 50 EEEA N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](N4CCCC4)C3)C2=O)cc1 229815567 WFUUGHNSBNHRNG-MOPGFXCFSA-N 338.455 2.224 30 50 EEEA N#Cc1ccc(OCC/N=C(/O)N2CCOCC3(CCC3)C2)cc1 328587396 LPCHYAZGUNSMDH-UHFFFAOYSA-N 329.400 2.354 30 50 EEEA Cc1nc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)ccc1C#N 375014280 APSPCFABOLNBKS-GOSISDBHSA-N 325.343 2.135 30 50 EEEA C[C@H](NC(=O)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 1875328299 KIWDKTATNNNNNK-LBPRGKRZSA-N 329.381 2.307 30 50 EEEA Cc1cccc(S(=O)(=O)N2CCC(Cc3cc[nH]n3)CC2)c1C#N 1775987263 WMESQSNVDYREFG-UHFFFAOYSA-N 344.440 2.233 30 50 EEEA CCn1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)n1 5728195 MLNPGAFNRQNWKQ-MRXNPFEDSA-N 329.400 2.352 30 50 EEEA CC(C)(O)C#Cc1ccc(CN2CCC[C@@]3(CC2)CNC(=O)O3)s1 828305618 YSSWZGZCNIVVDM-GOSISDBHSA-N 348.468 2.335 30 50 EEEA C=CCN1C[C@@H](N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CCC1=O 1775989957 COPKIJUGSAGUMA-KBPBESRZSA-N 340.431 2.003 30 50 EEEA C#CCOc1cccc(-c2noc(-c3nc4nccc(C)n4n3)n2)c1 170595439 RSTANVBJVMFQAY-UHFFFAOYSA-N 332.323 2.162 30 50 EEEA C#CCCC1(CCNC(=O)c2coc3c2C(=O)NCC(C)(C)C3)N=N1 2325887473 VCWZFBSAMAYSRJ-UHFFFAOYSA-N 342.399 2.287 30 50 EEEA O=C(C[C@H]1S/C(=N/N=C/c2ccco2)NC1=O)Nc1ccccc1 4755789 FLIYDQCLZJPTMV-VGSSETLESA-N 342.380 2.230 30 50 EEEA COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2ccc(C#N)c(C)n2)c1 282650502 XQUBIUTZTRHVPE-CRAIPNDOSA-N 337.379 2.218 30 50 EEEA C[C@H](O)[C@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 248536951 HBPZFULAABZSQO-WOPDTQHZSA-N 333.457 2.138 30 50 EEEA C=CCN(C(=O)c1ccc(OCC(=C)C)cc1)[C@H]1CCS(=O)(=O)C1 55405055 VLMIOBLKRDNEIY-INIZCTEOSA-N 349.452 2.457 30 50 EEEA O=[S@+]1(O)C[C@H]2NC(=S)N(c3cccc(Cl)c3Cl)[C@H]2C1 334158180 WACGEWALAZOZOJ-APPZFPTMSA-P 338.261 2.411 30 50 EEEA CCc1c(C)nc(N)nc1N1CCN(Cc2cccc(C#N)c2)CC1 95382630 UQBLZJWOPAWXAI-UHFFFAOYSA-N 336.443 2.124 30 50 EEEA Cc1nc(O)c(C#N)cc1C(=O)N1CC[C@](C)(O)[C@H](CC(C)C)C1 1073302319 IMAFKFINXIEMHZ-KDOFPFPSSA-N 331.416 2.227 30 50 EEEA CC(C)Cn1ncnc1CN1CCO[C@@H](c2cccc(C#N)c2)C1 360676192 ZCXZDOFBBYQUBO-QGZVFWFLSA-N 325.416 2.379 30 50 EEEA C#CCCC1(CCC(=O)Nc2ccc3cnn(CC(=O)O)c3c2)N=N1 952876811 XEKFEUFYNCDHLU-UHFFFAOYSA-N 339.355 2.415 30 50 EEEA N#Cc1ccc([C@@H](O)CN2CCCN(C(=O)c3ccoc3)CC2)cc1 370565073 FYVOAFOPOKBKSY-SFHVURJKSA-N 339.395 2.033 30 50 EEEA CN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1CCC(O)CC1 342909719 FNOSNFGELONETC-FHERZECASA-N 345.418 2.286 30 50 EEEA N#Cc1ccccc1-c1ccc(CN2CCC[C@@](O)(C(N)=O)C2)cc1 286196283 NSRLNKBMODBXFQ-FQEVSTJZSA-N 335.407 2.037 30 50 EEEA COCc1nc([C@H]2CN(c3nc(C#N)ccc3C)C[C@@H]2C2CC2)n[nH]1 952849550 DSCJQBKEHABVKD-CABCVRRESA-N 338.415 2.156 30 50 EEEA C#CCNC(=O)c1ccc(N[C@H](C)[C@H](O)c2ccc(F)cc2)nc1 189629477 VVEJTBDJJAENED-PXAZEXFGSA-N 327.359 2.118 30 50 EEEA N#CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 110710619 FPXVWLDDQCVICA-CHWSQXEVSA-N 329.297 2.186 30 50 EEEA CCN(CC)c1ccc2c(C#N)c(C(=O)CC(=O)OC)c(=O)oc2c1 402160 OJCSWSOLEQSFPD-UHFFFAOYSA-N 342.351 2.257 30 50 EEEA Cc1cc(N2CCC[C@H](N/C(O)=N/[C@H](C)c3nccs3)C2)n(C)n1 328597171 FDJOQCFMPZMVEY-OLZOCXBDSA-N 348.476 2.419 30 50 EEEA N#Cc1cccc(N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)n1 71775603 OWCRCIRJBITPKD-AWEZNQCLSA-N 346.394 2.211 30 50 EEEA C=CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 246219438 YLKPZXWNWRYBAO-DOMZBBRYSA-N 335.835 2.068 30 50 EEEA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1cccc(C#N)c1 241170934 KCYCPDXWEPNEQJ-UAGQMJEPSA-N 341.411 2.303 30 50 EEEA Cc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)nc(C)n1 612479112 TUANBIXGUCIHAX-UHFFFAOYSA-N 349.438 2.313 30 50 EEEA CCc1nc(CS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)no1 195580575 DAJNZEGSGXUICV-UHFFFAOYSA-N 345.302 2.496 30 50 EEEA C[C@@H](O)C/N=C(/O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 328606621 SEHIQLWTMMJPNN-XOKHGSTOSA-N 329.400 2.346 30 50 EEEA N#Cc1ccc(OC[C@H](O)CNCCCc2cccc(O)c2)cc1 2325754375 NQRPQBNLWXVJJV-GOSISDBHSA-N 326.396 2.226 30 50 EEEA COC[C@H](NCc1cc(O)n2ncc(C#N)c2n1)C1CCC(C)CC1 2325771890 YTFOJHAUCIOQGK-ZUEPYMLJSA-N 343.431 2.237 30 50 EEEA C=CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 4837294 JCIQROIKDWGLSM-SDNWHVSQSA-N 341.323 2.261 30 50 EEEA CCOCCN1CCC=C([C@@H](C)NC(=O)c2cccc(C#N)c2)C1 67851008 UXPAFKOBKMMDRV-OAHLLOKOSA-N 327.428 2.345 30 50 EEEA N#Cc1ccc([C@H](N[C@H](CO)c2ccc(Cl)cc2)C(N)=O)cc1 351949503 PYJRQIDQCZYDOJ-CVEARBPZSA-N 329.787 2.061 30 50 EEEA Cc1nnc([C@@H]2COCCN2C(=O)c2ccc(C#N)c(Cl)c2)o1 328611642 MEJZILQUKUTFID-ZDUSSCGKSA-N 332.747 2.117 30 50 EEEA C=CCN1CC[C@H](N(C)C(=O)Nc2cnn([C@H](C)C3CC3)c2)C1=O 253425314 CHROXKZECUJAOA-DOMZBBRYSA-N 331.420 2.105 30 50 EEEA N#Cc1ccccc1C(=O)N1CCN(Cc2ccccc2F)C(=O)C1 222528561 DNBPOWNXGLAXHB-UHFFFAOYSA-N 337.354 2.182 30 50 EEEA O=C1CCCC(=O)N1CC/N=C(/O)[C@H]1CC(O)=Nc2cc(F)ccc21 329665450 PYFFAOGZUZCMOQ-LBPRGKRZSA-N 347.346 2.397 30 50 EEEA C#CCCC1(CCC(=O)Nc2nnn(Cc3ccncc3)c2C)N=N1 2325886343 OPXRDWQLKQQOLD-UHFFFAOYSA-N 337.387 2.324 30 50 EEEA C#CCCC1(CCC(=O)NCCC2(O)Cc3ccccc3C2)N=N1 2325900278 SCQDQVZOMATMCG-UHFFFAOYSA-N 325.412 2.378 30 50 EEEA CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)Nc2ccn(CCC#N)n2)C1 119749714 NFVBCTJVTLKXLI-ZDUSSCGKSA-N 347.419 2.382 30 50 EEEA COc1ccc(-c2c(C#N)c(N)nc3c2c(=O)nc2sccn23)cc1 19933103 WHCXGTKSOFNXMI-UHFFFAOYSA-N 349.375 2.434 30 50 EEEA CCOc1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)cc1C#N 97301471 ADOJXBZWEFTDBX-RDJZCZTQSA-N 346.431 2.186 30 50 EEEA COc1ccc(OCCCN)c(C(=O)N2CCC[C@](C)(C#N)C2)c1 299797793 PHPZONFFKIYXDH-GOSISDBHSA-N 331.416 2.189 30 50 EEEA CCc1nc(SCC(=O)OCc2ccccc2)[nH]c(=O)c1C#N 5239062 AQGYGQISZQXYPF-UHFFFAOYSA-N 329.381 2.039 30 50 EEEA O=C1C[C@@H](Cn2ccnc2-c2ccc(C#CCCO)cc2)CN1C1CC1 1857710935 BVGQRNWWNGCCKP-KRWDZBQOSA-N 349.434 2.295 30 50 EEEA CN(C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)c1cnc(C#N)cn1 328623166 IZAHFXYWTBPZSV-JTQLQIEISA-N 336.321 2.262 30 50 EEEA CC(C)(C)OC(=O)[C@H]1Cc2ccccc2CC[C@@H]1OS(C)(=O)=O 43198742 NSBVGQKHZOQIDR-GJZGRUSLSA-N 340.441 2.478 30 50 EEEA N#Cc1c(Br)cc([N+](=O)[O-])cc1N[C@H]1C[C@@H](CO)C1 1775997257 CVAYRHDPCKEDCM-OCAPTIKFSA-N 326.150 2.412 30 50 EEEA CCc1nc(C#N)cc(N2CCn3c(nnc3-c3ccccc3)C2)n1 408523160 HNLPTWSVGLBYBW-UHFFFAOYSA-N 331.383 2.189 30 50 EEEA C[C@H](O)CNC(=O)c1ccc(OCc2cc(C#N)ccc2F)cc1 195089615 LCUKNURFLFYACB-LBPRGKRZSA-N 328.343 2.387 30 50 EEEA CN(C)c1ccc(/C=N/N=C2\C(=O)Nc3ccccc32)cc1[N+](=O)[O-] 4818973 NLINEPYEEPLPQT-VCHYOVAHSA-N 337.339 2.436 30 50 EEEA C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)c1ccc(C#N)nc1 362454127 SVTGZFGTAIXUIC-LBPRGKRZSA-N 333.351 2.364 30 50 EEEA C=CCn1cc(Br)c(=NC(=O)[C@@H]2C[C@H]2c2ccncc2)[nH]1 1875276049 HDPFZVZOAFJRIK-NWDGAFQWSA-N 347.216 2.391 30 50 EEEA C=C(C)Cn1c(=O)c2c(nc3n([C@@H](C)CC)c(C)cn23)n(C)c1=O 10103897 TWZUJBHVLAFOHF-NSHDSACASA-N 329.404 2.005 30 50 EEEA C#CCCC1(CCNC(=O)c2sc3nccnc3c2NC)N=N1 2325891657 UDWJWGXHSYIOGA-UHFFFAOYSA-N 328.401 2.428 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)NCCc2cnc3ccccn23)cc1 65407929 JSEXOOPZRZEWFW-UHFFFAOYSA-N 347.418 2.429 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 369946092 PYDAVJOCPUKNBX-OAHLLOKOSA-N 337.427 2.449 30 50 EEEA OC1=C/C(=N/c2ccc(N3CCN(c4ccccc4)CC3)nc2)CN1 1848443916 RRAFBFSBWVZSEG-JWGURIENSA-N 335.411 2.483 30 50 EEEA C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2Cl)C1=O 330815266 MGNUFZDKXTVOCR-CYBMUJFWSA-N 342.848 2.056 30 50 EEEA C=CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 2468940 SJTKZGOTDFJUKA-LSDHHAIUSA-N 329.356 2.418 30 50 EEEA N#Cc1c(N2CCC[C@H]2C(=O)NCc2ccco2)nc2ccccn12 134899429 FEJHXQMUYQLDTK-AWEZNQCLSA-N 335.367 2.084 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2cccc(F)c2C#N)C1 328611454 LRTXMMZHIZACQT-INIZCTEOSA-N 329.335 2.471 30 50 EEEA C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1C(=O)N1CCOCC1 284512761 DXULRVDZJOJWOI-IUODEOHRSA-N 333.819 2.143 30 50 EEEA CCN1Cc2nc(OC)c(CNc3nc(C)ccc3C#N)cc2C1=O 71661305 LIGSVEHBIAYRAB-UHFFFAOYSA-N 337.383 2.253 30 50 EEEA N#Cc1ccc(CN2CCCN(C(=O)Cc3cccnc3)CC2)cc1 264793998 XZLFSLJQUGEEMJ-UHFFFAOYSA-N 334.423 2.230 30 50 EEEA CC1(c2nnc(-c3ccccc3F)o2)CN(C(=O)NCCCC#N)C1 952891492 FEHMUQVXSNYGRD-UHFFFAOYSA-N 343.362 2.462 30 50 EEEA C#CCN1CCC(C(=O)NCC(C)(C)CCCC(OC)OC)CC1 170601701 JPHIFLYHFQPXBG-UHFFFAOYSA-N 338.492 2.263 30 50 EEEA CC(C)c1nnc([C@@H]2CN(C(O)=Nc3ccc(F)cn3)CCO2)o1 328629550 OYTFLCXIMXOWNV-NSHDSACASA-N 335.339 2.346 30 50 EEEA Cc1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c2[nH]cc(C#N)c12 2325781724 AQXPUSPSDAGEHR-HDODXQBNSA-N 328.397 2.085 30 50 EEEA C#CCCC1(CCC(=O)NC[C@@]2(C(=O)OC)C[C@H]3CC[C@H]2C3)N=N1 2325892770 BDQFFPZVYLYPJQ-ZQIUZPCESA-N 331.416 2.438 30 50 EEEA O/C(=N/CCc1csc2ccccc12)N1CCN2CCOC[C@@H]2C1 328587466 WVEGZDDBNDJDTN-HNNXBMFYSA-N 345.468 2.374 30 50 EEEA CC(C)(C#N)c1ccc(-c2cncc(C(=O)N3CCOCC3)n2)cc1 426563408 RDZZCAOAVNVNKJ-UHFFFAOYSA-N 336.395 2.417 30 50 EEEA N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CCO[C@@H]1c1nc[nH]n1 952890411 SWJRMMCCPRBRRP-ONGXEEELSA-N 338.293 2.280 30 50 EEEA CC(=O)N1C[C@H](NC(=O)c2cccc(C#N)c2)CC[C@@H]1C(F)(F)F 886056829 JEMBQLKRSGKYHV-ZIAGYGMSSA-N 339.317 2.230 30 50 EEEA N#CC1(NC(=O)CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)CCCCC1 281579760 DTYNYXDRKMAGQI-DLBZAZTESA-N 345.418 2.276 30 50 EEEA CCCn1nc(N(Cc2cccc(C#N)c2)S(C)(=O)=O)cc1C 2356139728 JAMOJXMDQBWLBC-UHFFFAOYSA-N 332.429 2.439 30 50 EEEA Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(N(C)C)nc1 71767924 XISZMFYRPSBLIX-UHFFFAOYSA-N 333.399 2.372 30 50 EEEA COc1nccc(N[C@@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c1C#N 72167103 BVOBOHKHCXJBMK-OAHLLOKOSA-N 348.406 2.142 30 50 EEEA CCOC1(OCC)N=C(N)[C@]2(C#N)[C@H](c3ccccc3F)[C@@]12C#N 230025406 JLVQOIUVWRBVHK-CWRNSKLLSA-N 328.347 2.040 30 50 EEEA C=C[C@@](C)(O)CC(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 952894195 XFILDPWKKRZDCK-GOSISDBHSA-N 345.374 2.303 30 50 EEEA C#CCCc1noc([C@]2(C#N)CCCN(C(=O)OC(C)(C)C)C2)n1 1875291060 MSLDXYWTSQWLMP-KRWDZBQOSA-N 330.388 2.428 30 50 EEEA N#Cc1ccc(O[C@H]2CCOC[C@@H]2NC(=O)Cc2ccccc2)cc1 1565531191 UHEYMMAIGDDVNY-OALUTQOASA-N 336.391 2.453 30 50 EEEA C/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 4523312 SQTGPQWKMLKEBP-UKTHLTGXSA-N 325.371 2.359 30 50 EEEA Cc1cc(CC/N=C(/O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc(C)c1O 328594323 AZQPPWUFHZLJGV-IRXDYDNUSA-N 331.460 2.492 30 50 EEEA Cn1cc(/C(O)=N/C[C@H](CO)[C@H]2CCOC2)c(C2CCCCC2)n1 330068469 GIYJHCRETSYFBA-LSDHHAIUSA-N 335.448 2.417 30 50 EEEA CCCc1c(NC(=O)NC[C@@H](C)O)cnn1-c1cccc(C#N)c1 365293993 VVFVOGLOIGWMIK-GFCCVEGCSA-N 327.388 2.199 30 50 EEEA O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1CC#Cc1ccccc1 375800395 ADTJCJXGXRXLEV-RBUKOAKNSA-N 342.439 2.408 30 50 EEEA CO[C@H]1C[C@@H](CN2CCCC2)N(CCOc2cccc(C#N)c2)C1 286199072 BIDXXNOLYUGIAY-HKUYNNGSSA-N 329.444 2.122 30 50 EEEA CCc1ccc(S(=O)(=O)N/N=C2/C(=O)Nc3c(C)cccc32)cc1 17071673 GNUUIRPCVHRLMG-UHFFFAOYSA-N 343.408 2.192 30 50 EEEA N#Cc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1 55564273 TZCPFMZYXDMCSN-UHFFFAOYSA-N 338.386 2.458 30 50 EEEA C/N=C(/NCc1nc(C2CC2)no1)N[C@H](C)[C@@H]1COc2ccccc21 170596066 FOLKORQVHLOHCQ-RISCZKNCSA-N 341.415 2.177 30 50 EEEA Cc1ccc(N2CCC[C@@H](/N=C(/O)[C@@H](O)Cc3ccccc3)C2)nn1 328588352 CKWHPMSHTIFSCK-SJORKVTESA-N 340.427 2.314 30 50 EEEA COCc1cc(N=C(O)N2CCCC[C@@H]2c2ccnn2C)ncn1 328587753 GURVFPZKYYRQBW-CQSZACIVSA-N 330.392 2.129 30 50 EEEA CCOC(=O)c1cn(CC/N=C(O)/C=C/c2cncc(C)c2)cn1 328589983 RKHSJEMPWVYPTP-SNAWJCMRSA-N 328.372 2.433 30 50 EEEA N#C[C@H]1COCCN1C(=O)Cc1c[nH]c2cccc(Br)c12 179294699 XNJVSOICJPEECM-NSHDSACASA-N 348.200 2.224 30 50 EEEA Cn1cc(N2CCC[C@@H](O/N=C3/CCOc4ccccc43)C2=O)cn1 170642618 JJZKLNIRFQDFQZ-MNTXUITRSA-N 340.383 2.119 30 50 EEEA CN(CC(=O)N1C[C@@H](CO)c2ccccc21)Cc1cccc(C#N)c1 2325728449 ZEHPFGJSZRSTFF-KRWDZBQOSA-N 335.407 2.113 30 50 EEEA C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)Cn1nc(O)ccc1=O 55107825 ULRLAUKPUQBJMQ-GJZGRUSLSA-N 329.400 2.017 30 50 EEEA CCN(CC(=O)O)C1CC(/N=C(/O)CO[C@@H]2CCC[C@@H](C)C2)C1 328641729 QTQNEDZSPYMGJY-XSCHDIRWSA-N 326.437 2.476 30 50 EEEA O=S1(=O)CCCN(/C(O)=N/Cc2ccc(C3CC3)cc2F)CC1 330238640 ZXSIIJYQNRWMLK-UHFFFAOYSA-N 340.420 2.238 30 50 EEEA COC[C@@H]1CN(CCOc2ccc(C#N)cc2OC)CC(C)(C)O1 284558832 NGVPLYLVRDSJDC-HNNXBMFYSA-N 334.416 2.071 30 50 EEEA C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 366321305 WAJGKGKXOFIBPX-GUYCJALGSA-N 329.400 2.146 30 50 EEEA CN1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1c1nc(C2CC2)no1 284924635 PQGOVNGFXQVNIW-MRXNPFEDSA-N 341.390 2.446 30 50 EEEA CCOc1ccccc1CN1CCN(c2cc(C#N)ncn2)[C@@H](C)C1 242100051 WDXQBSZWXNKMFW-HNNXBMFYSA-N 337.427 2.458 30 50 EEEA COc1cccc(N2CCN(C(=O)c3ccccc3C#N)CC2=O)c1 82155805 UXOCMJQJZKSAEB-UHFFFAOYSA-N 335.363 2.056 30 50 EEEA Cc1cc(C)c(C#N)c(N2CCC[C@H](c3ccn(CCO)n3)C2)n1 426739011 HAAOPYHPHUVIBM-HNNXBMFYSA-N 325.416 2.143 30 50 EEEA CCC[C@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1NC(=O)CCOC 91381833 IBNWRNPLMFCCNL-RDJZCZTQSA-N 344.459 2.328 30 50 EEEA CCc1ccc2occ(C(=O)N3CCN(C(=O)CC#N)CC3)c2c1 294408369 MSBMODKXHZHFMO-UHFFFAOYSA-N 325.368 2.193 30 50 EEEA N#Cc1cncc(N2C[C@H](O)C[C@H]2c2ccc(Br)cc2)n1 1875288168 QABXPOMZIHYKAG-KGLIPLIRSA-N 345.200 2.423 30 50 EEEA O=C(O)Cn1cc(/C=N/Nc2nc(Cl)c(Cl)cc2Cl)nn1 170673346 FBYMSCMQKQZIEB-JLZUIIAYSA-N 349.565 2.164 30 50 EEEA COc1cc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c(C#N)cn1 170613129 YHTSSBRKCAXYTR-UHFFFAOYSA-N 348.410 2.160 30 50 EEEA COc1ccccc1N1CCN(/N=C/c2ccc(O)cc2O)CC1 259025 QFNLESLCVYNXDI-CPNJWEJPSA-N 327.384 2.263 30 50 EEEA C#CCCC1(CCC(=O)NN2CCN(Cc3ccccc3)CC2)N=N1 2325804731 MECDAXINIVQABR-UHFFFAOYSA-N 339.443 2.191 30 50 EEEA N#Cc1c(CN2CCc3ccccc3[C@@H]2C(N)=O)cn2ccccc12 373955403 VJYWSPFLTICCMG-LJQANCHMSA-N 330.391 2.396 30 50 EEEA CO[C@H](C(=O)N1CCN(c2ccccc2C#N)C(=O)C1)c1ccccc1 82115064 JCRQOVYYUZPCRD-IBGZPJMESA-N 349.390 2.121 30 50 EEEA CC(C)(O)C#Cc1ccc(CN2CCCn3nc(C#N)cc3C2)cc1 826805565 BNJVJIOXFGRLJK-UHFFFAOYSA-N 334.423 2.283 30 50 EEEA CCCCCCCCC(=O)N(C)Cc1nnc2n1CCN(C)C2=O 952994529 QJORPESZTZJZOB-UHFFFAOYSA-N 335.452 2.073 30 50 EEEA O[C@@H]1[C@@H](NCc2ccc(C#Cc3cn[nH]c3)cc2)CCCC1(F)F 1875284184 PXKHKASJTDPMLP-DLBZAZTESA-N 331.366 2.448 30 50 EEEA C=CCOc1cccc(CN2C[C@H](Cc3cnccn3)[C@@H](O)C2)c1 1616074125 WTADOAAYCWKARS-LPHOPBHVSA-N 325.412 2.077 30 50 EEEA C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 225754407 MLXKYYAGVMJGKL-MNOVXSKESA-N 341.399 2.376 30 50 EEEA C=CCN1C[C@@H](C(=O)N2CCC(c3cc(C(C)C)n[nH]3)CC2)CC1=O 67434016 PSZLMUVXLSGKLU-HNNXBMFYSA-N 344.459 2.274 30 50 EEEA CC(C)(C)c1ccc([C@H](O)C/N=C(/O)[C@@H]2CN3CCCN2CC3)cc1 328586872 VBYFVAIWXMBCMX-ZWKOTPCHSA-N 345.487 2.364 30 50 EEEA C/C(O)=N/[C@@]1(c2noc(C)n2)CCN(c2nc(C3CC3)ns2)C1 328613134 QVTPCWVVPQJGNQ-AWEZNQCLSA-N 334.405 2.189 30 50 EEEA CCCCCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 95902500 JASUVAQHXJPEIQ-UHFFFAOYSA-N 343.225 2.156 30 50 EEEA CN(C)/C=N/c1c(S(C)(=O)=O)cn(Cc2ccccc2)c1C#N 826802826 HZNIXZGEPZSRSK-LDADJPATSA-N 330.413 2.033 30 50 EEEA C[C@@H](NC(=O)NCC#CCN(C)C)c1ccc(OC(F)F)cc1 952879275 NVXMEPQYCSNMBD-GFCCVEGCSA-N 325.359 2.213 30 50 EEEA CC[C@@](C)(O)c1cn([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 881338370 FYKSDSLEFSSVST-MAUKXSAKSA-N 339.399 2.135 30 50 EEEA COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)Cc2ccc(C#N)cc2)c1 282479709 LWANETNFTHZVHW-MJGOQNOKSA-N 336.391 2.444 30 50 EEEA Cc1cccc(CN2CCN(CC#Cc3ccccc3)C[C@H]2CCO)n1 104319390 ORPZFOJXBQQSOE-JOCHJYFZSA-N 349.478 2.310 30 50 EEEA CC(=O)N1CCN([C@@H]2CN([C@H](C)c3ccc(C#N)cc3)C[C@@H]2C)CC1 257366201 MWKRHWKBSWNBNK-RZQQEMMASA-N 340.471 2.104 30 50 EEEA CCOc1cc(/C=N/N=C(N)N)ccc1OC(=O)c1ccc(C)cc1 4151798 JOIUJCWBOIUFFG-SRZZPIQSSA-N 340.383 2.220 30 50 EEEA N#Cc1ccc(C(=O)Oc2ccc(O[C@H]3CCCCNC3=O)cc2)[nH]1 153827523 KDGYRNPWLWSFOI-INIZCTEOSA-N 339.351 2.153 30 50 EEEA C=CCOc1cccc(NC(=O)N2CCC3(CC2)CNC(=O)O3)c1 299798767 RHWQIBGZHRHZHP-UHFFFAOYSA-N 331.372 2.358 30 50 EEEA CC1(C)OB(c2ccc(Cl)c(NS(C)(=O)=O)c2)OC1(C)C 404927897 KSDKQDYOORXWOT-UHFFFAOYSA-N 331.630 2.011 30 50 EEEA C=CCN1CC[C@@H](Nc2cc(C[S@@](C)=O)ccc2Cl)C1=O 252498709 RJCIZRCMLJSLPI-LRTDBIEQSA-N 326.849 2.417 30 50 EEEA N#Cc1cccc(CN2CCC[C@](O)(Cc3nc(C4CC4)no3)C2)c1 818185771 XEMJGNWURXTEBY-IBGZPJMESA-N 338.411 2.388 30 50 EEEA CCCn1nc(N(Cc2ccccc2C#N)S(C)(=O)=O)cc1C 2356145463 CSUAJMCIWVXLOY-UHFFFAOYSA-N 332.429 2.439 30 50 EEEA CC(C)n1cc([C@]2(O)CCN(c3cc(Cl)ccc3C#N)C2)nn1 284455758 HAPDPDBYCMFBAT-INIZCTEOSA-N 331.807 2.482 30 50 EEEA CC1(C)C[C@@]1(C#N)NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 291809533 XVTBUWQAYGUNDW-IBGZPJMESA-N 338.411 2.212 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H]2Cn2nc(C)nc2C)N=N1 952881340 MMCZVWVWDBYSKS-HNNXBMFYSA-N 328.420 2.242 30 50 EEEA Cc1nc(C#N)c(=N)[nH]c1N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 1875270144 AGYQYCCRNQCBOX-DLBZAZTESA-N 348.454 2.028 30 50 EEEA CCN1C(=O)C[C@@H](CNC(=O)c2cccc(C#N)c2)[C@@H]1c1cccnc1 886029141 WCICXZIDLHWCBH-HKUYNNGSSA-N 348.406 2.293 30 50 EEEA C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O 3918317 UCDVIBNDYLUWFP-MJTHGBBVSA-N 332.440 2.275 30 50 EEEA biogenic,in-vitro N#CCC[C@@H]1NC(=O)[C@H](Cc2cccc(Oc3ccccc3)c2)NC1=O 2325783266 JQVHJEMYPPOQLJ-ROUUACIJSA-N 349.390 2.308 30 50 EEEA C#CCCC1(CCNC(=O)c2nnn(CC3CCCC3)c2C)N=N1 2325890943 FYQHDGYSPSLITG-UHFFFAOYSA-N 328.420 2.472 30 50 EEEA C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1C#N 245338794 OOVKCGHONIAULK-BXUZGUMPSA-N 341.864 2.172 30 50 EEEA CCN(Cc1c[nH]c2ccccc12)S(=O)(=O)N(C)[C@@H](C)CC#N 252508708 XRGANTXVDYWVFV-ZDUSSCGKSA-N 334.445 2.469 30 50 EEEA Cc1cncc(N=C(O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)c1 328628792 ODCJFSVFTOSZOY-HOCLYGCPSA-N 329.404 2.406 30 50 EEEA O/C(=N/[C@@H]1CCO[C@]2(CCOC2)C1)c1cnc(-c2ncccn2)s1 329111529 KDGMLIGMNRAQFG-BDJLRTHQSA-N 346.412 2.243 30 50 EEEA N#CC1(c2ccc(C(=O)N3CCc4ccccc4[C@@H]3C(N)=O)cc2)CC1 361773169 GRXVKTMQHNOIQF-GOSISDBHSA-N 345.402 2.467 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)N=N1 952883317 YTVYACNWFJZJFY-AWEZNQCLSA-N 340.431 2.286 30 50 EEEA C=CCOc1ccccc1CNCCc1ccc(S(N)(=O)=O)cc1 19871800 WJMXAFWDYAJTKO-UHFFFAOYSA-N 346.452 2.231 30 50 EEEA N#CCCCn1cc(C(=O)N2CC[C@@H](CC(N)=O)C2)c2ccccc21 377191398 RGHMPKAQKMUKMT-AWEZNQCLSA-N 338.411 2.283 30 50 EEEA C[C@@H]1CN(/C(O)=N/CCOc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 328588996 WAJGKGKXOFIBPX-DYVFJYSZSA-N 329.400 2.350 30 50 EEEA N#Cc1ccc(N[C@H]2CCCN(c3cccnc3)C2=O)c([N+](=O)[O-])c1 253427370 ZCKQPULIOKJKLR-HNNXBMFYSA-N 337.339 2.469 30 50 EEEA CCn1nccc1CN(CCO)c1ccc(C(F)(F)F)c(C#N)n1 241326081 LZCNTHJIXKGKTL-UHFFFAOYSA-N 339.321 2.187 30 50 EEEA N#Cc1ccc(OC2CCN(C(=O)C[C@@H]3CCOC3)CC2)c(F)c1 375808865 RUTODXZMXTVPML-AWEZNQCLSA-N 332.375 2.494 30 50 EEEA N#C[C@@H]1CCCN(C(=O)c2cccc(C3=CCCS3(=O)=O)c2)C1 299800484 WWPIEWHDIFGRKQ-ZDUSSCGKSA-N 330.409 2.222 30 50 EEEA Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NS(=O)(=O)C1CC1 405072351 IUBWCJCHTVDIMT-UHFFFAOYSA-N 337.250 2.198 30 50 EEEA CCOCC(O)=Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 328586649 SILWHGWAWNLBMX-UHFFFAOYSA-N 346.431 2.492 30 50 EEEA N#CCC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 241693844 QIDUHIDKIIHGEM-UHFFFAOYSA-N 342.317 2.395 30 50 EEEA CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 129020212 BMAVBOPNXWUWEX-GFCCVEGCSA-N 335.212 2.297 30 50 EEEA CCn1cc([C@H]2OCC[C@@H]2/N=C(/O)c2cnc3ccccn23)cn1 328620640 HESIPNMNZQVZFE-XJKSGUPXSA-N 325.372 2.386 30 50 EEEA Cc1nc(S(=O)(=O)NCc2ccco2)c(C#N)c(C)c1Cl 1428526 NUMYPAVIVZDWQR-UHFFFAOYSA-N 325.777 2.295 30 50 EEEA CNc1nnc(S[C@H]2CCN(c3sccc3C#N)C2=O)s1 176935182 XBDZXMNWILZFFB-QMMMGPOBSA-N 337.455 2.411 30 50 EEEA COc1ccc(C(=O)CN2C=C/C(=C3\C=CC=[S+]3)N=C2)cc1OC 328579825 AUASQXFQXHOCTO-JXAWBTAJSA-N 341.412 2.410 30 50 EEEA N#Cc1ccccc1OCC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 225537565 VZIOOKYATDORJK-IRXDYDNUSA-N 340.354 2.411 30 50 EEEA N#Cc1ccc(OCC(=O)N2CCc3ccccc3[C@H]2C(=O)O)cc1 326493992 NRKBJAOUVZHQBQ-SFHVURJKSA-N 336.347 2.148 30 50 EEEA C[C@H](C1CC1)n1nccc1NC(=O)CNC(=O)c1ccc(C#N)cc1 154760057 RJLQOMHTBFJYOZ-GFCCVEGCSA-N 337.383 2.094 30 50 EEEA N#Cc1cccnc1N1CCC(NC2CSCCSC2)CC1 67641380 ZBMOZZKIQJHOKV-UHFFFAOYSA-N 334.514 2.360 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/[C@H](CO)c1ccco1 328614066 VELSVIDIVXVDMV-ZENOOKHLSA-N 333.388 2.398 30 50 EEEA CCn1cnnc1[C@H]1CN(c2ccc3cc(C#N)ccc3n2)CCO1 369365647 DUHUYUSYKTUTOZ-MRXNPFEDSA-N 334.383 2.296 30 50 EEEA CCc1nn(C)c(-n2nc(C)nc2C)c1NC(=O)c1cccc(C#N)c1 1875263158 QMZUHHIZMIGFIS-UHFFFAOYSA-N 349.398 2.304 30 50 EEEA C=CCCS(=O)(=O)N1C[C@H](c2n[nH]c(C(C)C)n2)[C@@H](C2CC2)C1 1775984784 KZADWNCBFLGKPP-KGLIPLIRSA-N 338.477 2.259 30 50 EEEA C=C(CNC(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1)c1ccccc1 655925379 ZZHDVNJLZQQZPO-GOSISDBHSA-N 348.468 2.310 30 50 EEEA N#Cc1cc(C(=O)N2CCCC[C@H]2CN2CCOCC2)ccc1F 376648318 HCXDPSRCPZYZDD-INIZCTEOSA-N 331.391 2.024 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@H]2OC(C)(C)O[C@H]32)N=N1 2325891667 UVCCIRVFACRJDH-KJWHEZOQSA-N 331.416 2.244 30 50 EEEA C#CCCC1(CCC(=O)NS(=O)(=O)N(CC)c2ccccc2)N=N1 2325901058 RZXMBNNEJLGDAZ-UHFFFAOYSA-N 348.428 2.230 30 50 EEEA Cn1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2 3433480 SHUZCIRTIOMNDU-UHFFFAOYSA-N 348.457 2.143 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cccc(C)c1 4099505 MQFJELARWFGEHX-FFSVYQOJSA-N 327.380 2.251 30 50 EEEA COC(=O)[C@@H]1C(=O)[C@H](C(=O)/C=C/c2ccccc2)C(=O)CC1(C)C 100319748 FNNWAQYAEWAHFA-MTQIJDFFSA-N 328.364 2.242 30 50 EEEA biogenic CCc1nc(C)sc1Cn1ccc2nc(O)c(C#N)cc2c1=O 67920264 DKRKUYUAOHPUQG-UHFFFAOYSA-N 326.381 2.349 30 50 EEEA CC[C@H]1CCc2c(sc(NC(=O)CN3CCN(C)CC3)c2C#N)C1 20661375 OVWIQUBUVDERMW-ZDUSSCGKSA-N 346.500 2.321 30 50 EEEA Cc1c(C(=O)N2CCC[C@@H](CN3CCCCC3)C2)cnc(O)c1C#N 77506072 HOUFAGZYGHVAPO-HNNXBMFYSA-N 342.443 2.305 30 50 EEEA COc1ccc([C@@H]2CN(c3cc(C#N)ccn3)C[C@H]2NC(C)=O)cc1 95517856 ATHITHYAXFMSQT-ZWKOTPCHSA-N 336.395 2.070 30 50 EEEA Cc1cccnc1CN1CCN(Cc2cc(C#CCO)cs2)CC1 828644614 MDGNLKGATNOAKE-UHFFFAOYSA-N 341.480 2.113 30 50 EEEA COc1cc(CN[C@H]2CCC[C@H]2Oc2cnn(C)c2)ccc1C#N 685941486 XOABVLMKXXCETQ-DLBZAZTESA-N 326.400 2.390 30 50 EEEA Cc1noc([C@@H]2[C@@H](C)OCCN2CCOc2ccccc2C#N)n1 346506357 RLYIMQOSMXHUCT-WBMJQRKESA-N 328.372 2.091 30 50 EEEA C[C@@H](C#N)CN(C)S(=O)(=O)NCCCc1cccc(Cl)c1 282720788 RRRMQJYMGYSAFO-LBPRGKRZSA-N 329.853 2.198 30 50 EEEA Cc1c(C(=O)N2CCC[C@H](CN3CCCCC3)C2)cnc(O)c1C#N 77506071 HOUFAGZYGHVAPO-OAHLLOKOSA-N 342.443 2.305 30 50 EEEA Cn1cncc1[C@@H]1C[C@H](N/C(O)=N/CCOC2CCCC2)CCO1 328620933 HLECLBZHWQWYDP-CJNGLKHVSA-N 336.436 2.103 30 50 EEEA CC(C)(C)n1cc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)nn1 248804293 BAEKPTPDVPKPDG-SFHVURJKSA-N 338.459 2.243 30 50 EEEA C#CCCC1(CCC(=O)N2C[C@H](C3CC3)[C@](F)(C(=O)OC)C2)N=N1 2325892963 XAFKNKOAMQMXNF-DYVFJYSZSA-N 335.379 2.092 30 50 EEEA N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 134812530 PUWPLBGSEPCPPL-KRWDZBQOSA-N 334.379 2.210 30 50 EEEA C=C(C)COc1ccccc1CN1CCC[C@H](C(=O)NCCCO)C1 55344697 MCIFANISOUMGRT-SFHVURJKSA-N 346.471 2.352 30 50 EEEA C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1)C(=O)O 350730929 WMUGJLGQNNGIII-NSHDSACASA-N 345.380 2.017 30 50 EEEA C#CCCC1(CCC(=O)Nc2ccc(N3CCOCC3)nc2)N=N1 952876462 RKXQKXJEILYZDK-UHFFFAOYSA-N 327.388 2.212 30 50 EEEA C[C@H](NC(=O)Cn1c2c(cc(C#N)c1=O)CCC2)c1cccs1 952963058 BZJRMCSEKRGVEQ-NSHDSACASA-N 327.409 2.148 30 50 EEEA Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1 109116081 VXHPCCPBGUIYOM-MRXNPFEDSA-N 338.411 2.491 30 50 EEEA N#Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)s1 362950280 ADNPWVUCMIWNKY-UHFFFAOYSA-N 341.392 2.344 30 50 EEEA CC(=O)ON1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 47417 RDEPFWDLDPALOY-FOIPXRHGSA-N 333.343 2.357 30 50 EEEA COc1nccc(N2CCN(C3CCCCC3)[C@@H](CCO)C2)c1C#N 106964865 NYANRBBQSRFIMZ-INIZCTEOSA-N 344.459 2.168 30 50 EEEA CC1(C)OB(c2cc(C#N)cc(OC[C@@H]3CCCO3)c2)OC1(C)C 170008691 DLDNWKLJZDFXCI-HNNXBMFYSA-N 329.205 2.415 30 50 EEEA CCCCN1CCOB(c2cccc(Br)c2)OCC1 170161077 BXFIDVYXLHBXPE-UHFFFAOYSA-N 326.043 2.293 30 50 EEEA CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NCc1ccc(C#N)cc1 252674251 RVSHWURCJMETSX-QZTJIDSGSA-N 349.500 2.487 30 50 EEEA Cn1nc(C(F)(F)F)c(C#N)c1N1CCN(c2ccccn2)CC1 3116852 RFGHURDMUJCLHK-UHFFFAOYSA-N 336.321 2.032 30 50 EEEA Cc1cc(O)nc(NN=C2C=C(N3CCOCC3)CC(C)(C)C2)n1 334157812 HCGIMFZMAGXLQC-UHFFFAOYSA-N 331.420 2.295 30 50 EEEA CS(=O)(=O)N(CCOc1ccccc1C#N)Cc1ccccc1 181594932 WUDMJUFXXPSDPK-UHFFFAOYSA-N 330.409 2.399 30 50 EEEA Cc1ccc([C@H](N)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 877250407 PNIVFLYMNMJWMJ-IBGZPJMESA-N 334.423 2.215 30 50 EEEA CN(C)c1nc(O)cc([C@H]2CCN(c3nccc(C#N)c3Cl)C2)n1 888099411 YHUGTAMVVTYMLL-NSHDSACASA-N 344.806 2.162 30 50 EEEA C[C@@H](NC(=O)c1cnc(O)c([N+](=O)[O-])c1)c1ccc(C#N)cc1F 408514867 GYMVHGFXXJPUGV-MRVPVSSYSA-N 330.275 2.197 30 50 EEEA CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1cc(C)ccc1F 252484760 GGWYWHIGUWNNBL-CYBMUJFWSA-N 327.425 2.292 30 50 EEEA C#CCCC1(CCC(=O)NCc2c(O)nnc3c2CCCC3)N=N1 2325886293 FDEDEKBRAJUZBW-UHFFFAOYSA-N 327.388 2.033 30 50 EEEA C=CCn1c(CC)nnc1SCC(=O)Nc1nnc(CC)s1 9699328 WYIWTCAXFYNZBF-UHFFFAOYSA-N 338.462 2.171 30 50 EEEA C=CCn1cc(CNC[C@H](c2ccc(C)o2)N2CCOCC2)c(C)n1 55369603 GVXFSWVYGXMOTB-GOSISDBHSA-N 344.459 2.442 30 50 EEEA C=CCN1C(=O)/C(=C2/C(=O)N(CCCC)c3ccccc32)NC1=S 100870284 HLTGVJSCWBTCDY-PFONDFGASA-N 341.436 2.447 30 50 EEEA N#Cc1ccc(CN2CCC[C@]3(CCC(=O)N(CCCO)C3)C2)cc1 82114728 SNACLFIEFBPFLJ-FQEVSTJZSA-N 341.455 2.145 30 50 EEEA CC(C)(C)OC(=O)N[C@H](C(=O)NCC#N)c1c(F)cccc1F 294677777 WNWFXJBHJDTYRR-LBPRGKRZSA-N 325.315 2.170 30 50 EEEA N#Cc1cccc(N[C@H]2CCN(C(=O)[C@@]3(C(=O)O)CC=CCC3)C2)c1 1875267389 VUWLOEILMRRFIO-QFBILLFUSA-N 339.395 2.382 30 50 EEEA CCn1cc(CCN2CCN(c3cccc(F)c3C#N)CC2)cn1 276288070 HDTUXKTZGTYSSW-UHFFFAOYSA-N 327.407 2.278 30 50 EEEA O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1cccnc1 1296502 LPQRRMGQFKKRJM-CXUHLZMHSA-N 326.341 2.419 30 50 EEEA N#Cc1cccc(N2CCN3C(=O)OC[C@]3(Cc3ccccc3)C2)n1 1857673940 UHEOBWGWBWPGQD-IBGZPJMESA-N 334.379 2.207 30 50 EEEA C=CCOc1ccc(CNCCCN2CCOCC2)cc1OCC 20064277 XHKWFHXZHCEVTQ-UHFFFAOYSA-N 334.460 2.462 30 50 EEEA C#C[C@@H](C)NC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 291780552 XGGOHMAMBFCPSQ-QMTHXVAHSA-N 334.338 2.314 30 50 EEEA CC(C)C#CC(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 952891920 CZCKTSUKLFJVII-UHFFFAOYSA-N 337.427 2.243 30 50 EEEA CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 275890330 HRARNJMIFTUGTO-QGZVFWFLSA-N 337.427 2.408 30 50 EEEA C#CC[C@@H](CO)NC(=O)Cc1csc(COc2ccc(C)cc2)n1 408517607 NNKZGBNSKYBRJI-AWEZNQCLSA-N 344.436 2.073 30 50 EEEA COc1cc(OC)cc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)c1 13729202 FNGQEMKLCXNIIO-UHFFFAOYSA-N 345.424 2.494 30 50 EEEA CC/N=C(/O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(CCO)C1 328606098 QLJFNEOUANQDBA-OAHLLOKOSA-N 342.443 2.369 30 50 EEEA CCCc1occc1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 332436511 YJHJYOBVBPTFOR-CYBMUJFWSA-N 339.399 2.245 30 50 EEEA C=CCN1C(=O)COc2ccc(NC(=O)c3snnc3C)cc21 32593395 SYJFVCRRNVHSPE-UHFFFAOYSA-N 330.369 2.010 30 50 EEEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cccc(C#N)c2)cc1 219206853 DIOHVAYNRPVLPG-RTBURBONSA-N 347.374 2.396 30 50 EEEA N#Cc1c[nH]c(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c1 177811081 HTLLBYYTRJNHGN-AWEZNQCLSA-N 344.371 2.179 30 50 EEEA C=CCCC(=O)N(CC)C[C@@H](O)COc1ccc(CCOC)cc1 293997769 TWDIDAFPYYEDSU-QGZVFWFLSA-N 335.444 2.430 30 50 EEEA CC1(C)OB(c2cccc(OCCCN3CCOCC3)c2)OC1(C)C 230535024 UOCSDDWASYGNGC-UHFFFAOYSA-N 347.264 2.087 30 50 EEEA Cc1ccc(CN2CCC(CNC(=O)c3ccc(C#N)nc3)CC2)o1 299774962 JJFFAVCRJAZCFP-UHFFFAOYSA-N 338.411 2.497 30 50 EEEA CC(C)(C)OC(=O)N1CC[C@H](CCOS(C)(=O)=O)C(F)(F)C1 390822859 LUFOKRAKBXHRJO-SNVBAGLBSA-N 343.392 2.245 30 50 EEEA CO[C@H]1CCN([C@H]2CCC[C@H]2NCCOc2ccccc2C#N)C1 886075370 KTOHJBWPXXXAPK-KSZLIROESA-N 329.444 2.168 30 50 EEEA C#CCOc1ccc(C(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)cc1 408517458 ILDPRVVBGKMMMW-AEFFLSMTSA-N 339.395 2.082 30 50 EEEA C=C(C)CNC(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1 12225482 GTAZEHLCXUCTNO-UHFFFAOYSA-N 346.427 2.009 30 50 EEEA COc1ccc(C)c(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CCC3)c1 100197499 SCADXOTUDJDJAA-LBPRGKRZSA-N 328.368 2.085 30 50 EEEA CN(C)Cc1ccc(NCc2cn(C)c3c(C#N)cnn23)cc1F 2325800809 GSIZNWZXQCSICY-UHFFFAOYSA-N 326.379 2.357 30 50 EEEA COc1ccc(OC)c(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)c1 100175763 SJTWWZJWUQMHCH-UHKXSARDSA-N 340.379 2.235 30 50 EEEA COc1ccc(C#CC(=O)N2CCN(c3ccncc3C)CC2)cc1 20866400 FMFFOFANBNBGQW-UHFFFAOYSA-N 335.407 2.099 30 50 EEEA C#Cc1cccc(NC(=O)C(=O)Nc2ccccc2C[S@](C)=O)c1 120547012 RGMXQTWPCXFBCN-XMMPIXPASA-N 340.404 2.124 30 50 EEEA CCCN1CCC[C@H]1C(=O)NC1CCN(/C(O)=N/C(C)(C)C)CC1 330667283 BJGYFXLGHWVENT-HNNXBMFYSA-N 338.496 2.154 30 50 EEEA N#Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cn1 244723721 MFZTUKQIHBHGRI-UHFFFAOYSA-N 334.379 2.119 30 50 EEEA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 190565081 DTYZIYNKFPSYOS-ZDUSSCGKSA-N 343.456 2.245 30 50 EEEA Cn1cc([C@H]2OCCC[C@@H]2/N=C(/O)c2cccc3c2OCO3)cn1 328619117 FMEILJGGJVHEAP-DZGCQCFKSA-N 329.356 2.374 30 50 EEEA N#Cc1ccc(OCCC2OCCO2)c(I)c1 252501155 UCYSMVKXDXGTJY-UHFFFAOYSA-N 345.136 2.305 30 50 EEEA COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O 331612776 NLFXGDZTBOGFOF-OAGGEKHMSA-N 344.411 2.098 30 50 EEEA C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1cccnc1)CC2 91518951 XGOKVSGLBWDJEP-UHFFFAOYSA-N 341.455 2.431 30 50 EEEA C[C@H]1C[C@](C)(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)CCO1 1875269843 YUHSIXXOASYPJH-IFXJQAMLSA-N 342.443 2.243 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2ccc(C#N)cc2F)C1 328614815 WYAVIHRPYQLCMW-MRXNPFEDSA-N 329.335 2.471 30 50 EEEA O=S1(=O)CCC[C@H](/N=C(/O)[C@H]2CCN(c3ccccc3F)C2)C1 329443357 BWNHRDAPVXAFEY-STQMWFEESA-N 340.420 2.186 30 50 EEEA Cn1ccc(CC/N=C(/O)N2CCC(Cc3cccnc3)CC2)n1 329576422 OHBBNMBUXJKCNF-UHFFFAOYSA-N 327.432 2.226 30 50 EEEA CN1CCC[C@H](CCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 92107985 GLADPXLJRLCIPX-GOSISDBHSA-N 340.471 2.329 30 50 EEEA CCc1nc(C/N=C(/O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cs1 328586918 PGJHCRUXMLXXSQ-ABAIWWIYSA-N 325.434 2.047 30 50 EEEA N#Cc1ccccc1N1CCCN(C(=O)[C@@H]2CCCc3c[nH]nc32)CC1 2325703005 ZYJRACZZXSRFSK-QGZVFWFLSA-N 349.438 2.440 30 50 EEEA C#CCCC1(CCC(=O)N2CC[C@@H](N(C)Cc3ncoc3C)C2)N=N1 2325892849 JSKLSMAXODYDEG-OAHLLOKOSA-N 343.431 2.371 30 50 EEEA C=CCNc1ncnc2c1CCN(Cc1ccccc1C(=O)O)CC2 72421716 FHZSIZKDUNLYHQ-UHFFFAOYSA-N 338.411 2.374 30 50 EEEA N#C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(-n2cnnn2)c(F)c1 1875280749 LCPIAGUVLRXOBV-GXFFZTMASA-N 329.339 2.005 30 50 EEEA Cc1nnc(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)c(C#N)c1C 1775959317 PBKVNHLPBBKACR-XJKSGUPXSA-N 326.404 2.278 30 50 EEEA Cc1ncnc(C)c1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1529103873 GYEMBDNMUCMQFA-UHFFFAOYSA-N 349.438 2.313 30 50 EEEA C=CCN1C(=S)N(c2ccc(CC)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 4758708 FVXIXCWTNABXHN-HUUCEWRRSA-N 336.482 2.008 30 50 EEEA CCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c2c(c1)nc(C)n2C 170008509 LSRGQRLWFSATRM-UHFFFAOYSA-N 344.220 2.358 30 50 EEEA C[C@@H](/C(O)=N/[C@H]1CCCC[C@H]1C)N1CCO[C@H](c2nncn2C)C1 328648888 UUCHAQLUVHVJPQ-QPSCCSFWSA-N 335.452 2.112 30 50 EEEA C[C@@]1(NS(=O)(=O)Cc2cc(C#N)ccc2F)CCO[C@H]1C1CC1 329614144 CXLHCSVVZOKVQZ-JKSUJKDBSA-N 338.404 2.074 30 50 EEEA C=C(C)CN1CCC(NC(=O)N2CCC(Cn3cccn3)CC2)CC1 125978460 DSEZDVYUNDFNHB-UHFFFAOYSA-N 345.491 2.345 30 50 EEEA CCSc1ncc(-c2c(C#N)c(N)nc3c2CN(CC)CC3)cn1 72161172 RBCSAIWGUUYYAM-UHFFFAOYSA-N 340.456 2.482 30 50 EEEA CCN1C(=O)CC[C@H](CNc2cccnc2C#N)[C@H]1c1nccn1C 952853028 WOZJQUGLCONXKF-DYVFJYSZSA-N 338.415 2.098 30 50 EEEA COc1cc(N/C(S)=N\CCCN2CCOCC2)cc(OC)c1 18250927 WVISDLWJTXHWIE-UHFFFAOYSA-N 339.461 2.124 30 50 EEEA C#CCCC1(CCNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)N=N1 2325890893 AQTPWFIYZOZCHJ-UHFFFAOYSA-N 338.367 2.035 30 50 EEEA COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](Cc2cnn(C)c2)C1 229862440 GZICZUJDAHHEKD-MAUKXSAKSA-N 338.411 2.070 30 50 EEEA C=CCN(Cc1nc2ccc(C)c(C)c2[nH]1)[C@@H]1CCS(=O)(=O)C1 67947885 NSHJYLVMSWOAIF-CQSZACIVSA-N 333.457 2.355 30 50 EEEA C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1CCOc1ccccc1C#N 284716636 HJMPNRZIXFSBLK-AOIWGVFYSA-N 330.428 2.189 30 50 EEEA O/C(COC1CCCCC1)=N/[C@@H]1CCCN(c2nccnc2O)C1 328635546 NJZPZGNLFXNSHB-CYBMUJFWSA-N 334.420 2.457 30 50 EEEA O/C(=N/C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCc2nn[nH]c2C1 329046222 PXJLGQFPIJACCL-BFVZDQMLSA-N 346.353 2.350 30 50 EEEA OC(=Nc1ccn2ccnc2c1)N1CCC(O)(C(F)(F)F)CC1 329437710 AINANRPIXOBBCM-UHFFFAOYSA-N 328.294 2.269 30 50 EEEA CSC[C@@H](C)C(=O)N1CCC(C(=O)N(C)C2(C#N)CCC2)CC1 253431553 HKNYOKBPLGWPJT-CYBMUJFWSA-N 337.489 2.129 30 50 EEEA CN1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 609491460 ZDEHPIZLMNEPPX-LJQANCHMSA-N 340.471 2.077 30 50 EEEA CC1(C(=O)N2CCC[C@H](Cn3cc(C4CC4)nn3)C2)CC(C#N)C1 1875323472 JMWJSHWROLXBKF-VNSJNIRKSA-N 327.432 2.334 30 50 EEEA C/C(=N\C(=S)Nc1nc(C)cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 6382148 BNHNPPMZGIANCR-CXUHLZMHSA-N 331.357 2.193 30 50 EEEA C#CCCC1(CCNC(=O)CCc2nc(O)c3ccccc3n2)N=N1 2325887477 VKKWLGQDAPDYPA-UHFFFAOYSA-N 337.383 2.350 30 50 EEEA Cc1cc(=NCC2(N3CCOCC3)CCCCC2)[nH]c(C)c1C#N 2356149488 CYTJSUBCOBJOHP-UHFFFAOYSA-N 328.460 2.439 30 50 EEEA COc1ccc(C(=O)/C=C/Nc2ccc(S(N)(=O)=O)cc2)cc1 2899194 AYBJEFYSKMWAOC-ZHACJKMWSA-N 332.381 2.151 30 50 EEEA C[C@H](Oc1cccc(C#N)c1)C(=O)NS(=O)(=O)CCC(C)(C)C 112761023 BEVDWVMREJXVJS-LBPRGKRZSA-N 338.429 2.208 30 50 EEEA CC(C)CC(=O)N1CCC(/N=C(/O)N[C@]2(C)CCCOC2)CC1 329146757 OOTISTAUVMGMPY-QGZVFWFLSA-N 325.453 2.096 30 50 EEEA Cc1ccc(CN2CCN(Cc3cc(C#N)n(C)c3C)CC2=O)cc1 72169877 PJVRBFKSLZZVML-UHFFFAOYSA-N 336.439 2.358 30 50 EEEA C=CCN1C[C@@H]2CN(C(=O)c3cc(C(C)C)oc3C)C[C@]2(C(=O)O)C1 91593030 GWNTXFPYHBHICN-AUUYWEPGSA-N 346.427 2.356 30 50 EEEA N#Cc1ncccc1-c1cccc(C(=O)N[C@H]2CN3CCC2CC3)c1 299767866 WTYDLTAKFWSRSF-IBGZPJMESA-N 332.407 2.444 30 50 EEEA CCCCNc1cc(C#N)ccc1S(=O)(=O)NCCc1cn[nH]c1 1775985742 ZYKNPWUMSSXIRX-UHFFFAOYSA-N 347.444 2.014 30 50 EEEA Cn1nc2c(c1-c1ccccc1)CCN(c1nccnc1C#N)CC2 1857695819 ZFSCNICATVAKBI-UHFFFAOYSA-N 330.395 2.354 30 50 EEEA C#CCCC1(CCNC(=O)c2nnc3c(F)cccc3c2O)N=N1 2325891395 DEKKLSFRYMNMNG-UHFFFAOYSA-N 327.319 2.170 30 50 EEEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 4867335 HNXQTDATLNZKCP-UHFFFAOYSA-N 346.408 2.412 30 50 EEEA COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1 7945872 GCBBMYIHQHIDEB-GZTJUZNOSA-N 334.397 2.325 30 50 EEEA C=C(C)COc1cccc(C(=O)N[C@H](COC)c2ccnn2C)c1 55308530 AMQOLPZVTZCURS-MRXNPFEDSA-N 329.400 2.493 30 50 EEEA N#CC1(C(=O)N2CCC[C@](CO)(Cc3ccccc3)C2)CCOCC1 368291124 LMANNLFSQWMHCV-IBGZPJMESA-N 342.439 2.151 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2CCN(c3ccc(C)cc3)C2=O)N=N1 1875380873 CQJYOJMZSZNLOE-INIZCTEOSA-N 338.411 2.430 30 50 EEEA C#CC[C@H]1NC(=O)N(CCOc2ccccc2C(F)(F)F)C1=O 225542800 YSXNKJDYMYAWRA-LLVKDONJSA-N 326.274 2.028 30 50 EEEA COc1ccc(/C=N/n2c(S)nnc2C(F)(F)F)cc1OC 565103 OSMJXKKZSWDYBX-OMCISZLKSA-N 332.307 2.485 30 50 EEEA N#Cc1c[nH]c2ccccc2c1=N[C@@H]1CCN(C(=O)c2cccnc2)C1 378157619 IJASUAOEMUCGMI-MRXNPFEDSA-N 343.390 2.250 30 50 EEEA CC(C)(C)N1CC[C@@H](N2CCN(c3ccc(C#N)cc3)CC2)C1=O 879586879 YCJYLALUGIFAFG-QGZVFWFLSA-N 326.444 2.080 30 50 EEEA CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(O)=Nc1ccccn1 328634242 TWKDNXPWDSHHAL-WMLDXEAASA-N 342.447 2.376 30 50 EEEA N#Cc1ccc(OC2CCC(Nc3nccn4cnnc34)CC2)nc1 253419119 ZUDOLMOJVKDPBJ-UHFFFAOYSA-N 335.371 2.193 30 50 EEEA Cc1c(CN2CCCC[C@@H]2CCN2CCOCC2)cc(C#N)n1C 77505628 MXXNYLGHJZXLDA-GOSISDBHSA-N 330.476 2.282 30 50 EEEA C=CCN1CCC(/N=C(/O)Nc2cn(C)nc2C(F)(F)F)CC1 331331890 USXQSKHTBQHAAF-UHFFFAOYSA-N 331.342 2.415 30 50 EEEA COCc1nc([C@H]2CN(c3nc(C)ccc3C#N)C[C@@H]2C2CC2)n[nH]1 952849865 HHNRZRUWLRCQRR-CABCVRRESA-N 338.415 2.156 30 50 EEEA COc1ccc(/C=N/Nc2cnnn2C)cc1OCc1cccnc1 1875252943 MSQFOFVBMKFROO-VXLYETTFSA-N 338.371 2.244 30 50 EEEA Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)c2cccnc2C#N)s1 276940407 ATSKWFOABARKLQ-SNVBAGLBSA-N 336.442 2.408 30 50 EEEA CC(C)S(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 204335675 DIHPCBICXLFFQP-UHFFFAOYSA-N 325.239 2.136 30 50 EEEA O=C(/C=C/c1ccc(I)o1)c1ccc[n+]([O-])c1 25667173 ILKDRLHDALJLNT-HWKANZROSA-N 341.104 2.414 30 50 EEEA Cc1ccn2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)nc2c1 20637464 JWDPUVAPYXZUKN-UHFFFAOYSA-N 345.406 2.477 30 50 EEEA CCn1cc([C@H]2OCCC[C@@H]2/N=C(/O)N[C@@H](COC)C2CC2)cn1 328634582 UFGVMCOCWJTTHD-HRCADAONSA-N 336.436 2.052 30 50 EEEA N#Cc1ncccc1-c1ccc(C(=O)NCCCN2CCCC2=O)cc1 426739150 ZBIDSDQNSCSJBC-UHFFFAOYSA-N 348.406 2.363 30 50 EEEA C=CCN1C[C@@H](C(=O)Nc2ccccc2Cn2ccnc2C)CC1=O 952862348 OWJROIGHZWOMCD-INIZCTEOSA-N 338.411 2.213 30 50 EEEA COC(=O)c1cc(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)ccc1C 194816893 DUNCKNZHJRHYTB-INIZCTEOSA-N 336.413 2.094 30 50 EEEA CCOC(=O)CNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1 4121366 VSJSRIYFTDQIDB-UHFFFAOYSA-N 329.396 2.026 30 50 EEEA Cc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)ccc1C#N 348260535 NXALUUMETREICA-GUYCJALGSA-N 343.333 2.488 30 50 EEEA COc1ccc(CN[C@@H]2CCCN(c3cnn(C)c3)C2)cc1C#N 174518437 YWDKKYJKVVDFID-MRXNPFEDSA-N 325.416 2.059 30 50 EEEA N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2sccc2N)cc1 222736074 RBAGBCPYQXKQEN-HUUCEWRRSA-N 343.408 2.168 30 50 EEEA N#Cc1cccc(-n2ccc(C(=O)N3CCCC[C@H]3c3nnc[nH]3)n2)c1 296529536 WQMJHYUBBRUQPX-INIZCTEOSA-N 347.382 2.229 30 50 EEEA COc1ccc(CN[C@H]2CCO[C@H](c3cncn3C)C2)cc1C#N 275662345 VCZMXUSLXVAMHR-YJBOKZPZSA-N 326.400 2.310 30 50 EEEA C=CCN1C(=O)/C(=C\c2cn(C)c3ccccc23)C(=O)N=C1S 1302085 RFETVMLQILOEQN-LCYFTJDESA-N 325.393 2.402 30 50 EEEA C=CCN(CC=C)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 12379627 OUXKPDIGWVAZJM-OAHLLOKOSA-N 341.411 2.199 30 50 EEEA C=CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 2851517 RISCQYKYVBKSDR-GFCCVEGCSA-N 342.848 2.043 30 50 EEEA C=CCNS(=O)(=O)c1ccc(NC(=O)c2cccc(OC)c2)cc1 6741781 KTJXSOQAQXPZFM-UHFFFAOYSA-N 346.408 2.412 30 50 EEEA CCCS(=O)(=O)NC[C@@H]1CCCN(Cc2ccccc2C#N)C1 67714475 RVZKTWJMGSUSFI-HNNXBMFYSA-N 335.473 2.100 30 50 EEEA C=CCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 77357830 UUTPNRUVXYHUOR-LJQANCHMSA-N 342.443 2.092 30 50 EEEA N#Cc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1cscn1 218578535 QBTNXCOPPFPRNP-HZPDHXFCSA-N 343.408 2.119 30 50 EEEA C[C@@H](c1nnc(O)[nH]1)n1ccnc1-c1ccc(C#CC(C)(C)O)s1 71404089 AUOYCUZOBQYMKO-JTQLQIEISA-N 343.412 2.167 30 50 EEEA CN(C)CCCn1ccnc1[C@@H]1CCCN(c2cccc(C#N)n2)C1 95528526 XUSIKXOKCYQJKQ-MRXNPFEDSA-N 338.459 2.485 30 50 EEEA N#Cc1ccc(NC2CCN(C(=O)[C@H]3CCC(F)(F)C3)CC2)nc1 366690282 ZRDRQDZOPQOISA-ZDUSSCGKSA-N 334.370 2.792 30 50 EEEA C#CCCC1(CCNC(=O)CC2(Cn3cnnn3)CCCCC2)N=N1 2325891371 BMAWEYGFXDNOOC-UHFFFAOYSA-N 343.435 2.096 30 50 EEEA CNC(=O)CN(Cc1ccccc1)C(=O)Cc1c(C)cc(C#N)cc1C 913779284 SGVINBQTRYARMA-UHFFFAOYSA-N 349.434 2.492 30 50 EEEA Cc1cc([C@@H]2CCCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)n[nH]1 229923343 JPOWTANSJZRTNB-IAGOWNOFSA-N 340.427 2.209 30 50 EEEA CC(C)n1cc([C@@]2(O)CCCN(Cc3cc(C#N)ccc3F)C2)nn1 284524059 FROPUFPICDHDQN-GOSISDBHSA-N 343.406 2.353 30 50 EEEA C=CC[C@]1(CO)CCCN(C(=O)c2ccccc2N2CCOCC2)C1 91548590 KUHBDIIICKNTMU-FQEVSTJZSA-N 344.455 2.314 30 50 EEEA O=C1Oc2ccccc2C(=O)/C1=C\N[C@@H]1CCc2ccccc2NC1=O 828320609 UTBVDRVTKTUMLA-WSYSLRRZSA-N 348.358 2.215 30 50 EEEA biogenic C#CCCC1(CCC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)N=N1 1875382197 UINSKFPVILOAQR-HNNXBMFYSA-N 330.432 2.392 30 50 EEEA Cc1ccnc(NC[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1C#N 886088693 NCYGIWZHYYAJCF-DYVFJYSZSA-N 338.415 2.017 30 50 EEEA CS(=O)(=O)NC[C@@H]1CCC[C@H]1/N=C(/O)c1cc(O)ccc1Cl 330607334 LNJCCWAPSMAGGL-TVQRCGJNSA-N 346.836 2.068 30 50 EEEA CC1=CC(=O)[C@@H](C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])C(=O)O1 128395100 FUVANBKQAZLNOI-JBQRSBCVSA-N 335.699 2.476 30 50 EEEA N#Cc1cccc(C2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)c1 92062352 MQGWHUUQOXCAKG-KRWDZBQOSA-N 340.427 2.055 30 50 EEEA C[C@@H](NCc1ccnn1[C@@H]1CC1(F)F)C(=O)Nc1ccccc1C#N 1875281103 PPLNHOTYVIZVIW-IAQYHMDHSA-N 345.353 2.452 30 50 EEEA C=CCN1CCN(C(=O)COc2cccc(Br)c2)CC1 12343747 CHOSVFJKHYLIFY-UHFFFAOYSA-N 339.233 2.158 30 50 EEEA COc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nnnn21 13130886 MRXNACXGQHZJLD-OAHLLOKOSA-N 325.372 2.340 30 50 EEEA COc1ccc(Br)cc1/C=N/N=C1/NC(=O)CS1 15686596 BJFROZBDGGRSHP-WLRTZDKTSA-N 328.191 2.011 30 50 EEEA CCc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc(C#N)c(O)nc2C)C1 67947966 WKXLIAKTHTUMHO-CYBMUJFWSA-N 339.399 2.273 30 50 EEEA C=C(C)CN1CCC(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 121874019 ZPMKGRLDKAMYCX-APWZRJJASA-N 335.492 2.364 30 50 EEEA Cc1cc(N2CCC[C@H](N/C(O)=N/[C@@H](C)c3nccs3)C2)n(C)n1 328597172 FDJOQCFMPZMVEY-STQMWFEESA-N 348.476 2.419 30 50 EEEA N#Cc1cc2c(=O)n([C@H](CO)CC3CCCCC3)ccc2[nH]c1=O 67817901 YWONGQGLCJJHRP-AWEZNQCLSA-N 327.384 2.065 30 50 EEEA C=CCC(C(=O)OC)(C(=O)OC)c1c(Cl)cccc1[N+](=O)[O-] 12950270 HYUFSKWTDGIWLZ-UHFFFAOYSA-N 327.720 2.408 30 50 EEEA Cc1cc(C#N)nc(N[C@H]2CCN(c3c(F)cccc3F)C2=O)n1 376445603 CEOHKUKDIBPFRF-ZDUSSCGKSA-N 329.310 2.152 30 50 EEEA N#Cc1ncn(Cc2cccc(C(=O)NCc3ccco3)c2)c1C#N 180417217 BLRZWFIBUWOMID-UHFFFAOYSA-N 331.335 2.198 30 50 EEEA N#C[C@H]1CCCN(C(=O)c2cccc(C3=CCCS3(=O)=O)c2)C1 299800480 WWPIEWHDIFGRKQ-CYBMUJFWSA-N 330.409 2.222 30 50 EEEA N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H]1C[C@]1(C(=O)O)c1ccccc1)C2 905126406 OYJAGFNJGCCULF-UEXGIBASSA-N 346.386 2.184 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 443739 GFCXXUDGARUXQC-OAHLLOKOSA-N 339.307 2.479 30 50 EEEA CCOC(=O)c1cn2c(C)ccc(B3OC(C)(C)C(C)(C)O3)c2n1 170006785 ADAJDFYOBNJJTA-UHFFFAOYSA-N 330.193 2.119 30 50 EEEA CC(C)(C)OC(=O)N[C@@H](C(=O)NCC#N)c1c(F)cccc1F 294677775 WNWFXJBHJDTYRR-GFCCVEGCSA-N 325.315 2.170 30 50 EEEA C[C@@H](SCc1nc(O)c2ccccc2n1)C(=O)N1CC[C@@H](C#N)C1 1875268077 NNYJQBAXZUNMIN-NEPJUHHUSA-N 342.424 2.329 30 50 EEEA O=S1(=O)CCC[C@@H](N/C(O)=N/CCc2cc3ccccc3o2)C1 329770397 FYRFGHIXLCIKPE-CYBMUJFWSA-N 336.413 2.056 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)N(CCC#N)CC(F)(F)F 170609092 HJRZIJVOLNKDJK-UHFFFAOYSA-N 331.319 2.333 30 50 EEEA CCOC(=O)c1oc2ccc(S(=O)(=O)NC3(C#N)CC3)cc2c1C 191549003 UMQGRBWOXHLEKB-UHFFFAOYSA-N 348.380 2.252 30 50 EEEA N#Cc1ccccc1CN1CCC[C@H](n2ncc(N3CCC3)cc2=O)C1 328604280 JFGFTULYGFLBBT-SFHVURJKSA-N 349.438 2.162 30 50 EEEA N#Cc1cc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)ccc1F 375168211 UTNQOGDCZJVBGG-IBGZPJMESA-N 335.338 2.433 30 50 EEEA C#CCCC1(CCC(=O)NCc2ccc(C(=O)O)cc2OC)N=N1 2325900690 FZPGQZMYJMLNJK-UHFFFAOYSA-N 329.356 2.365 30 50 EEEA CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)/C(O)=N/Cc1ccoc1 328630928 JXEIHISZHMWCIF-HOTGVXAUSA-N 347.394 2.028 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1/C(O)=N/C[C@H](O)c1ccco1 328608490 AOVDJOAREAVNDK-XEZPLFJOSA-N 333.388 2.398 30 50 EEEA CCn1nccc1[C@@H]1OCCC[C@H]1CNCc1cc(C#N)n(C)c1 886085246 IKMLANMBDAGKMH-MAUKXSAKSA-N 327.432 2.371 30 50 EEEA Cc1c(CNC(=O)Nc2cc(C#N)c(Br)cn2)cnn1C 170089639 DORZRBPZTWJNCR-UHFFFAOYSA-N 349.192 2.079 30 50 EEEA COc1ccc(C/C(N)=N/OC(=O)Cc2ccccc2)cc1OC 5107653 VLWWZXNUVCQUAJ-UHFFFAOYSA-N 328.368 2.304 30 50 EEEA CC#CC(=O)N1CCC[C@](Cc2cccc(OC)c2)(C(=O)OCC)C1 12226816 OKCIOFKIONUZKR-HXUWFJFHSA-N 343.423 2.433 30 50 EEEA O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2ccncc2)c1 1817789 FKTYHWLFHYLDAI-CXUHLZMHSA-N 326.341 2.419 30 50 EEEA CCOc1ccc([C@H]2CCCN2C(=O)Cn2cnc(C#N)c2C#N)cc1 126190198 KOQDIAAXCLBBGR-QGZVFWFLSA-N 349.394 2.389 30 50 EEEA O/C(=N/Cc1noc2c1CCCC2)N[C@@H]1CCOC2(CCOCC2)C1 329527914 IAVBXSDBRIYNMZ-CYBMUJFWSA-N 349.431 2.285 30 50 EEEA C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H](c2ccsc2)O1 241644559 PRSXOTKGHMZOOP-RISCZKNCSA-N 349.437 2.165 30 50 EEEA C=CCCC(=O)N1CCC[C@@H](c2nnc(Cn3ccnc3C)n2C)C1 95386135 VIKGXQIPYCIVHV-OAHLLOKOSA-N 342.447 2.041 30 50 EEEA C[C@@H]1C[C@H](CNc2ccc(S(=O)(=O)N(C)CC#N)cc2)CCO1 952850298 WRJJWVHLNFHQPN-ZIAGYGMSSA-N 337.445 2.058 30 50 EEEA CC1=C(Br)CN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 281055341 JMGVYRABMGIIHN-CQSZACIVSA-N 328.254 2.415 30 50 EEEA CCOC(=O)/N=C(\NC(=O)Nc1ccc(C(=O)OCC)cc1)OC 13116150 GPWZKKSEIWIXPY-UHFFFAOYSA-N 337.332 2.144 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H](C)c2nc(C(=O)OC)cs2)N=N1 2325899577 LVQJGMHIHXGWLD-JTQLQIEISA-N 334.401 2.463 30 50 EEEA C#CCN1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 230200157 SZTUJHLYHVQZML-APWZRJJASA-N 343.446 2.256 30 50 EEEA C[C@@H]1CC(O)=N[C@H](C(=O)N2CSC[C@H]2/C(O)=N/CC2CC2)C1 328778092 DIPIQGOAVJVOGJ-DLOVCJGASA-N 325.434 2.009 30 50 EEEA O/C(=N/[C@H]1[C@@H]2c3ccccc3CC[C@H]21)N1CCC[C@H]1Cn1ccnn1 329043455 IVBIWHOSQIBVRE-DZOHQFGASA-N 337.427 2.385 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)o1 221167890 QSBVKVCXIKFNKM-CYBMUJFWSA-N 333.384 2.262 30 50 EEEA C=CCN(CCC#N)S(=O)(=O)c1cc(C(=O)O)cc(C)c1Cl 291906834 LPEHRGAXMJXWPR-UHFFFAOYSA-N 342.804 2.437 30 50 EEEA C=CCN1C(=O)N[C@H]2c3cccc(OCC)c3O[C@@]1(C)[C@H]2C(=O)OC 247867535 YGPQEPIZTCXYKS-GLJUWKHASA-N 346.383 2.235 30 50 EEEA Cc1nnc([C@H]2CCCN(C(=O)COc3ccccc3C#N)[C@H]2C)o1 886084864 MHYPHWXSGWLQIX-WFASDCNBSA-N 340.383 2.423 30 50 EEEA N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 281342909 KAGKQELITYIBTE-IPMKNSEASA-N 341.455 2.190 30 50 EEEA C#CCOc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1 408520435 FDSVLLICUSCFEI-CRAIPNDOSA-N 339.395 2.082 30 50 EEEA N#Cc1ccccc1OCC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 225537540 VZIOOKYATDORJK-SJORKVTESA-N 340.354 2.411 30 50 EEEA C#CCNC(=O)c1ccc(NCc2ccccc2-n2ccnc2)nc1 195575631 SJYHHAALEPOPQW-UHFFFAOYSA-N 331.379 2.242 30 50 EEEA CCOc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1 5001084 WXOPMRUHKRXZHH-UHFFFAOYSA-N 325.368 2.374 30 50 EEEA Cc1noc([C@H](NC(=O)c2sccc2C#N)C2CCOCC2)n1 328609207 CLRSHAAZYMJDAM-GFCCVEGCSA-N 332.385 2.209 30 50 EEEA C=C(C)CN1CCC(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 121874206 ZPMKGRLDKAMYCX-QFBILLFUSA-N 335.492 2.364 30 50 EEEA Cn1nccc1N/C(O)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328614532 AIEPCZCUBMFAGO-SECBINFHSA-N 342.325 2.224 30 50 EEEA Cc1c(O)ccc(C=NNc2nc3ccccc3n3cnnc23)c1O 252679362 LHFLDSVQKJUNSZ-UHFFFAOYSA-N 334.339 2.443 30 50 EEEA COCCN(CCOC)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169745846 AFZUICGXJWDQNH-UHFFFAOYSA-N 349.280 2.081 30 50 EEEA in-vitro Cn1cc(C#N)c(NS(=O)(=O)Cc2ccccc2C(F)(F)F)n1 127141841 UPTDOJHOJMDGSF-UHFFFAOYSA-N 344.318 2.252 30 50 EEEA N#Cc1cccc(Cl)c1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 284660760 GXPWUQQOZUPBND-XJKSGUPXSA-N 333.819 2.318 30 50 EEEA CCCNC(=O)COc1cc(C#N)ccc1I 241720876 QSZGOLWQYDLGIA-UHFFFAOYSA-N 344.152 2.068 30 50 EEEA CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(CC#N)c1 286593765 ALRBLKWNKBFBMB-RCCFBDPRSA-N 328.412 2.409 30 50 EEEA C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1 12343813 FKYHKZYDQJRUJN-UHFFFAOYSA-N 342.420 2.354 30 50 EEEA CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)n(C)n1 2735901 DQFQBIATIYZVSC-UHFFFAOYSA-N 344.396 2.271 30 50 EEEA N#Cc1cc2c(nc1N1CCC3(CC1)OCCC[C@@H]3O)CCCC2 91849078 CDIHPQUSWSIUQO-KRWDZBQOSA-N 327.428 2.342 30 50 EEEA CSCCN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1 952990650 WVVDJTOKXSFSFG-UHFFFAOYSA-N 332.513 2.290 30 50 EEEA C=C(C)C(=O)c1cn(CC(=O)NCCC(=O)OC)c2ccccc12 408522598 KBYYSMIDMSIKJU-UHFFFAOYSA-N 328.368 2.079 30 50 EEEA C=C(C)CNC(=O)CCS(=O)(=O)c1cccc(Br)c1 416209228 JJPMWQWPXIRBNB-UHFFFAOYSA-N 346.246 2.305 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1 283324 DYSKBOCYGXONHA-OAHLLOKOSA-N 339.307 2.479 30 50 EEEA CC1(C)OB(c2ccc(Cl)cc2CS(C)(=O)=O)OC1(C)C 170017341 KWVRQJJOPHHHNS-UHFFFAOYSA-N 330.642 2.184 30 50 EEEA C#CCCCCC(=O)NS(=O)(=O)c1ccc2onc(Cl)c2c1 864087894 VZPXPTIUPCUBBL-UHFFFAOYSA-N 340.788 2.480 30 50 EEEA CC(C)n1cnc(/C(O)=N/C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c1 328586620 LUSHKARWWDGEOW-DLBZAZTESA-N 342.443 2.404 30 50 EEEA Cc1noc([C@@H](/N=C(/O)c2cnc(C)nc2C)C2CCOCC2)n1 328608841 BKSGPUKSSQWZBI-AWEZNQCLSA-N 331.376 2.257 30 50 EEEA CSCCC(=O)N1C[C@H](C2CC2)[C@@H](Nc2ccc(C#N)cn2)C1 91768819 TVTCYANGTRDAAQ-CABCVRRESA-N 330.457 2.355 30 50 EEEA CC1(C)CN(S(=O)(=O)CC2(C#N)CC2)[C@@H]1c1nccn1C1CC1 952894289 MZLSWEMVIDHJBO-CYBMUJFWSA-N 334.445 2.234 30 50 EEEA C[C@H](CC#N)NC(=O)c1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 408522329 HSCHYKNDZGRFQT-SNVBAGLBSA-N 336.392 2.466 30 50 EEEA CN(C)c1n[nH]c(C2CCN(c3snc(Cl)c3C#N)CC2)n1 225813130 QDADPUKGFULANN-UHFFFAOYSA-N 337.840 2.236 30 50 EEEA C=CCn1ncc(CN2CCO[C@H](CO)[C@H]2c2ccccc2)c1C 1529195629 MIXFZWZQIGRFEW-RTBURBONSA-N 327.428 2.312 30 50 EEEA COc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1 100418173 JNPHGJCWXCZFFW-CYBMUJFWSA-N 342.395 2.413 30 50 EEEA CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](N2CCCCCC2)C1 229596142 LGMILPKKUHNLOC-MJGOQNOKSA-N 334.508 2.381 30 50 EEEA CC(C)(CO)COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C#N 170018735 AEPRNVIJPREAFO-UHFFFAOYSA-N 331.221 2.255 30 50 EEEA N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1[C@@H]1COCC[C@H]1O 253395434 DOLJQMUTIKXPPW-YNEHKIRRSA-N 341.333 2.338 30 50 EEEA CCCCN/C(O)=N/S(=O)(=O)c1ccc(Br)cc1 40116216 KLOWSURKNGZRKF-UHFFFAOYSA-N 335.223 2.442 30 50 EEEA COc1ccc(OC)c([C@@H](C)NC(=O)COc2cncc(C#N)c2)c1 952882172 JCNAAWJOMLDORU-GFCCVEGCSA-N 341.367 2.227 30 50 EEEA Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 190516077 IOZKYBLWNXHJAT-ZDUSSCGKSA-N 343.456 2.245 30 50 EEEA OC(=Nc1ccccc1CN1CCN=C1O)N[C@H]1CCO[C@@H]1C1CC1 328587436 SBMLXNMXBIFKTF-JKSUJKDBSA-N 344.415 2.119 30 50 EEEA N#Cc1ccc(-c2ccc(OC[C@@H](O)CN3CCOCC3)cc2)cc1 19331869 WQKZIQOVSHBBLN-IBGZPJMESA-N 338.407 2.297 30 50 EEEA C=CCC1(C(=O)NC[C@@H](O)C(=O)OCc2ccccc2)CCCC1 408519582 ZPCVEQWAFRWKOY-MRXNPFEDSA-N 331.412 2.343 30 50 EEEA COc1cc([C@@H]2NC(=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC 67209 SIKIJTRPERTCRJ-INIZCTEOSA-N 346.383 2.416 30 50 EEEA CS(=O)(=O)c1ccccc1N1CCN(c2ccccc2C#N)CC1 265606879 UHVNLVITMOBCRF-UHFFFAOYSA-N 341.436 2.288 30 50 EEEA CO[C@H]1CN(C(=O)c2cc(F)cc(C#N)c2)C[C@H]1Cc1cc(C)no1 1704278427 YTUKMHPNBXIPNY-PBHICJAKSA-N 343.358 2.324 30 50 EEEA C=CCS[C@H](C)C(=O)N1CCN(Cc2ccccc2CO)CC1 55196318 NJBNAQNRKDHXHF-OAHLLOKOSA-N 334.485 2.131 30 50 EEEA COc1nnc(N/C(O)=N/[C@H](c2ccccc2)c2ccncc2)s1 328588778 PPXPWJJFQQJCFB-CYBMUJFWSA-N 341.396 3.057 30 50 EEEA Cn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CCCC3)n1 2779583 NWLZFAZRZCUAEA-UHFFFAOYSA-N 331.357 2.393 30 50 EEEA Cn1nccc1[C@H]1OCC[C@@H]1NCc1ccc(C#Cc2cn[nH]c2)cc1 1775985144 OGRZNZYZFRXPCP-ICSRJNTNSA-N 347.422 2.163 30 50 EEEA N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccccc1O 6025589 PJTXXBJEZXRNPS-MNAFEPAFSA-N 344.758 2.091 30 50 EEEA O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1cccs1 12732433 LXCQOWMXWYETJC-FOCLMDBBSA-N 336.438 2.216 30 50 EEEA C=CC[C@@H](CC)NC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 390834716 TVKYZINHZBZGNN-CYBMUJFWSA-N 333.436 2.418 30 50 EEEA C#CCCC1(CCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)N=N1 2325886109 QKLJMWYAEBXMRV-LSDHHAIUSA-N 338.411 2.150 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2C[C@H]3C[C@H]2[C@@H]2OC(C)(C)O[C@@H]23)N=N1 2325891668 UVCCIRVFACRJDH-RYPNDVFKSA-N 331.416 2.244 30 50 EEEA C=C(C)CN1CCN(C(=O)c2cc3cc(OC)ccc3oc2=O)CC1 54284379 XILMQSYMPGNRPG-UHFFFAOYSA-N 342.395 2.136 30 50 EEEA C=C(C)COc1ccccc1C(=O)NCC(=O)Nc1nccs1 55153662 HIQOWCQBBJRKHI-UHFFFAOYSA-N 331.397 2.467 30 50 EEEA C=C(C)CN(CC)C(=O)C(=O)Nc1cc(-c2nnco2)ccc1C 154706649 BWKLXGDYOZURHT-UHFFFAOYSA-N 328.372 2.408 30 50 EEEA COc1ncc(-c2c(C#N)c(N)nc3c2Cc2ccc(O)cc2-3)cn1 71754571 ZQOFQPOFTUYDQP-UHFFFAOYSA-N 331.335 2.278 30 50 EEEA Cc1n[nH]c(C)c1CCNC(=O)c1cccc(C#CC(C)(C)O)c1 828172168 GUMZUIUMPJBYLP-UHFFFAOYSA-N 325.412 2.121 30 50 EEEA C#CCCC1(CCC(=O)NCc2c(C(F)(F)F)cnn2C)N=N1 952881205 LMWCVFOVYDIOSZ-UHFFFAOYSA-N 327.310 2.411 30 50 EEEA CCOc1cc(C#N)ccc1O[C@H]1CCN(CC(F)(F)F)C1=O 109716232 LDKQTASPVCZIFE-LBPRGKRZSA-N 328.290 2.499 30 50 EEEA Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnc2c(c1)COCC2 239761376 CJTKZYWQIDFHSM-UHFFFAOYSA-N 329.381 2.135 30 50 EEEA Cc1cc(NC(=O)NC(C)(C)C(=O)NCC(C)(C)C)nn1CCC#N 252498944 RRMVSPAUMMYCDM-UHFFFAOYSA-N 348.451 2.168 30 50 EEEA CC1(C)Cc2ccccc2C2=C(C(=O)N3CCCCC3)C(=O)C(=O)N21 2053276 RTEQYHPEWQWVDH-UHFFFAOYSA-N 338.407 2.156 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc([N+](=O)[O-])c1 4851800 LBFROITUFGMIMA-HNNXBMFYSA-N 339.307 2.479 30 50 EEEA Cc1cc(C)c2c(c1)/C(=N/OCc1nsc(N(C)C)n1)C(=O)N2 134659959 YHURZDQAMLSJDY-UHFFFAOYSA-N 331.401 2.094 30 50 EEEA Cn1c(CCNC(=O)c2cccc(C#N)c2)nnc1-c1ccccc1 361539519 VKJNIKWVEKKESB-UHFFFAOYSA-N 331.379 2.326 30 50 EEEA CC(C)CN1CCN(C(=O)Nc2ccc(C#N)cc2F)[C@@H](C)C1=O 96166761 DYQULCNHGUDMQR-LBPRGKRZSA-N 332.379 2.418 30 50 EEEA N#Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3cccnc3)C2)cn1 299794039 HXDSCPNYGMAAMC-QGZVFWFLSA-N 336.399 2.134 30 50 EEEA N#Cc1nc(NC[C@]2(N3CCOCC3)CCSC2)ccc1Cl 301154080 QMFAXLXSFGUAAH-OAHLLOKOSA-N 338.864 2.226 30 50 EEEA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCC#N 171595046 MFFIHIJSFPPIGA-KRWDZBQOSA-N 326.400 2.025 30 50 EEEA Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)o1 19883561 UYFNGXJMWHPRLA-OAHLLOKOSA-N 344.367 2.321 30 50 EEEA CC(C)(C)NC(=O)c1cc(C#N)cc(B2OC(C)(C)C(C)(C)O2)c1 206481765 NIOAAWIYVNEMED-UHFFFAOYSA-N 328.221 2.386 30 50 EEEA in-vitro CC(C)(C)n1cc(CN2CCO[C@H](c3cccc(C#N)c3)C2)nn1 253431125 QEWIQNQLGCHGIU-KRWDZBQOSA-N 325.416 2.478 30 50 EEEA C[C@@H]1Cc2cc(F)ccc2CN1Cc1cc(O)n2ncc(C#N)c2n1 2325771957 GAMSKZKQUPZZPB-LLVKDONJSA-N 337.358 2.392 30 50 EEEA C#CCCC1(CCC(=O)NCc2cc(O)nc(C3CCC3)n2)N=N1 2325892484 OVMIDXSUPXKPIF-UHFFFAOYSA-N 327.388 2.422 30 50 EEEA CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)O)c2cccc(C#N)c2)CC1 4241824 RPXHJMPXOXMYHN-OAHLLOKOSA-N 345.399 2.237 30 50 EEEA C=CCN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 67948038 XFKXEYHUKZPZAR-OAHLLOKOSA-N 346.452 2.302 30 50 EEEA CN(Cc1c(F)cccc1Cl)C(=O)Cn1cnc(C#N)c1C#N 180424671 GFPXIRLXJAOPNJ-UHFFFAOYSA-N 331.738 2.078 30 50 EEEA Cc1ccc(S(=O)(=O)OCCOCCOCCN=[N+]=[N-])cc1 95495895 PTOJCKLTCKYNFG-UHFFFAOYSA-N 329.378 2.044 30 50 EEEA CC/N=C(/NCC(C1CC1)C1CC1)N1CC[C@@H](CN2CCOCC2)C1 86535991 QNMFDMAYIWVJOF-INIZCTEOSA-N 348.535 2.042 30 50 EEEA Cc1c(Cl)cnc(N2CCCC[C@@H]2C(=O)N2CCOCC2)c1C#N 253426328 DWDLHCXPEAFLJV-OAHLLOKOSA-N 348.834 2.133 30 50 EEEA CCN1C(=O)CC[C@H](CNc2ccc(C#N)nc2)[C@H]1c1cnn(C)c1 888102637 CPDWTCBMRRJSOY-ACJLOTCBSA-N 338.415 2.098 30 50 EEEA C=C(CNC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1)c1ccccc1 655925380 ZZHDVNJLZQQZPO-SFHVURJKSA-N 348.468 2.310 30 50 EEEA C#CCCC1(CCNC(=O)c2ccnc(NC(=O)C3CC3)c2)N=N1 2325891711 WZHRONPQMCJOSA-UHFFFAOYSA-N 325.372 2.126 30 50 EEEA CN(c1cnc(C#N)cn1)[C@@H]1CCN(c2ccccc2Cl)C1=O 124364121 BCJPRMLLOIIVAD-CQSZACIVSA-N 327.775 2.243 30 50 EEEA C=CC[C@]1(C(=O)O)CCCN(C(=O)c2cc(C(C)(C)C)nc(O)n2)C1 91665125 BOXXXZZVKMKYTC-SFHVURJKSA-N 347.415 2.363 30 50 EEEA C=CCN1C[C@H](C(=O)NC(C)(C)c2ccc(OC)c(OC)c2)CC1=O 820474771 CHDCYXJKJUOTEF-CYBMUJFWSA-N 346.427 2.090 30 50 EEEA CN(C(=O)Cc1cccc(N2CCCC2=O)c1)c1cccc(C#N)n1 1875276918 MRZMPEIRDIZIQW-UHFFFAOYSA-N 334.379 2.286 30 50 EEEA C=CCC(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 12589333 RHQWURNGSVCTTK-GFCCVEGCSA-N 326.318 2.499 30 50 EEEA C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 248160985 XMIRUZDMSYIKOS-USXIJHARSA-N 327.428 2.411 30 50 EEEA COCCn1ccnc1C1CCN(c2ccnc(OC)c2C#N)CC1 95500782 MGYIUCGMTIPGKP-UHFFFAOYSA-N 341.415 2.189 30 50 EEEA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](c2ncon2)C1 2325774395 YNAZIDNYTBWGLE-TZMCWYRMSA-N 326.356 2.115 30 50 EEEA C=C(C)CNS(=O)(=O)c1cc(Br)c(C)c(C(=O)O)c1 122506252 FUAWKSVFOIHZBG-UHFFFAOYSA-N 348.218 2.310 30 50 EEEA O=C(c1cnc2ccccn2c1=O)N(CC#Cc1ccccc1)C1CC1 65382498 NEZZDYZSRAZVSA-UHFFFAOYSA-N 343.386 2.351 30 50 EEEA Cn1cc([C@@H]2CCCCN2C(=O)c2cnn3ccc(C#N)cc23)cn1 1875293620 WUYVJZOPQBVBER-INIZCTEOSA-N 334.383 2.307 30 50 EEEA Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCCCC3)c(=O)s1 192457429 RIPASLQDZFICHV-UHFFFAOYSA-N 348.453 2.454 30 50 EEEA N#Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)ccn1 193736573 IWSZDRVAINWMKO-XJKSGUPXSA-N 329.306 2.180 30 50 EEEA CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 6742854 IPXDVZOTJWTQDO-UHFFFAOYSA-N 349.456 2.339 30 50 EEEA C=CCN(CCCc1cncn1C)S(=O)(=O)c1ccc(OC)cc1 864091229 QRLMADFATQJOBB-UHFFFAOYSA-N 349.456 2.238 30 50 EEEA Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2cccc(C)c2C#N)n[nH]1 252478423 AMABFRUOAXKCNO-AWEZNQCLSA-N 345.428 2.209 30 50 EEEA CCN(CC(=O)NC1(C#N)CCOCC1)Cc1ccccc1Cl 241515713 OHJMGPREUABPOO-UHFFFAOYSA-N 335.835 2.351 30 50 EEEA N#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)n3-c3ccccc3)C2)nc1 71750863 DRAAXPABYUQLBF-HNNXBMFYSA-N 346.394 2.211 30 50 EEEA C=CC[C@]1(C(=O)O)CCCN(C(=O)CCc2c(C)nn(C)c2C)C1 91547314 SQBGGPHRBPXRDS-SFHVURJKSA-N 333.432 2.239 30 50 EEEA CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 245226946 TTZLOJRHGLDNSU-JMSPULETSA-N 336.391 2.472 30 50 EEEA CCOC(=O)c1cnn([C@@H]2CCCN(c3ccc(C#N)nc3)C2)c1 195547932 QQZHKTZVWAFYTM-MRXNPFEDSA-N 325.372 2.168 30 50 EEEA CC(C)CNC(=O)COc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1772718387 CDUNRXUMAABPAV-UHFFFAOYSA-N 333.237 2.137 30 50 EEEA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/Nc1ccccc1[N+](=O)[O-] 15773577 KEMGCBREPNRODV-UHFFFAOYSA-N 327.256 2.271 30 50 EEEA C#CCCC1(CCNC(=O)c2cnn(C[C@H]3CCCCO3)c2)N=N1 2325887500 XAAANTTUJSSBGQ-OAHLLOKOSA-N 329.404 2.148 30 50 EEEA CN1CC[C@H](O)[C@@]2(CCCN(c3nc4c(cc3C#N)CCCC4)C2)C1 2356159639 KSPJJBSIIGOZAV-ICSRJNTNSA-N 340.471 2.115 30 50 EEEA CCc1onc(C)c1/C(O)=N/[C@@H]1CCCN(c2nccnc2O)C1 328650154 VIGVGYARYNHBMH-LLVKDONJSA-N 331.376 2.015 30 50 EEEA CC[C@@H]1CN(C(=O)c2ccc(C#CC(C)(C)O)o2)CCN1C(C)C 67855576 RPLMKKGXXDIYNS-OAHLLOKOSA-N 332.444 2.347 30 50 EEEA Cc1ccsc1[C@@H]1CCN(C(=O)c2ccc(C#N)nc2)C[C@H]1O 65395378 MOFSBAJOTQNIJS-HUUCEWRRSA-N 327.409 2.314 30 50 EEEA COC(=O)c1ccc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)nc1 367226668 XNLKGHYWGUOGEK-GOSISDBHSA-N 337.379 2.313 30 50 EEEA N#Cc1c(N)nc2c(c1-c1cccn1-c1ccccn1)C[C@@H](N)CC2 71751640 BLDUQCWLNGSOCM-LBPRGKRZSA-N 330.395 2.204 30 50 EEEA CC(C)c1noc([C@H](NC(=O)c2cc(C#N)c[nH]2)C2CCOCC2)n1 275778836 WKFLMIMNQDGISI-CQSZACIVSA-N 343.387 2.290 30 50 EEEA N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cc1 281706528 WBLDETHJTOBHED-NEWSRXKRSA-N 331.375 2.015 30 50 EEEA C=C(Br)CNC(=O)[C@H]1COc2ccc(OC)cc2C1 195110020 HYRZAFLUMNZPNA-LLVKDONJSA-N 326.190 2.271 30 50 EEEA Cc1n[nH]c(=S)n(/N=C/c2ccc(Br)cc2)c1=O 3268843 SYCILWCQFHDDAE-AWNIVKPZSA-N 325.191 2.254 30 50 EEEA Cn1cc(OC2CN(c3c(Br)cccc3C#N)C2)cn1 2325802659 RXSVXZBVENSCIK-UHFFFAOYSA-N 333.189 2.322 30 50 EEEA N#Cc1ccnc(N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 294853492 CMDURONIBLLNGL-HNNXBMFYSA-N 343.337 2.230 30 50 EEEA Cc1nc(C(=O)N2CCC[C@]2(CO)Cc2ccccc2)ccc1C#N 365145676 ASJVBCVNXACKHT-HXUWFJFHSA-N 335.407 2.472 30 50 EEEA CCCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 170005285 CYEIAJAVCCDSNO-UHFFFAOYSA-N 339.266 2.064 30 50 EEEA C/C(O)=N/[C@]1(c2noc(C)n2)CCN(c2cnc3ccccc3n2)C1 328610984 JWMHCCTUSUYOPF-QGZVFWFLSA-N 338.371 2.403 30 50 EEEA C[C@@H](CO)N1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 241439854 NMUJBVAZRYVNJM-LBPRGKRZSA-N 327.350 2.470 30 50 EEEA CN1C[C@@]2(CCCN(C(=O)c3cc(F)cc(C#N)c3)CC2)OC1=O 72140367 QJLNATMVMHOGSK-KRWDZBQOSA-N 331.347 2.144 30 50 EEEA CC(C)(C)OC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 198023864 QSVPHYYOUHQEBB-UHFFFAOYSA-N 334.225 2.406 30 50 EEEA COCC1(C(=O)N[C@@H]2COCC[C@H]2Oc2ccc(C#N)cc2)CCC1 222387898 LYMZDXVAVWRBRX-IAGOWNOFSA-N 344.411 2.027 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)N=N1 952882830 XTVNHFXOSWRITB-KGLIPLIRSA-N 329.404 2.112 30 50 EEEA N#Cc1cc(Cl)ccc1N1CCC([C@@H]2CC[C@H](C(N)=O)O2)CC1 952890416 SYSKSDOFKTWXAJ-JKSUJKDBSA-N 333.819 2.461 30 50 EEEA N#C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-n2cnnn2)c(F)c1 1875280750 LCPIAGUVLRXOBV-MFKMUULPSA-N 329.339 2.005 30 50 EEEA C=CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 4005946 SJTKZGOTDFJUKA-GJZGRUSLSA-N 329.356 2.418 30 50 EEEA CCn1cc([C@H]2OCCC[C@@H]2N/C(O)=N/CC2(OC)CCC2)cn1 328622166 IEXKGOPBGCAGQX-LSDHHAIUSA-N 336.436 2.196 30 50 EEEA C=CCc1cc(-c2nccn2[C@@H](C)c2nc(O)n[nH]2)cc(OC)c1O 71751467 DDGCDRDMIYCHOT-JTQLQIEISA-N 341.371 2.426 30 50 EEEA COCCn1cc(CN[C@H]2CCCN(c3ccccc3C#N)C2)cn1 371799650 RPWDBCDBNZGVAB-SFHVURJKSA-N 339.443 2.160 30 50 EEEA CC(C)Oc1ccc2ccccc2c1CNC(=O)Cn1cnc(C#N)n1 185841526 IFFQKDXKXNTUED-UHFFFAOYSA-N 349.394 2.407 30 50 EEEA Cc1nc(C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)ccc1C#N 171958503 NQQMHMSMHZDDJX-HNNXBMFYSA-N 338.415 2.454 30 50 EEEA C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 305869736 NZEDSSDZSQVECF-ZWNOBZJWSA-N 328.821 2.136 30 50 EEEA CCN1CC[C@@H](N(C)C(=O)NCCOc2ccc(C#N)cc2)[C@@H](C)C1 221941532 MZYIPFIHXAZHTL-MAUKXSAKSA-N 344.459 2.309 30 50 EEEA COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 203808 CASIIJPPNUDTTI-ZDUSSCGKSA-N 344.323 2.059 30 50 EEEA CC(=O)C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1 549846 ORZOBXWUPAGSNK-HNNXBMFYSA-N 339.307 2.479 30 50 EEEA CC(C)CCNC(=O)c1c(O)c2ccccc2n(CCC#N)c1=O 170624747 NYDVFCSTQXDIGM-UHFFFAOYSA-N 327.384 2.397 30 50 EEEA N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CS(=O)(=O)c2ccccc21 118753127 PKWRLGKCBGGRFV-CQSZACIVSA-N 329.337 2.407 30 50 EEEA CCc1cc(N2CCC[C@@H](/N=C(/O)N3CCC(F)(F)C3)C2)ncn1 329506812 WWQMBRFIFFVNBH-CYBMUJFWSA-N 339.390 2.263 30 50 EEEA Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc(C#N)nc3)CC2=O)cc1 82134405 XRKZMUSEQFZOPK-CQSZACIVSA-N 334.379 2.139 30 50 EEEA N#C[C@H]1C(=O)Nn2c(N)nc(-c3ccccc3)c2[C@H]1c1ccccc1 226075433 SJQSKMOFIMXZTC-CABCVRRESA-N 329.363 2.488 30 50 EEEA N#Cc1ccc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1Cl 301953244 JULLTCNJHOJZBU-INIZCTEOSA-N 332.835 2.130 30 50 EEEA COC(=O)[C@@H](C#N)C(=C1C(=O)CC(C)(C)CC1=O)c1ccc(O)cc1 32886 LJIDEIIKTAZZTL-ZDUSSCGKSA-N 341.363 2.417 30 50 EEEA CC1=C(C(=O)N2CCC(C#N)(c3ccccc3)CC2)[C@H](C)NC(=O)N1 67847583 LMICXPUNRVLVLQ-ZDUSSCGKSA-N 338.411 2.046 30 50 EEEA CC1(C)OB(c2cc(OC(F)(F)F)cc([N+](=O)[O-])c2N)OC1(C)C 170003379 QNYHBELDIWMVKR-UHFFFAOYSA-N 348.086 2.375 30 50 EEEA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CCC2 1428834 HCUNSFQAJUFVPS-UHFFFAOYSA-N 331.357 2.160 30 50 EEEA N#Cc1ccnc(N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 294853495 CMDURONIBLLNGL-OAHLLOKOSA-N 343.337 2.230 30 50 EEEA COCc1nc([C@H]2CN(c3nccc(C)c3C#N)C[C@@H]2C2CC2)n[nH]1 952850771 QCPUCBKBPNKWBZ-CABCVRRESA-N 338.415 2.156 30 50 EEEA CN1CCCN(C(=O)c2ccccc2N=C(O)C2CCOCC2)CC1 328586236 MYEPYIPAFSMGKY-UHFFFAOYSA-N 345.443 2.479 30 50 EEEA C=CCc1c(C)nc(N2CCN(c3ccccc3OC)CC2)[nH]c1=O 9095252 VDYIURGUFPBBGO-UHFFFAOYSA-N 340.427 2.142 30 50 EEEA Cc1cc(C)n(/N=C\c2ccc(Br)cc2)c(=O)c1C(N)=O 22588891 GFQSRCIETQFASI-LSCVHKIXSA-N 348.200 2.209 30 50 EEEA COc1nccc(N[C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c1C#N 72167104 BVOBOHKHCXJBMK-HNNXBMFYSA-N 348.406 2.142 30 50 EEEA Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)N(C)C[C@H](C)C#N)CCC2 253397662 JRTJIMNIUFLGKF-ZWNOBZJWSA-N 342.490 2.097 30 50 EEEA C=CC[C@@]1(CO)CCCN(C(=O)c2cc3c(n(C)c2=O)CCCC3)C1 91986718 MBQANZVLMGSADB-HXUWFJFHSA-N 344.455 2.055 30 50 EEEA COc1ccc(F)cc1[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1C[C@H](O)C1 244866340 VUHZOWZPOAMQLH-BNLOLNQZSA-N 343.358 2.276 30 50 EEEA C[C@H](C(=O)N=c1ccn(-c2ccc(C#N)cc2F)[nH]1)[C@H]1CCCO1 1875270756 NBFRROSYSOKKCK-XHDPSFHLSA-N 328.347 2.059 30 50 EEEA CC(=O)N1C[C@@H](Nc2nnc(C)c(C)c2C#N)CC[C@@H]1C(F)(F)F 886097349 VLVFUWKPHRQUDP-WCQYABFASA-N 341.337 2.319 30 50 EEEA C=CCN1C[C@H](N[C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)CCC1=O 1775989963 COPKIJUGSAGUMA-UONOGXRCSA-N 340.431 2.003 30 50 EEEA CCN/C(=N/Cc1cccc(C(=O)N[C@@H](C)CC)c1)N1CCOCC1 170621539 NSWDZPONDIJVBB-HNNXBMFYSA-N 346.475 2.013 30 50 EEEA C[C@H](O/N=C(/N)C1CCOCC1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 225407843 WUFOGLZTDUSSOI-PWNZVWSESA-N 325.453 2.031 30 50 EEEA COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nnnn21 13130888 MRXNACXGQHZJLD-HNNXBMFYSA-N 325.372 2.340 30 50 EEEA COc1cc(C(=O)ON=C2C[C@@H]3CC[C@H](C2)N3C)cc(OC)c1OC 27593 VRJOZKQKYDFLGF-OKILXGFUSA-N 348.399 2.482 30 50 EEEA biogenic,in-vitro Cc1ccccc1OCC(=O)ONNC(=S)Nc1ccccc1 3122014 PFSDYUWTNCNDEY-UHFFFAOYSA-N 331.397 2.323 30 50 EEEA C=CCn1c(SCC(N)=O)nnc1[C@H](C)Oc1ccc(OC)cc1 6700014 HFAWTOHEXACQHL-NSHDSACASA-N 348.428 2.190 30 50 EEEA C=CCOc1ccc(C(=O)N[C@H]2COC[C@@H]2OCC)cc1OCC 55036644 HREINCXDCBMEDM-YOEHRIQHSA-N 335.400 2.184 30 50 EEEA COc1cc([C@H](C#N)NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)cc(OC)c1OC 252508071 XBWUOYXFDMJIEP-XALPAYFRSA-N 348.399 2.207 30 50 EEEA Cn1cc(CN2CCC[C@H](Cc3nnc4ccccn34)C2)cc1C#N 365254685 IJGQGVHWSWGBHD-OAHLLOKOSA-N 334.427 2.394 30 50 EEEA Cn1cc([C@@]2(C)CN(CCCC3(C#N)CCOCC3)CCO2)cn1 368534160 KHHJKZNRPAXHFL-QGZVFWFLSA-N 332.448 2.068 30 50 EEEA C=CCOc1cccc(CN2CCn3nc(CNC(C)=O)cc3C2)c1 82121078 KORDJIJBVJPICI-UHFFFAOYSA-N 340.427 2.100 30 50 EEEA C=CCCC(=O)N(CC)C[C@H](O)COc1ccc(CCOC)cc1 293997767 TWDIDAFPYYEDSU-KRWDZBQOSA-N 335.444 2.430 30 50 EEEA N#Cc1cncc(N2CCC[C@H](c3ncc(Br)cn3)C2)n1 952994115 MGBNZSWHCCBXIO-JTQLQIEISA-N 345.204 2.285 30 50 EEEA N#Cc1ccc(OC[C@@H]2CN(NC(=O)c3ccccc3)C(=O)O2)cc1 170619031 AFWQUGSLDXMNLS-INIZCTEOSA-N 337.335 2.103 30 50 EEEA Cc1ncsc1CN(C)C[C@@H]1CCN(c2cnc(C#N)cn2)C1 190444596 CSLSHBPZJGRBTF-ZDUSSCGKSA-N 328.445 2.072 30 50 EEEA C=CCNC(=O)[C@H](C)N1CCCN(C(=O)c2ccc(C)c(C)c2)CC1 1198015785 OTOVAIVCCVKOJC-KRWDZBQOSA-N 343.471 2.142 30 50 EEEA Cc1cc(C#N)c(N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)nc1C 1857729542 OZIZLCLOIORWMJ-DODZYUBVSA-N 326.444 2.116 30 50 EEEA Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(O)=Nc2cccnc2)on1 328655822 YTPGYWGNVAHYPB-ZFWWWQNUSA-N 347.394 2.468 30 50 EEEA C=CCn1c(=O)c(C(=O)NCc2ccncc2)c(O)c2ccccc21 100512580 BMFDSHDLYWVKPT-UHFFFAOYSA-N 335.363 2.218 30 50 EEEA COc1cc([C@@H](C#N)NC(=O)[C@]2(C)CC2(F)F)cc(OC)c1OC 421504160 ZIKQZQOLQBTABI-BMIGLBTASA-N 340.326 2.439 30 50 EEEA C=CCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCNCC2)C1=O 67558921 ZCLFOLWSVSDGOP-LJQANCHMSA-N 345.418 2.235 30 50 EEEA C[C@@H](OCC1CC1)/C(O)=N/C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 328630224 JENCFWMWHLLOLH-INWMFGNUSA-N 338.427 2.104 30 50 EEEA O/C(Cn1cccn1)=N/C[C@H]1CCc2nc(C(F)(F)F)cn2C1 328642280 YJUDBTRTHWBOSM-SNVBAGLBSA-N 327.310 2.318 30 50 EEEA C=CCn1c(SCc2ccn(CC)n2)nnc1C1CCNCC1 426698272 NXTWVNZEEDEDJI-UHFFFAOYSA-N 332.477 2.440 30 50 EEEA C=CCN(Cc1ccc(C)s1)S(=O)(=O)N1CCC[C@@H]1COC 952961091 JJQZFKQXHZCVJC-CQSZACIVSA-N 344.502 2.400 30 50 EEEA CC(C)(C)/N=C(/O)N1CCC(NC(=O)CCc2ccncc2)CC1 330625738 UFKHSZAORIHWOH-UHFFFAOYSA-N 332.448 2.307 30 50 EEEA CCOc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)ccc1O 105211066 NZZIINGTBIMOCT-VAOWDYPFSA-N 340.379 2.322 30 50 EEEA O=C(O)C(=N\Nc1ccccc1)/C(=N/Nc1ccccc1)C(=O)O 100293579 JBCIWHUXUYBMAH-AXPXABNXSA-N 326.312 2.092 30 50 EEEA COC1(C(O)=Nc2nnc(C3CCOCC3)s2)CCOCC1 329307250 PMPTYCSTLWSPRA-UHFFFAOYSA-N 327.406 2.216 30 50 EEEA C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H]([C@@H](C)O)C1 252516037 PLBMBTYZDNFWGL-UEKVPHQBSA-N 342.848 2.382 30 50 EEEA CSC1CC(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)C1 1875271853 BZJNQZQHMUVLLR-UHFFFAOYSA-N 330.457 2.180 30 50 EEEA N#Cc1cccc(/C=C/C(=O)NS(=O)(=O)c2ccc(Cl)cn2)c1 112158841 WSKMKVGUOCBFLN-GQCTYLIASA-N 347.783 2.125 30 50 EEEA C[C@H]1CN(C[C@@H]2CCCN2C(=O)Cc2ccc(C#N)cc2)C[C@@H](C)O1 194874890 OOZRGKDTKFKZHL-FCEWJHQRSA-N 341.455 2.201 30 50 EEEA N#Cc1cc2c(nc1N1CCN3[C@@H](C4CC4)COC[C@H]3C1)CCCC2 1857714128 SIWNTIUSIUOTII-IEBWSBKVSA-N 338.455 2.131 30 50 EEEA O/C(=N/CCc1nnc(-c2ccccc2)o1)N[C@@H]1CCO[C@H]1C1CC1 328586239 OKKQKAXAWOFKTI-ZBFHGGJFSA-N 342.399 2.350 30 50 EEEA CN(c1ccccc1C(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O 566984 QUHOSCFMRIUZEN-UHFFFAOYSA-N 343.408 2.401 30 50 EEEA CCOc1ccc(C#N)cc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 248380199 PGQZAXMIIAZTKT-YXAMBPQSSA-N 326.352 2.418 30 50 EEEA N#Cc1cc(Cl)ccc1CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1 285598459 UMFVPQJWWQHIOM-DLBZAZTESA-N 347.846 2.314 30 50 EEEA COc1cc(C#N)ccc1CN[C@@H]1CCC[C@@H]1N1CC[C@H](OC)C1 886082484 FWKWBWNCESWDPL-KSZLIROESA-N 329.444 2.298 30 50 EEEA Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(C#N)oc2C)C3)n1 888098213 HHQFKSPISQQIEN-SJCJKPOMSA-N 326.356 2.345 30 50 EEEA Cn1ccc(N2CCC[C@@H](O/N=C3/CCOc4ccccc43)C2=O)n1 170642614 COARIBBOHREUBJ-ZHTGWBIJSA-N 340.383 2.119 30 50 EEEA C=CCOc1ccc(Cl)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 5033931 TVFFCTJADBSHGW-UHFFFAOYSA-N 334.759 2.339 30 50 EEEA C/N=C(/O)[C@@H]1CN(Cc2ccc(CN3CCCCC3)cc2)CCO1 328596906 BKVCUBRSJKVDNQ-SFHVURJKSA-N 331.460 2.460 30 50 EEEA CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C#N)n1 8671534 HKZVCWOOYZCWNP-UHFFFAOYSA-N 328.397 2.325 30 50 EEEA C=C(CNS(=O)(=O)c1cc(C(=O)O)n(CC)c1)c1ccccc1 352191770 IUDKRJXWZZSZIZ-UHFFFAOYSA-N 334.397 2.198 30 50 EEEA COc1ccc(N2CCN(C(=O)c3ccccc3C#N)[C@@H](C)C2=O)cc1 91756709 WRMWTAVVGQHIPQ-AWEZNQCLSA-N 349.390 2.444 30 50 EEEA C#CCN(C)C(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1 1154143975 PWMDBWRONPANAL-UHFFFAOYSA-N 336.317 2.238 30 50 EEEA C#C[C@@H](NC(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)C(C)C 225594701 BAEFVTGWWWSCCQ-CYBMUJFWSA-N 342.848 2.201 30 50 EEEA CC(C)(O)C#Cc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)s1 4698000 VOTRADRUCCEGQQ-OAHLLOKOSA-N 343.404 2.426 30 50 EEEA C=CCn1c(SCC(=O)O)nnc1-c1ccc(OC)c(OC)c1 407307 CVPKCIJLXPFNKY-UHFFFAOYSA-N 335.385 2.325 30 50 EEEA COc1ccc(CN2CCN(C(=O)CC(C)(C)C#N)CC2)cc1F 330973936 UVZKLEJCSAXQLO-UHFFFAOYSA-N 333.407 2.418 30 50 EEEA N#C[C@@H]1CCC[C@H]1OC(=O)[C@@H](c1ccccc1F)N1CCOCC1 253425706 VYCDARJUGCOCCI-IAOVAPTHSA-N 332.375 2.434 30 50 EEEA Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1 109116083 VXHPCCPBGUIYOM-INIZCTEOSA-N 338.411 2.491 30 50 EEEA N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCC(F)(F)C2)CC1 332534786 INBIFCFPUMCUMG-CQSZACIVSA-N 349.385 2.363 30 50 EEEA C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC 2059286 UBGJANQPUKGGJH-MRXNPFEDSA-N 346.383 2.403 30 50 EEEA Cc1cc(C2CC2)nc(N=C(O)[C@@H]2CC23CCS(=O)(=O)CC3)n1 329748931 FVAHLQLLNJKLHG-LBPRGKRZSA-N 335.429 2.465 30 50 EEEA CCOC(=O)[C@@H]1CCc2nc(N)c(C#N)c(-c3cc(CC)n[nH]3)c2C1 71758841 GMMZGWOCDOWYFL-SNVBAGLBSA-N 339.399 2.156 30 50 EEEA CC(C)(C)c1cc(-c2cnc(N3CCOCC3)nc2)c(C#N)c(N)n1 71735937 GZLWBUSTNSTPGQ-UHFFFAOYSA-N 338.415 2.127 30 50 EEEA C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C[C@H]1n1ccnc1 287842090 LXMGPAGYNWCTAO-IAQYHMDHSA-N 326.360 2.333 30 50 EEEA N#C[C@@H]1CCCN(C(=O)NCc2cnn(-c3cccc(F)c3)c2)C1 426563436 MHDLEMUIEVLJGB-ZDUSSCGKSA-N 327.363 2.457 30 50 EEEA C=C(CC)Cn1cc(-c2csc([C@H]3CCS(=O)(=O)C3)n2)nn1 887538417 HYEWCIWGAVFTCF-NSHDSACASA-N 338.458 2.270 30 50 EEEA CCn1c(NC(=O)c2ccn(CCOC)n2)nc2cc(C#N)ccc21 188090536 VWSXOAOJSJCKNF-UHFFFAOYSA-N 338.371 2.023 30 50 EEEA O=C1C=CC(=NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C=C1 4134575 OMGXNXJJONDDHN-UHFFFAOYSA-N 326.717 2.073 30 50 EEEA N#C[C@@H]1COCCN1C(=O)c1cc(Br)ccc1Cl 173125361 NQKBZNSQYJXYQB-SECBINFHSA-N 329.581 2.467 30 50 EEEA CCc1ncc(N=C(O)N2CCOC[C@@H]2c2nnc(C(C)C)o2)cn1 328627714 MZDDAJJOZQOFDA-GFCCVEGCSA-N 346.391 2.164 30 50 EEEA CN1CC[C@@H](N2CCC(/N=C(/O)C3CCC(F)(F)CC3)CC2)C1=O 329165982 HUSORAXDPNLHBE-CQSZACIVSA-N 343.418 2.464 30 50 EEEA CCCc1nc(CN2CCN(c3nccnc3C#N)C[C@H]2C)cs1 246778535 CHYOJXSSKIBZKB-CYBMUJFWSA-N 342.472 2.468 30 50 EEEA CCn1cc(CN2CCC([C@@H](C)N3CCOCC3)CC2)cc1C#N 72438221 KXPYPGHXNUZYEN-MRXNPFEDSA-N 330.476 2.312 30 50 EEEA C[C@@H](NC(=O)Cn1cnc(C#N)c1C#N)c1ccc2c(c1)CCCC2 180420182 KGKFRBUTWSOHFF-CYBMUJFWSA-N 333.395 2.383 30 50 EEEA C=CC[C@@]1(CO)CCCN(c2cc(CC)nc(N3CCOCC3)n2)C1 91486942 BHNHGOVSCIBCBQ-LJQANCHMSA-N 346.475 2.031 30 50 EEEA CCCN1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 670466657 MAQSNLAULGJCGY-ZDUSSCGKSA-N 341.864 2.364 30 50 EEEA N#Cc1cccc(S(=O)(=O)N2CC[C@]3(CCOC3)C2)c1Cl 952992212 BNUGEOPCGITKQG-AWEZNQCLSA-N 326.805 2.013 30 50 EEEA C[C@@H]1C[C@@](C)(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)CCO1 1875269844 YUHSIXXOASYPJH-KUHUBIRLSA-N 342.443 2.243 30 50 EEEA CCOc1ccc(Br)c(CN[C@H]2CCCN(O)C2=O)c1 1875303238 GISPARZTPACNAA-ZDUSSCGKSA-N 343.221 2.318 30 50 EEEA Cc1cnccc1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 185659488 ZFYJGOVKCLXMRY-IBGZPJMESA-N 334.423 2.169 30 50 EEEA C=CCOc1cccc(CNCCc2ccc(S(N)(=O)=O)cc2)c1 19871802 LQVKUKSQSKDKGC-UHFFFAOYSA-N 346.452 2.231 30 50 EEEA Cc1ccnc(O)c1/C(O)=N/C[C@@H]1CCN(C)[C@H]1c1cccnc1 328627930 NEJZSXWESCENFH-HOCLYGCPSA-N 326.400 2.488 30 50 EEEA CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccco1 19883649 PIQNLLJHGGAXIW-HNNXBMFYSA-N 344.367 2.403 30 50 EEEA COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cccc(C)c1 4099506 MQFJELARWFGEHX-KFNAQCHYSA-N 327.380 2.251 30 50 EEEA CCN(CC)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1OC 170004550 FEQVMGDXOQKERS-UHFFFAOYSA-N 333.237 2.476 30 50 EEEA C=CC[C@H]1N(C(=O)CCC(=O)N2CCC(O)CC2)CCCC1(C)C 331306683 VTGOYFZMWHJRSF-MRXNPFEDSA-N 336.476 2.343 30 50 EEEA COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)c([N+](=O)[O-])c1 216704388 DGQOYQTVWLDJKJ-UHFFFAOYSA-N 341.556 2.334 30 50 EEEA Cn1cc(C#N)cc1C(=O)N1CCC[C@@](CO)(Cc2ccccc2)C1 365688959 RFNFLSKROYURRN-HXUWFJFHSA-N 337.423 2.354 30 50 EEEA CN(CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cnn(C)c1 17071722 JAIGHTQIEQHNPA-UHFFFAOYSA-N 343.456 2.303 30 50 EEEA Cc1cc(C(F)(F)F)n(C[C@H](C)CNC(=O)c2cc(C#N)c[nH]2)n1 299786099 IUUYSDKTVUATSI-SECBINFHSA-N 339.321 2.476 30 50 EEEA C=CCOC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 20725732 FBXUFLWRPZQGOY-INIZCTEOSA-N 344.377 2.391 30 50 EEEA Cc1ccc(S(=O)(=O)O[C@H]2[C@H]3C=C[C@@H]4[C@@H](O)[C@H]5C=C[C@@H]2[C@H]5[C@H]43)cc1 257359132 YOVMTSGKEVCVEO-BKSMAAMTSA-N 344.432 2.294 30 50 EEEA Cc1cnn(C2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)c1 2325742080 PUGACJGEPFNKGM-UHFFFAOYSA-N 344.440 2.283 30 50 EEEA N#Cc1cccnc1N1CCc2nnc(CCc3ccccc3)n2CC1 67920507 CXMIKVIEOCGWDG-UHFFFAOYSA-N 344.422 2.393 30 50 EEEA CNC(=O)[C@H]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 333677249 OFRBOTMQHJIXNU-ZDUSSCGKSA-N 337.427 2.056 30 50 EEEA CN1CCN(c2ccc(C#N)cc2F)C[C@@H]1c1nc(C2CC2)no1 284421340 CYOTXFAKLXNSAI-OAHLLOKOSA-N 327.363 2.451 30 50 EEEA C#CC[C@@H](OC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccn1 155962421 GIBCABVFHVVLNW-CRAIPNDOSA-N 349.390 2.133 30 50 EEEA C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@]3(O)[C@H]1CC[C@@H]2C(=O)CO 257346370 YWRPKJIIPJSLLJ-BAIJGVNGSA-N 332.440 2.421 30 50 EEEA OCC#Cc1csc(CN2CCC(N3CCSCC3)CC2)c1 828644579 GKADFNNDIAREQF-UHFFFAOYSA-N 336.526 2.105 30 50 EEEA COc1ccccc1C/C(N)=N/OC(=O)c1cccc([N+](=O)[O-])c1 4685093 KRFCCCVNLHHWJY-UHFFFAOYSA-N 329.312 2.275 30 50 EEEA CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1[N+](=O)[O-] 237424 KMQYZWJNPAKLOK-XHDPSFHLSA-N 346.339 2.058 30 50 EEEA CC(=O)C1=C(O)C(=O)N(CCCC(=O)O)[C@H]1c1ccc(Cl)cc1 4904692 AIZBEGOBDOUOHQ-AWEZNQCLSA-N 337.759 2.489 30 50 EEEA CCOC(=O)/C(=N/O)C1=NC(C)(C)Cc2cc(OC)c(OC)cc21 100440854 RHUWZHLNFKEDCQ-XDJHFCHBSA-N 334.372 2.221 30 50 EEEA COc1nccc(N[C@@H]2CCOC[C@H]2OCc2cscn2)c1C#N 218310553 AKPIMDXOYVFNQD-HUUCEWRRSA-N 346.412 2.205 30 50 EEEA C=CCN1CCCN(C(=O)c2ccc(N(C)C(=O)C=C)cc2)CC1 1875373948 VSDQTZVEXQPUHW-UHFFFAOYSA-N 327.428 2.169 30 50 EEEA C#CCOc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1 172831596 HHSCTIRXAALZGL-UHFFFAOYSA-N 326.318 2.019 30 50 EEEA C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NC(C)C)C2 14732791 OBMMEVNSMUCCKX-AWEZNQCLSA-N 348.516 2.113 30 50 EEEA COCC1(CNc2ncc(Br)cc2C#N)CCNCC1 261750101 MUUJKFOZQWLOKF-UHFFFAOYSA-N 339.237 2.144 30 50 EEEA C#CCCC1(CCC(=O)N[C@@H]2CCCN(C3CCOCC3)C2)N=N1 2325891762 GSGMQPPWKUMYIG-OAHLLOKOSA-N 332.448 2.102 30 50 EEEA C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC 53319115 SWNYBTNLQRACNK-UHFFFAOYSA-N 333.436 2.382 30 50 EEEA C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(Br)c(F)c1 132052339 VOFRSTMBGLOJLS-MRVPVSSYSA-N 342.168 2.287 30 50 EEEA COc1nccc(N2CCN(Cc3ccc(C)cc3)C(=O)C2)c1C#N 77287784 VJUPNRKMDLKQAS-UHFFFAOYSA-N 336.395 2.119 30 50 EEEA N#CC1(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)CCOCC1 184058769 XNGRFKSUGXBWLM-UHFFFAOYSA-N 346.402 2.042 30 50 EEEA N#Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1OC(F)(F)F 408515814 VJMCCKFVKFSMMH-UHFFFAOYSA-N 341.205 2.340 30 50 EEEA COc1ccccc1C/C(N)=N/OC(=O)COc1ccc(C)cc1 4191923 OVXLFPQUWACEAQ-UHFFFAOYSA-N 328.368 2.441 30 50 EEEA CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2cc(C#N)oc2C)C1 330549012 BHEZZLRCQUTYFL-ZWNOBZJWSA-N 343.305 2.131 30 50 EEEA C=CCn1c(=O)c2c(nc3n(C4CCCCC4)c(C)cn23)n(C)c1=O 9829439 HOQDLQAJYKJBIA-UHFFFAOYSA-N 341.415 2.149 30 50 EEEA CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnn1C[C@H]1CCOC1 159499268 NZNZEUIQUXHIER-MRXNPFEDSA-N 339.399 2.455 30 50 EEEA C=CCn1cc(CNCc2cc3c(cc2OC)OCCO3)c(C)n1 55108734 VNUFOYAMIJZNPJ-UHFFFAOYSA-N 329.400 2.447 30 50 EEEA COc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1C#N 135071861 ALDNIRJKDJDKRQ-KRWDZBQOSA-N 329.444 2.111 30 50 EEEA Cc1c([C@H]2OCC[C@@H]2/C(O)=N/Cc2nc3cccnc3[nH]2)cnn1C 328715927 DOOQVPBGYKVUCU-NHYWBVRUSA-N 340.387 2.234 30 50 EEEA N#Cc1cccnc1N1CCC(NC(=O)CCc2cccnc2)CC1 219183652 RFNDGWUYYJHMKM-UHFFFAOYSA-N 335.411 2.066 30 50 EEEA CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)c1ncccc1C#N 952880850 MEYLNSWUXRAZPI-NSHDSACASA-N 336.321 2.306 30 50 EEEA C=C1CCN(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)CC1 408104688 MNVMENXEHBFCNZ-UHFFFAOYSA-N 336.457 2.346 30 50 EEEA O=C(N1CCC(C/N=C(/O)[C@@]23CCC[C@@H]2CNC3)CC1)C(F)(F)F 328588855 XRSCIQGKBFCMJB-IUODEOHRSA-N 347.381 2.134 30 50 EEEA C#CCCC1(CCNC(=O)CCCN(C)C(=O)c2ccncc2)N=N1 2325891336 AMEGVLWIFWYQST-UHFFFAOYSA-N 341.415 2.016 30 50 EEEA C#CCCC1(CCNC(=O)[C@]2(C(=O)O)C[C@H]2c2ccccc2)N=N1 2325900989 PNYDGDRLNYMSSN-KSSFIOAISA-N 325.368 2.327 30 50 EEEA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])s1 104315208 KCZFLFYOLLDLKV-KUGNCIDVSA-N 343.364 2.043 30 50 EEEA CC(C)(C)O/C(O)=N/CCC(=O)N1CC[C@H](Oc2cccnc2)C1 328594702 YBDDONHINCHESR-AWEZNQCLSA-N 335.404 2.181 30 50 EEEA OC[C@@H]1CN(C(O)=Nc2cnc3c(c2)CCCC3)CCC1(F)F 329623688 NUWOLHOQHWFCHS-LBPRGKRZSA-N 325.359 2.455 30 50 EEEA COc1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1C#N 284511437 DGYYTKHDTITYGJ-ZHALLVOQSA-N 330.428 2.319 30 50 EEEA CC(C)n1cc([C@]2(O)CCCN(Cc3cc(F)ccc3C#N)C2)nn1 284715734 UMOXSIWCXOTKHA-SFHVURJKSA-N 343.406 2.353 30 50 EEEA N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 253392741 FZZXRBYPXJCYQR-BBRMVZONSA-N 331.372 2.446 30 50 EEEA CC(C)c1nnsc1CN1CCN(c2ncccc2C#N)CC1 241081846 YQZLICZOMJMMBD-UHFFFAOYSA-N 328.445 2.250 30 50 EEEA C#CCCC1(CCC(=O)N[C@H]2COc3cc(OC)ccc3C2)N=N1 952880149 JJXFZVRLGJWTTJ-CQSZACIVSA-N 327.384 2.471 30 50 EEEA CCn1nc2c(c1C(=O)NCc1ccnc(C#N)c1)C[C@H](C)O[C@@H]2C 1875313963 AKYHESGRIQWTHH-NWDGAFQWSA-N 339.399 2.122 30 50 EEEA Cc1nc(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)ccc1C#N 282678993 WPRLXOIKESLWPP-DOTOQJQBSA-N 325.343 2.349 30 50 EEEA N#Cc1ccc([C@H](O)CN2CCN(c3cc(C4CC4)n[nH]3)CC2)cc1 189676693 YABJTOPPPBLLBE-GOSISDBHSA-N 337.427 2.014 30 50 EEEA C=CCN1CC[C@@H](Nc2ccccc2CN2CCC(CO)CC2)C1=O 241862506 SQQRYGWXSNRGHW-LJQANCHMSA-N 343.471 2.090 30 50 EEEA C=C(C)COc1c(CN2CC[C@@H](O)C[C@H]2C(=O)O)cccc1OC 248161341 LOOHIECTSUFDBQ-CABCVRRESA-N 335.400 2.060 30 50 EEEA COc1ccc(N/C(O)=N/Cc2ccco2)cc1NS(C)(=O)=O 328590176 MSTYDXXQZUMIPF-UHFFFAOYSA-N 339.373 2.186 30 50 EEEA Cc1nc([C@H](NC(=O)CSCC#N)c2ccc(Cl)cc2)no1 180620121 ZDMDMWIKFMKWHU-CYBMUJFWSA-N 336.804 2.494 30 50 EEEA C[C@H](SCC(=O)Nc1cccc(Br)c1)C(=O)NO 671997695 JKZVRVOSPATOEZ-ZETCQYMHSA-N 333.207 2.015 30 50 EEEA C#CCN(Cc1ccco1)C(=O)c1cn(Cc2ccc(F)cc2)nn1 12579120 XSNDKGRQSLJCQN-UHFFFAOYSA-N 338.342 2.334 30 50 EEEA CC1(C)OB(c2cc(CN3CCOCC3)ccc2Cl)OC1(C)C 169936753 GCHRRPPVKXGTAW-UHFFFAOYSA-N 337.656 2.471 30 50 EEEA C=CCN1C[C@H](C(=O)N(CC)CCOc2ccccc2F)CCC1=O 55387461 JCKRQTIGZMIIJZ-OAHLLOKOSA-N 348.418 2.478 30 50 EEEA COc1ccc(N/N=C2\C(=O)ON=C2c2ccc(OC)cc2)cc1 100356871 KQSDSJLMWVZWCX-MNDPQUGUSA-N 325.324 2.433 30 50 EEEA CCn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)c1ccn2ccnc2c1 328625019 KGSRMXHDMMXPGC-ZFWWWQNUSA-N 325.372 2.386 30 50 EEEA O/C(=N/C1CCN(CC2CC2)CC1)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 329247412 RUHHTLJWBMIPRI-JZFKGDSASA-N 347.503 2.448 30 50 EEEA C[C@@H](Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1)C(=O)O 357071179 JMKAGZXNFFNOOP-NSHDSACASA-N 345.380 2.017 30 50 EEEA Cc1nc(N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)c(Cl)cc1C#N 952889648 FAYTZKSUTFMWDQ-DGCLKSJQSA-N 332.795 2.042 30 50 EEEA N#Cc1c(Cl)cccc1S(=O)(=O)NC1(C(=O)O)CCCCC1 760117438 BFYGSDSKZSIZAL-UHFFFAOYSA-N 342.804 2.277 30 50 EEEA COc1ccccc1C(=O)N1CCCN(c2cccc(C#N)n2)CC1 1775981336 KRPIGGVVVUQXCM-UHFFFAOYSA-N 336.395 2.314 30 50 EEEA C=CCc1ccc(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)c(OC)c1 15659182 KDUGLTZTMQVDGV-HLLBOEOZSA-N 335.444 2.273 30 50 EEEA CN(Cc1cccc(C#N)c1)C[C@@H]1C[C@H](F)CN1c1cccnn1 328633428 LZOWBSKGUOLNGQ-IRXDYDNUSA-N 325.391 2.397 30 50 EEEA CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@H](C)C2)[C@@H]1c1cccnc1 384255 VYKBVAGHTAOYHO-HZMBPMFUSA-N 328.368 2.182 30 50 EEEA N#Cc1ccccc1CN1CCC[C@@]2(CCC(=O)N(CCCO)C2)C1 82167323 YMMDVFSZZWBZAT-HXUWFJFHSA-N 341.455 2.145 30 50 EEEA C=CCN1C[C@H](C(=O)Nc2ccccc2Cn2ccnc2C)CC1=O 952862353 OWJROIGHZWOMCD-MRXNPFEDSA-N 338.411 2.213 30 50 EEEA CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1cc(C#N)cs1 359514134 JHBCJGFPQBTJQU-LBPRGKRZSA-N 326.443 2.049 30 50 EEEA C=CCn1cc(Br)c(NC(=O)C2(C(C)C)COC2)n1 1775994627 LOVTYEDSLZGYNV-UHFFFAOYSA-N 328.210 2.443 30 50 EEEA N#Cc1ccccc1C1CCN(C(=O)[C@@H]2CCn3ncnc3C2)CC1 2325797035 VYZNFMMZICIRBQ-OAHLLOKOSA-N 335.411 2.118 30 50 EEEA C#CCCC1(CCNC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)N=N1 2325891488 KICTVOONMOENKJ-INIZCTEOSA-N 338.411 2.117 30 50 EEEA C=CCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 2986165 SSZYCCZTNUMAHO-UHFFFAOYSA-N 337.228 2.062 30 50 EEEA O=C(O)C[C@@H]1S/C(=N\C(=O)c2ccco2)N(c2ccccc2)C1=O 102944057 QZLIYIRNKHHIQU-ICDILTBESA-N 344.348 2.399 30 50 EEEA CC(C)(C/N=C(/O)N[C@@H]1CCO[C@]2(CCOC2)C1)N1CCCCC1 328586922 RJQFMYJSQXKHQE-CRAIPNDOSA-N 339.480 2.093 30 50 EEEA CN(C)Cc1cc(O[C@@H]2CCN(C[C@@H](C#N)CCC#N)C2)ccn1 886068631 DTJXBQNVGQFPJG-CRAIPNDOSA-N 327.432 2.040 30 50 EEEA CCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)c2cc(C)c(C#N)cn2)cn1 888094585 CYXQSLUYAVIVJD-DOTOQJQBSA-N 339.399 2.208 30 50 EEEA CC#CC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 832278708 JMNWPRNNGUFWIG-CQSZACIVSA-N 334.338 2.458 30 50 EEEA O/C(=N/CCn1cccn1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 329580679 WZNKITQZERHGMT-FGTMMUONSA-N 340.427 2.302 30 50 EEEA Cc1cnn([C@@H]2CCN(/C(O)=N/C[C@H]3CCCn4ccnc43)C2)c1 329619730 QXTUITZRAGPCME-HUUCEWRRSA-N 328.420 2.126 30 50 EEEA C=CCc1ccc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c(OC)c1 247910329 KDUGLTZTMQVDGV-BFYDXBDKSA-N 335.444 2.273 30 50 EEEA N#Cc1ccc(CNC(=O)CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 281342912 KAGKQELITYIBTE-OTWHNJEPSA-N 341.455 2.190 30 50 EEEA CC(C)(C(=O)N[C@@H]1CCc2nccn2C1)c1cc(F)cc(C#N)c1 375722759 LVLKOOZNENIUET-OAHLLOKOSA-N 326.375 2.303 30 50 EEEA C#CCCC1(CCC(=O)N2CCc3c(cc(C(=O)OC)n3C)C2)N=N1 2325893480 PAAYNUWVGLJING-UHFFFAOYSA-N 342.399 2.052 30 50 EEEA COCc1nn2c(N)c(C#N)cnc2c1-c1ccc(OC)c(OC)c1 9261115 JSMYJUJHEPGDEV-UHFFFAOYSA-N 339.355 2.014 30 50 EEEA CC1(C)OB(c2cc(CS(C)(=O)=O)ccc2Cl)OC1(C)C 170017335 PYSANEHFABEMIV-UHFFFAOYSA-N 330.642 2.184 30 50 EEEA Cc1nn(C)c(C)c1[C@H]1[C@H](NCc2ccc(C#N)s2)CC(=O)N1C 431683440 ANSCEHCXVQIEII-RHSMWYFYSA-N 343.456 2.032 30 50 EEEA CC(C)(C)c1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]n1 368322440 UHTDLGJOGSSYMF-CYBMUJFWSA-N 339.399 2.267 30 50 EEEA C=CCOCC(=O)N1Cc2cnn(-c3ccncc3)c2CC(C)(C)C1 952892161 KVUOVECHXAPYDS-UHFFFAOYSA-N 340.427 2.381 30 50 EEEA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)ON1C(=O)c2ccccc2C1=O 467182 NNHZUMCAGQZDME-JXMROGBWSA-N 338.275 2.362 30 50 EEEA Cc1ccc2nc(N=C3NCN(Cc4cccnc4)CN3)nc(C)c2c1 19323485 LJUVVMADWOWOII-UHFFFAOYSA-N 347.426 2.239 30 50 EEEA Cc1nn(C)c2[nH]c(=NC[C@H](c3ccsc3)N(C)C)c(C#N)cc12 2325775322 WMYHZYWIGRDWFB-OAHLLOKOSA-N 340.456 2.347 30 50 EEEA C#CCCC1(CCNC(=O)c2cnn(C[C@@H]3CCCCO3)c2)N=N1 2325887499 XAAANTTUJSSBGQ-HNNXBMFYSA-N 329.404 2.148 30 50 EEEA Cc1ccccc1OCC(=O)O/N=C(\N)c1ccc([N+](=O)[O-])cc1 8576310 RSKOXSUGVDATQN-UHFFFAOYSA-N 329.312 2.146 30 50 EEEA C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Br 281635532 XVHUACIYWNPUSU-NOZJJQNGSA-N 342.237 2.446 30 50 EEEA C#CCCC1(CCC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)N=N1 1775994898 OUOXWXPDFRPMPR-ZMSDIMECSA-N 333.432 2.121 30 50 EEEA N#Cc1cccc(C(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)c1 1775958064 ADXOYGMHOISNBV-JKSUJKDBSA-N 328.368 2.043 30 50 EEEA C#CCOc1ccccc1NC(=O)N[C@@H]1CCN(c2ccccn2)C1 188088590 KWTKVRLCABYWJA-OAHLLOKOSA-N 336.395 2.494 30 50 EEEA N#Cc1cccc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1 253406069 VNWXTVTZABFFES-UHFFFAOYSA-N 326.787 2.455 30 50 EEEA COC[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)C1CCC(C)CC1 2325771889 YTFOJHAUCIOQGK-SEEARECTSA-N 343.431 2.237 30 50 EEEA O=C(/C=C/c1ccc(I)o1)c1cccc[n+]1[O-] 6884257 LHNCUBBAJSDTRV-GQCTYLIASA-N 341.104 2.414 30 50 EEEA N#Cc1ccc(OC[C@@H](O)CN2CCOc3c(F)cccc3C2)cc1 373827864 BGNGTSNKMROLSC-INIZCTEOSA-N 342.370 2.332 30 50 EEEA Fc1cnc(N/N=C\c2ccc3c(c2)OCO3)nc1N1CCCC1 226094977 KSRZKDNPIAANAW-UWVJOHFNSA-N 329.335 2.391 30 50 EEEA C[C@@H](O)CN1CC2(CCC1=O)CCN(Cc1ccc(C#N)cc1)CC2 91951272 ZCMNZKIAGDXGHJ-MRXNPFEDSA-N 341.455 2.144 30 50 EEEA O=C1Oc2ccccc2C(=O)/C1=C\N[C@H]1CCc2ccccc2NC1=O 828320608 UTBVDRVTKTUMLA-UKYUDJEDSA-N 348.358 2.215 30 50 EEEA biogenic N#Cc1ccc(C(=O)N[C@H]2CCOC[C@@H]2Oc2cccc(F)c2)cn1 1565513775 QTRRLGXXJHMTPZ-IRXDYDNUSA-N 341.342 2.059 30 50 EEEA COC(=O)c1cccc(S(=O)(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1 170594579 YXPFYUQUHNKCJK-LRDDRELGSA-N 336.413 2.224 30 50 EEEA CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1ccc(F)cc1F 282580799 GYQWHWAPOUIROK-QMTHXVAHSA-N 331.388 2.342 30 50 EEEA C=CCc1cc(C(=O)N2C[C@@H](CO)C[C@@H](CN(C)C)C2)ccc1OC 247990242 LJBLRJPNENNDHZ-HOTGVXAUSA-N 346.471 2.056 30 50 EEEA Cc1ccc(S(=O)(=O)OC[C@H](C)[C@@H]2CS(=O)(=O)C2(C)C)cc1 1721841 JIOPURBIBVJCGQ-JSGCOSHPSA-N 346.470 2.160 30 50 EEEA O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc(F)c1)c1ccccc1 6446279 UINQEVMAAHSJDJ-MRXNPFEDSA-N 341.338 2.396 30 50 EEEA Cc1nnc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c(C#N)c1C 284515196 CKTVXLGJDJHULQ-WMLDXEAASA-N 339.447 2.194 30 50 EEEA Cc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n[nH]1 360740379 TYEYIGPAWHSTRL-UHFFFAOYSA-N 326.747 2.681 30 50 EEEA COc1nccc(N2CCN(C3CCCCC3)[C@H](CCO)C2)c1C#N 72425959 NYANRBBQSRFIMZ-MRXNPFEDSA-N 344.459 2.168 30 50 EEEA CCc1nnc(CN(C)/C(O)=N/c2nc(-c3cccc(C)c3)n[nH]2)o1 23619941 SWACCPBNYZVCBH-UHFFFAOYSA-N 341.375 2.403 30 50 EEEA O/C(=N/CC[C@@H]1COc2ccccc2O1)N1CC2(CCOCC2)C1 330212331 JYCWUFROHVVJCF-CQSZACIVSA-N 332.400 2.243 30 50 EEEA C#CCCC1(CCC(=O)N2CCN[C@H](c3ccc(O)cc3)C2)N=N1 2325892680 WREKTJVQOZPIBX-INIZCTEOSA-N 326.400 2.221 30 50 EEEA CN(C)C(=O)NC1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1 908799597 RIJMHRUVGZYITO-UHFFFAOYSA-N 334.807 2.087 30 50 EEEA C=CCn1cc(CN[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)c(C)n1 20272473 IVUJOABOTWGSMH-SFHVURJKSA-N 342.418 2.407 30 50 EEEA CCOC(=O)C1(C(O)=Nc2cnc3onc(C)c3c2)CCOCC1 328591460 CHLZQXHZGUTRNP-UHFFFAOYSA-N 333.344 2.479 30 50 EEEA Cn1cc(/C(O)=N/Cc2ccc3c(c2)OCO3)c([C@H]2CCOC2)n1 328629153 OMQZCBRTOGVIIN-LBPRGKRZSA-N 329.356 2.158 30 50 EEEA CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NC1CC1 170004429 MDTHOMHFOGUBAE-UHFFFAOYSA-N 331.221 2.277 30 50 EEEA O/C(=N/C1CC(C(F)(F)F)C1)N1CCC[C@H](Cn2ccnn2)C1 329697711 FKCHWWREHZSZPH-UNXYVOJBSA-N 331.342 2.245 30 50 EEEA N#Cc1cccc(C2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)c1 91656318 JPHDSBHFCZOKTB-KRWDZBQOSA-N 337.423 2.275 30 50 EEEA CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCC#N 171595050 MFFIHIJSFPPIGA-QGZVFWFLSA-N 326.400 2.025 30 50 EEEA C#CCOc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1OCC 2818635 ZZCQVAIVBGHEFW-UHFFFAOYSA-N 330.336 2.317 30 50 EEEA C[C@H](C(=O)c1ccc(Br)cc1)[n+]1cccc(C(N)=O)c1 3131056 DKNFWYVTQRLPPO-SNVBAGLBSA-O 334.193 2.279 30 50 EEEA C=CCNS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 4838961 BIXYHLZRRJKGMU-UHFFFAOYSA-N 346.408 2.168 30 50 EEEA CC1(C)OB(c2ccc(OC3CCOCC3)c(C#N)c2)OC1(C)C 170027091 KDNMWKAKGCTBCA-UHFFFAOYSA-N 329.205 2.415 30 50 EEEA C[C@@H]1CN(C[C@H](C#N)CCC#N)CCN1C[C@@H](O)c1ccccc1 252474483 GGJVYLMRTBWNMT-ZIFCJYIRSA-N 326.444 2.170 30 50 EEEA N#Cc1ccccc1/C=C/C(=O)N1CCc2ccccc2[C@H]1C(N)=O 377580992 JQNFZRKKILGPQV-YXBWYFRISA-N 331.375 2.183 30 50 EEEA C#CCCC1(CCC(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)N=N1 952879689 GKBKJZKTBVUCOZ-HNNXBMFYSA-N 343.431 2.293 30 50 EEEA N#CCCNCc1c(I)cnc(Cl)c1F 1875279125 NNPVQMDSQGIJEJ-UHFFFAOYSA-N 339.539 2.482 30 50 EEEA C=CCN1C[C@@H](C(=O)Nc2cccc(CN3CCCC3)c2)CC1=O 952961084 IGKSDFHQMGPIHL-INIZCTEOSA-N 327.428 2.255 30 50 EEEA C=CCNC(=O)c1ccc(N2CCO[C@H](Cc3ccccc3)C2)nc1 271830524 DVQWXSFKGSGMBE-GOSISDBHSA-N 337.423 2.445 30 50 EEEA C[C@@H](Oc1cccc(C#N)c1)C(=O)NCc1ccnc(-n2cccn2)c1 170593580 CDABNRXMTIJFNN-CQSZACIVSA-N 347.378 2.223 30 50 EEEA C=CCNCC[C@@H]1CCC(=O)N1CC1(N2CCOCC2)CCCCC1 14881825 BFBONMZXPHDZRU-SFHVURJKSA-N 349.519 2.178 30 50 EEEA N#Cc1ccc([C@@H](NCc2ccc(N3CCCC3=O)cc2)C(N)=O)cc1 115595869 HPYSTCUOBDXEIL-LJQANCHMSA-N 348.406 2.001 30 50 EEEA COCc1cccc(/C(O)=N/C2CC(N(CC(=O)O)CC3CC3)C2)c1 328624795 COUYWIDVWCAPKY-UHFFFAOYSA-N 346.427 2.465 30 50 EEEA CO[C@@H]1C[C@H](c2nc(C)no2)N(C(O)=Nc2cnn(C(C)C)c2)C1 328625647 KWTLMQITSTWTGU-CHWSQXEVSA-N 334.380 2.163 30 50 EEEA Cc1nc(O)c(C#N)cc1C(=O)N1CCO[C@H](Cc2ccccc2)C1 71750459 TXDDAKQVUXYOCA-MRXNPFEDSA-N 337.379 2.051 30 50 EEEA COc1ccc(CN[C@H]2CCC[C@H]2Oc2cnn(C)c2)cc1C#N 888098187 BCDCCSYRRTWHLL-FUHWJXTLSA-N 326.400 2.390 30 50 EEEA C=CCOc1c(Br)cc(C=Nn2cnnc2)cc1OC 14137736 BZKSQARJWZGPJX-UHFFFAOYSA-N 337.177 2.496 30 50 EEEA C[C@H](/N=C(/O)N1CC[C@H](C2CCOCC2)C1)c1nnc2ccccn12 328823277 IIBZJRNPLLUCEX-ZFWWWQNUSA-N 343.431 2.453 30 50 EEEA N#Cc1cccnc1N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1cscn1 247649542 MFVUGKUPKLBRIW-HIFRSBDPSA-N 339.424 2.037 30 50 EEEA N#Cc1ccccc1N1CCC[C@H](NC(=O)c2cccc(CO)c2)C1 368263895 OJHDZFNKYBERQW-SFHVURJKSA-N 335.407 2.449 30 50 EEEA CCc1nc(C2(/N=C(/O)c3cnn4ncccc34)CCCC2)no1 329836380 VCVOXZWZBJVMLA-UHFFFAOYSA-N 326.360 2.449 30 50 EEEA CCn1nccc1CCN1CCN(c2cccc(F)c2C#N)CC1 276265949 BWEUFHFSAKYCIV-UHFFFAOYSA-N 327.407 2.278 30 50 EEEA C[C@](C#N)(COc1ccc(F)c(F)c1)NC(=O)CCn1cccn1 170684298 VDHZSKFIWBSJIY-INIZCTEOSA-N 334.326 2.029 30 50 EEEA N#CCCN(CC(F)(F)F)C(=O)Cn1ccc2ccccc2c1=O 280560476 UWRDMTCDGQWILW-UHFFFAOYSA-N 337.301 2.306 30 50 EEEA C=C(C)Cn1cnc2c(=O)[nH]c(Nc3ccc(Cl)cc3)nc(=O)c21 19111859 WCXZGMVLQPYGRW-UHFFFAOYSA-N 343.774 2.453 30 50 EEEA Cc1cc(C)c(C#N)c(N2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n1 284495513 KAODVCYRLWFTFT-GOSISDBHSA-N 340.431 2.231 30 50 EEEA C=CCn1c(-c2cccs2)cn2cc(C(=O)N(C)C)nc2c1=O 72448034 IZDAYDBIIONGIJ-UHFFFAOYSA-N 328.397 2.112 30 50 EEEA COc1ccc(C(=O)N2CCSC[C@H]2C#N)cc1-c1ccn(C)n1 371542682 LTXPOZASKRXWIN-CYBMUJFWSA-N 342.424 2.177 30 50 EEEA CC1(C)OB(c2cnn(CCOCc3ccccc3)c2)OC1(C)C 219216157 MEIPQJAGNAPVLS-UHFFFAOYSA-N 328.221 2.399 30 50 EEEA Cc1nsc(NC[C@@H](O)CN2CCc3ccccc3C2)c1C#N 292867760 SQNDXBSVRIXVHR-OAHLLOKOSA-N 328.441 2.154 30 50 EEEA C=CC[C@@]1(CO)CCCN(S(=O)(=O)c2ccccc2OC)C1 91365234 NTQOVTALYBSPQL-MRXNPFEDSA-N 325.430 2.035 30 50 EEEA CC(C)(C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 169835838 NUVAQUSOEGIPTR-UHFFFAOYSA-N 339.266 2.063 30 50 EEEA in-vitro O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)[C@H]1CCC2(CC2)C1 2325810131 ZOIQMESQCYNNHO-AWEZNQCLSA-N 326.348 2.459 30 50 EEEA