smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCS(=O)(=O)NCCCC#N 54138478 YKQTXODLJDMYNR-UHFFFAOYSA-N 190.268 0.620 30 20 ACED O=C(NO)[C@H]1CCSC1 69983432 VNLHIGUANIJJAO-BYPYZUCNSA-N 147.199 0.245 30 20 ACED C[C@H](CC#N)NC[C@@H]1CCC(=O)N1 70621893 DDVGUOLUFRSCNW-SFYZADRCSA-N 181.239 0.157 30 20 ACED C[C@@H]1CCC[C@@H]1NCC(=O)NCC#N 70831013 FBEOGERIIOGYFK-BDAKNGLRSA-N 195.266 0.404 30 20 ACED C=C(C)CN1C[C@H]2CNC[C@@H]2C1 88287893 NNYPQDNCSYCQNC-NXEZZACHSA-N 166.268 0.714 30 20 ACED C=C(C)CNC(=O)CN1CCCC1=O 160672382 UGCSKXIEIOQUQK-UHFFFAOYSA-N 196.250 0.301 30 20 ACED C=C(CO)C(=O)NC1CCCCC1 238680679 MMUOKSKBEUPGDM-UHFFFAOYSA-N 183.251 0.984 30 20 ACED C[C@H](C#N)CNC(=O)[C@H]1CCO[C@H]1C 252659498 BJMJYJQUKPAYRE-VGMNWLOBSA-N 196.250 0.687 30 20 ACED N#CCNC(=O)CCc1cccnc1 259260576 BBURMVKRGGIHOD-UHFFFAOYSA-N 189.218 0.654 30 20 ACED C[C@H]1C[C@H]1C(=O)CC=O 306251942 RNPXBZRFCRUJNL-NTSWFWBYSA-N 126.155 0.801 30 20 ACED Cn1nnnc1NCC1(CC#N)CC1 306256368 XRCSSPVKLCBLNP-UHFFFAOYSA-N 192.226 0.316 30 20 ACED CN(C)/C(N)=N/C[C@H]1CCCO1 306633791 SOEKISGXMWVHJX-SSDOTTSWSA-N 171.244 0.042 30 20 ACED N#CCN1CCC(F)(F)[C@@H](CO)C1 306879381 DYHQIPQSQFJJNY-SSDOTTSWSA-N 190.193 0.459 30 20 ACED N#Cc1cc(C(=O)NC2CC2)c[nH]1 307579545 PTIVKAYKNURVSQ-UHFFFAOYSA-N 175.191 0.779 30 20 ACED C=C(CO)C(=O)NCC(C)C 307668275 JLJQCDLVZUXMSY-UHFFFAOYSA-N 157.213 0.307 30 20 ACED C=C[C@@H](C)NC(=O)[C@@H](N)CC1CC1 308181982 HTNAWRYALMONMA-APPZFPTMSA-N 182.267 0.805 30 20 ACED CC[C@@H](C#N)NC(=O)[C@H](O)C(C)C 308247824 YGKPULDSYOQTLG-JGVFFNPUSA-N 184.239 0.422 30 20 ACED C=C[C@H](COC)NC(=O)NC1CC1 308261399 MRMZVIODQIAQGQ-SSDOTTSWSA-N 184.239 0.649 30 20 ACED Cc1ncsc1C=NNCCO 378860206 OKSXPYSFVGKNDD-UHFFFAOYSA-N 185.252 0.367 30 20 ACED C#CCN(CC)C(=O)[C@H](C)N(C)C 379400652 JCLPVGBRGLJDFF-VIFPVBQESA-N 182.267 0.418 30 20 ACED C#CCN(C)C(=O)CC(=O)OCC 379407507 YVCXNBCQDCPILN-UHFFFAOYSA-N 183.207 0.031 30 20 ACED CON=C(C)c1csnn1 382148427 ORWGEGUAWRVAJO-UHFFFAOYSA-N 157.198 0.909 30 20 ACED C#C[C@](C)(CC)NCCC(=O)NCC 384194351 XGBPKNZPLJOALD-LLVKDONJSA-N 196.294 0.904 30 20 ACED C#CCCOC(=O)c1ncccn1 388229502 LRZLMRNKUSMSFD-UHFFFAOYSA-N 176.175 0.657 30 20 ACED C=CCCCNC(=O)C=NOC 388486633 CQVLKTSVLNKZGK-UHFFFAOYSA-N 170.212 0.701 30 20 ACED CC[C@H](O)CNN=Cc1cc[nH]n1 388629480 IFTZOLCIENKBQX-QMMMGPOBSA-N 182.227 0.104 30 20 ACED N#Cc1cncc(N2CCCCN2)n1 401600171 DIOODZVDXDNQED-UHFFFAOYSA-N 189.222 0.453 30 20 ACED C[C@H](N)C(=O)N1CCC(C#N)CC1 409428877 PKBOOIHWENFCBQ-ZETCQYMHSA-N 181.239 0.096 30 20 ACED C=C[C@](C)(O)C(=O)NCCC#CC 613320379 JUGOQCSYETZFEN-JTQLQIEISA-N 181.235 0.453 30 20 ACED Cc1ccc(NC(=O)CC#N)c(O)n1 614042982 DTRASXXJASHSRY-UHFFFAOYSA-N 191.190 0.948 30 20 ACED CN1CC[C@H](N2CC(C)(C#N)C2)C1=O 619569470 KXVFBTPHXVRXMH-QMMMGPOBSA-N 193.250 0.063 30 20 ACED C=C[C@@H](C)NC(=O)NC[C@H](C)OC 660882035 SUDYRNRKQYGYSH-SFYZADRCSA-N 186.255 0.895 30 20 ACED C=C[C@H](O)C(=O)N1C[C@H](C)C[C@@H]1C 669065799 OGBBLSDEOKEGBQ-VGMNWLOBSA-N 183.251 0.790 30 20 ACED C=C[C@H](C)NC(=O)C(=O)NCC1CC1 682683117 VNIWABCLWDUUPW-ZETCQYMHSA-N 196.250 0.203 30 20 ACED C#CCNC(=O)COCC1CCCC1 686905971 MGRVHGCCEGSVKB-UHFFFAOYSA-N 195.262 0.943 30 20 ACED C=C[C@H](C(=O)O)N1[C@H]2CC[C@H]1COC2 695057253 RFBRVXMOQJLIIF-XHNCKOQMSA-N 197.234 0.489 30 20 ACED N#CCN1C[C@H]2CC[C@@H](O)[C@H]2C1 712280046 ONMOAISZBOUGMV-HRDYMLBCSA-N 166.224 0.213 30 20 ACED C#CC(=O)N[C@@H](C)C(=O)OCC(C)C 765236179 JKOHTJXXPVHKMS-QMMMGPOBSA-N 197.234 0.324 30 20 ACED C#CCOCCNC(=O)N[C@@H](C)CC 783735775 NGEDLOXITKLLRD-VIFPVBQESA-N 198.266 0.734 30 20 ACED C=CCNC(=O)[C@@](C)(C#N)CC(=O)O 819720065 GDPSKJGOASDYGM-SECBINFHSA-N 196.206 0.293 30 20 ACED C#C[C@@H](CC)NC(=O)N(CC)CCO 821566925 ABJJXKFXSJWRSK-VIFPVBQESA-N 198.266 0.422 30 20 ACED C=CCCCCCCNC(=O)C(N)=O 822918125 ICPNASVXTSFCPY-UHFFFAOYSA-N 198.266 0.724 30 20 ACED C#C[C@H](C)OC(=O)CCNC(=O)O 823440977 OLNWXOGUHANFGC-LURJTMIESA-N 185.179 0.209 30 20 ACED C=C(C)Cn1ccnc1-c1nn[nH]n1 823878231 TWAOTRQQCBLNPU-UHFFFAOYSA-N 190.210 0.639 30 20 ACED C#C[C@H](C)NC(=O)c1conc1CC 832431686 RZLCCSBRMFRXQZ-ZETCQYMHSA-N 192.218 0.989 30 20 ACED C=CCONC(=O)[C@@H]1C[C@@H]1C 837043566 MWCKKIMELGNOEL-NKWVEPMBSA-N 155.197 0.876 30 20 ACED C=CCONC(=O)[C@@]1(C)CCOC1 837047515 BDTVXMVVTQFDEX-VIFPVBQESA-N 185.223 0.647 30 20 ACED CON=CC(=O)NCC(C)(C)CC#N 837893514 SEDLNVBNCNNKIO-UHFFFAOYSA-N 197.238 0.675 30 20 ACED C#CCCCNCc1cnn(CC)n1 838973471 ZUCLYOSTQWSHNM-UHFFFAOYSA-N 192.266 0.801 30 20 ACED C#CCON=C(C)c1ccn(C)n1 841639166 MAEQXPPXPTYOCY-UHFFFAOYSA-N 177.207 0.794 30 20 ACED CC[C@H](C#N)C(=O)NC1=NCCS1 845108814 LLCKBWTYOWBYQI-ZCFIWIBFSA-N 197.263 0.755 30 20 ACED C/N=C(/NC)NCc1cncc(C)c1 849001816 YFKMYKNREVIKKI-UHFFFAOYSA-N 192.266 0.685 30 20 ACED CC(C)CNC(=N)NC[C@@H](C)C#N 849003990 RYWHHNABHSBZFQ-QMMMGPOBSA-N 182.271 0.916 30 20 ACED C=C[C@@H](O)C(=O)N(OCC)C(C)C 855008507 NOUQXCQJBPLWSA-MRVPVSSYSA-N 187.239 0.722 30 20 ACED C#CCCOC(=O)N[C@H](C)CCCO 859060236 PEHKYZJOJYYEDQ-SECBINFHSA-N 199.250 0.897 30 20 ACED CCC(C#N)(CC)C(=O)OCCO 860196088 MIPBJLALRMUMIC-UHFFFAOYSA-N 185.223 0.852 30 20 ACED C#CCCCC(=O)N[C@H]1C[C@H](CO)C1 886888571 JUXQZQXXRCRMHZ-MGCOHNPYSA-N 195.262 0.677 30 20 ACED C=C1CN(C(=O)Cn2cc(C)cn2)C1 898695989 OURVCWJUTYTXMC-UHFFFAOYSA-N 191.234 0.590 30 20 ACED C=CCCN[C@H]1CCN(C(C)=O)C1 1169504495 ORCJQPJKGHAVMB-JTQLQIEISA-N 182.267 0.773 30 20 ACED C#C[C@@H](C)NC(=O)NC[C@@H]1CCOC1 1325819847 HQJPMMZSRAWZGD-BDAKNGLRSA-N 196.250 0.344 30 20 ACED C=C[C@H](COC)NCc1ccon1 1330610042 PSXLIEHTOIUMMZ-MRVPVSSYSA-N 182.223 0.965 30 20 ACED C=C(CO)C(=O)NCc1ccns1 1332195184 FFOOGRNXMATSAS-UHFFFAOYSA-N 198.247 0.308 30 20 ACED C=CCNC(=O)c1conc1COC 1343670432 JNRUJTQTGGZZIB-UHFFFAOYSA-N 196.206 0.737 30 20 ACED N#Cc1ccc(COC(=O)CO)s1 1345395318 KUOMJVSCQHSPFI-UHFFFAOYSA-N 197.215 0.655 30 20 ACED C[C@@H](CC#N)NC[C@H](O)CC#N 1351482431 MUCBCROKZQFJSU-JGVFFNPUSA-N 167.212 0.153 30 20 ACED C=CC[C@H]1CCN1CC(=O)O 1588773281 ZMTDCBWRCRDHPU-ZETCQYMHSA-N 155.197 0.721 30 20 ACED COC(=O)CCN[C@@H](C)CC#N 37753115 TYMHTGGDXRMMLW-ZETCQYMHSA-N 170.212 0.441 30 20 ACED CC[C@@H](C#N)C(=O)NC[C@H]1CCCO1 44811879 BJSYFDYLFCTQLE-DTWKUNHWSA-N 196.250 0.831 30 20 ACED C=C(C)[C@H](O)C(=O)OCC 86021884 ACQFOMVLRAEQCK-LURJTMIESA-N 144.170 0.487 30 20 ACED C#CCN(C)C(=O)C1CCC1 130664463 VCODRDRJDQRZKZ-UHFFFAOYSA-N 151.209 0.878 30 20 ACED N#Cc1ccc([S@@](=O)O)cn1 204347199 CWARIQYQXOXLCD-UHFFFAOYSA-N 168.177 0.534 30 20 ACED C#CCCCN(C)C[C@@H](C)C(=O)NC 231637672 PPRWVUXDDOXWPP-SNVBAGLBSA-N 196.294 0.714 30 20 ACED C[C@H]1CCN(CC#N)[C@H]1CO 299913741 RCKMGILWNPHKRL-YUMQZZPRSA-N 154.213 0.213 30 20 ACED C#CCN(CC#N)C(=O)CCOC 300844063 KGLFRFXGWWCODB-UHFFFAOYSA-N 180.207 0.008 30 20 ACED CC/C(N)=N/OCCC1OCCO1 306152025 BUIPNLULEJSADW-UHFFFAOYSA-N 188.227 0.448 30 20 ACED C#C[C@H](CCC)NC1=N[C@H](C)CN1 306367784 JMJIFIFNSKVONB-RKDXNWHRSA-N 179.267 0.726 30 20 ACED C#CC(=O)N[C@H]1CCSC1 306498028 SLNXLLVUWSDXIN-LURJTMIESA-N 155.222 0.241 30 20 ACED Cc1nc(C#N)c(C#N)n1CC#N 306881254 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ACED C=C(Cl)CNC(=O)[C@H](C)N(C)C 388388804 AGUVGAVSTSIOOL-ZETCQYMHSA-N 190.674 0.805 30 20 ACED C[C@H]1C[C@H]1C=NNC1=NC[C@@H](C)N1 388637005 NBLAUJBNLNBQII-RNJXMRFFSA-N 180.255 0.566 30 20 ACED C=CCNC(=O)CCc1nc[nH]n1 388738044 XEKLKAKBGBKOIN-UHFFFAOYSA-N 180.211 0.040 30 20 ACED C=CCNC(=O)NCCC1(O)CCC1 397617716 FXJMVZPMIZBZRZ-UHFFFAOYSA-N 198.266 0.777 30 20 ACED CCN(CC#N)CC[S@](C)=O 400567708 OMZJSLQXYZCDEM-NSHDSACASA-N 174.269 0.210 30 20 ACED C[C@@H]1COC[C@H]1NCCC#N 575483290 UZOGHGALBRZTKW-HTQZYQBOSA-N 154.213 0.525 30 20 ACED C[C@H](O)C#Cc1cccc(C#N)n1 585144677 XXGFHYHXRFKGKS-QMMMGPOBSA-N 172.187 0.686 30 20 ACED CC[C@@H](CCO)NC(=O)CCCC#N 589707979 JNWRPOBENALJEH-VIFPVBQESA-N 198.266 0.957 30 20 ACED C[C@@H]1C[C@@H](NC(=O)CCCC#N)CO1 592725467 PDGNXYSWEAMWJN-RKDXNWHRSA-N 196.250 0.974 30 20 ACED C[C@@H](CCO)NC(=O)NCCCC#N 612373470 KNMPSOCQARCRJW-QMMMGPOBSA-N 199.254 0.360 30 20 ACED C=C[C@H](CO)NC(=O)[C@H]1CCO[C@H]1C 620590908 LAVNMRLOVXRNMT-YIZRAAEISA-N 199.250 0.075 30 20 ACED C=CCN(CC=C)C(=O)[C@H]1C[C@@H](O)C1 635065714 NDTFMHQTICHNHO-AOOOYVTPSA-N 195.262 0.958 30 20 ACED C=CCOCCNC(=O)[C@H]1C[C@@H](O)C1 635783401 FPJGDPGPSZAXCX-DTORHVGOSA-N 199.250 0.076 30 20 ACED CC#CCN(CC(F)F)C[C@H](C)O 650181795 MIFHVVBFMUOZNG-QMMMGPOBSA-N 191.221 0.958 30 20 ACED CC#CCNC(=O)Cc1cncn1C 673041974 CKYZXCLETYZXCI-UHFFFAOYSA-N 191.234 0.102 30 20 ACED COCC#CCN(C)CC(C)(C)OC 677820631 RHQPPCDDQMMNLG-UHFFFAOYSA-N 199.294 0.993 30 20 ACED CC#CCN(CCCCC)CC(N)=O 679538276 LKTOLNZSZJQNAU-UHFFFAOYSA-N 196.294 0.987 30 20 ACED CCC#C[C@@H](C)N1C[C@H](O)C[C@H]1CO 681167419 YAYCRBNAXSEUJL-OUAUKWLOSA-N 197.278 0.216 30 20 ACED C#C[C@@H](C)NC(=O)[C@H](CC)NC(C)=O 707977407 QMHLUXIOUQGQIY-APPZFPTMSA-N 196.250 0.039 30 20 ACED C#C[C@H](C)NC(=O)Cc1ccn(C)n1 710111521 URRSBKBVXCPHMH-QMMMGPOBSA-N 191.234 0.101 30 20 ACED C#CCNC(=O)CC(C)(C)CN 721261476 MMYRRYNGOKYVFP-UHFFFAOYSA-N 168.240 0.111 30 20 ACED C=CCCN(C)CCN1CCOC1=O 766121208 ONLXRWXPKLRJBD-UHFFFAOYSA-N 198.266 0.947 30 20 ACED C[C@@H]1CC(=NC(=O)C2=COCC2)NO1 777434844 AIJORCFADGRNQR-ZCFIWIBFSA-N 196.206 0.529 30 20 ACED Cc1nonc1C(=O)NCCCC#N 784133897 FFCPZLZAPAYRHF-UHFFFAOYSA-N 194.194 0.412 30 20 ACED C#CCOCCNC(=O)C[C@H](C)OC 784595541 PCLGRDONJGIWJH-VIFPVBQESA-N 199.250 0.177 30 20 ACED C#CCCc1noc(CC(C)(C)O)n1 809398079 PCPIVGZOTGRSFK-UHFFFAOYSA-N 194.234 0.949 30 20 ACED C#C[C@@H](C)N(C)c1nnc(CC)n1C 809807461 OTIOQZISEWUJSK-MRVPVSSYSA-N 192.266 0.835 30 20 ACED C[C@@H](O)CNN=C1CCn2cccc21 814959691 KTHLQQGXDOLMJX-MRVPVSSYSA-N 193.250 0.566 30 20 ACED CN(CCC(=O)O)C(=O)C(C)(C)C#N 818413292 KSAANUZLVTZPSD-UHFFFAOYSA-N 198.222 0.469 30 20 ACED C=CC(C)(C)C(=O)NOCCOC 826665624 XBYAXQUMEPRBPW-UHFFFAOYSA-N 187.239 0.893 30 20 ACED C=CCN1CC[C@@H](OC(=O)N(C)C)C1 830486799 IUCXTVJDVJFESD-SECBINFHSA-N 198.266 0.945 30 20 ACED C#CCNN=C1C[C@H](C)n2ccnc21 835008368 CZLCVOHEHDAABM-QMMMGPOBSA-N 188.234 0.775 30 20 ACED C#CCO[C@@H](C)C(=O)OC[C@H](C)C#N 835239181 VKXSASXRNQEXDW-BDAKNGLRSA-N 195.218 0.728 30 20 ACED C=CCONC(=O)Cc1ccn(C)n1 843900643 CGJQFAXZMSYQQC-UHFFFAOYSA-N 195.222 0.196 30 20 ACED C=C[C@@H](C)ONC(=O)CC1(O)CCC1 846554191 INDHBARTVYCERX-MRVPVSSYSA-N 199.250 0.914 30 20 ACED C/N=C(/NC[C@H](C)COC)NC1CC1 848997979 CEUULZIGIPAYKI-QMMMGPOBSA-N 199.298 0.596 30 20 ACED C=CCNC(=N)NCCC(C)(C)CO 849035521 VJJLDSOBEVZLTG-UHFFFAOYSA-N 199.298 0.695 30 20 ACED C#CCCCNC(=O)c1nc(C)no1 865946370 GGMJSEVQOVMCLA-UHFFFAOYSA-N 193.206 0.521 30 20 ACED C#CCNC(=O)N(CC)[C@@H]1CCNC1 887278538 GGXCFRIQDLMTAB-SECBINFHSA-N 195.266 0.013 30 20 ACED C=CCN(C)C(=O)NC[C@H]1C[C@@H](N)C1 892555668 PFFOVCAAVDZLDT-DTORHVGOSA-N 197.282 0.551 30 20 ACED CCCCN(O)C(=O)c1[nH]nnc1C 904213489 QZJJVYQMYKIQIT-UHFFFAOYSA-N 198.226 0.745 30 20 ACED N#CCC1(CN2CC[C@H]2CO)CC1 934010754 GKCGZZUIDUAXRD-VIFPVBQESA-N 180.251 0.747 30 20 ACED C#CCN(C)C(=O)[C@](C)(O)CC 935608063 MDVWYIZTVQRRSN-SECBINFHSA-N 169.224 0.239 30 20 ACED O=c1ccccn1N=Cc1ncc[nH]1 1254223857 WCLUFIWLRFMUSU-UHFFFAOYSA-N 188.190 0.454 30 20 ACED 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ACED CN(C[C@@H](O)C1CC1)CC1(C#N)CC1 611430168 LLOLLNQNADPSDS-SNVBAGLBSA-N 194.278 0.993 30 20 ACED C=C[C@H](CO)NCc1ccncc1F 657791366 WNOOWPXISVWLPW-SECBINFHSA-N 196.225 0.857 30 20 ACED C=CCN(C)C(=O)N[C@H]1CCNC1 659566615 BMLUTQKHKMNOQV-QMMMGPOBSA-N 183.255 0.176 30 20 ACED C=CCN1CC[C@@H](OC)C[C@H]1C(=O)O 659794673 XTKOZACDCLASIE-BDAKNGLRSA-N 199.250 0.736 30 20 ACED COCC#CCN1CC[C@H](COC)C1 677818329 ZMQBDJUSBCKKNC-NSHDSACASA-N 197.278 0.605 30 20 ACED C[C@@H](CC#N)N(C)CCC1OCCO1 686603881 HYRVEAIKXLAOEC-VIFPVBQESA-N 198.266 0.983 30 20 ACED CON(C)C(=O)[C@H](N)CCCC#N 691541668 YVNVSZIYHLBWJA-SSDOTTSWSA-N 185.227 0.027 30 20 ACED C#CC(=O)N1CC[C@H]2C[C@@H]2C1 699216926 OFPAVJJXCDTMJR-JGVFFNPUSA-N 149.193 0.488 30 20 ACED CN(C)[C@@H]1CCCC(=NNC(=N)N)C1 715199488 LAVRLMUEVLDREX-MRVPVSSYSA-N 197.286 0.330 30 20 ACED C#CCNC(=O)N1CCCO[C@H](C)C1 727597377 BGWHZPBFEJCMNF-SECBINFHSA-N 196.250 0.440 30 20 ACED C#CCCCC(=O)O[C@H](C)C(=O)OC 759174042 PGKNWNMQPJVTCP-MRVPVSSYSA-N 198.218 0.895 30 20 ACED C[C@H](O)COC(=O)c1c[nH]c(C#N)c1 792235058 MSRVOKOFEBRTMS-LURJTMIESA-N 194.190 0.424 30 20 ACED CC#CCOC(=O)C(C)(C)NC(=O)O 823522183 VMPMDUOHOHUHRM-UHFFFAOYSA-N 199.206 0.599 30 20 ACED C#CCNN=C(C)[C@H]1CCCO1 835008755 NWVXIEVXKXPMGM-SECBINFHSA-N 166.224 0.764 30 20 ACED C=CCNC(=N)NCc1nccs1 848994589 HTNFSJRVPIBDMO-UHFFFAOYSA-N 196.279 0.943 30 20 ACED C#CCOCCN(C)[C@H](CC)CO 852097128 LURKCODRUCKKIY-SNVBAGLBSA-N 185.267 0.339 30 20 ACED C#C[C@H](C)NC(=O)[C@@H](OCC)C1CC1 860945193 DXCHCSBEKACTCT-WPRPVWTQSA-N 195.262 0.939 30 20 ACED C[C@H]1COCC1=NN[C@@H]1CCOC1 884457513 DWKWEMDAUVSXBK-JGVFFNPUSA-N 184.239 0.387 30 20 ACED C#CC1(O)CN(C(=O)CCC=C)C1 890521713 QEUHRLXXKQDZDZ-UHFFFAOYSA-N 179.219 0.159 30 20 ACED C#CC(=O)NCCNC(C)(C)C 895271923 OJWUSJKOZHPINL-UHFFFAOYSA-N 168.240 0.124 30 20 ACED C=C[C@H](CC)CC(=O)NCC(=O)O 907543629 LRAMQNASMXMIEX-SSDOTTSWSA-N 185.223 0.790 30 20 ACED C#CCN(CC(=O)NCC=C)C(C)C 932390731 BODGTKAJZROIQH-UHFFFAOYSA-N 194.278 0.632 30 20 ACED CCC[C@H](O)C(=O)NC[C@H](C)C#N 932473087 UQWOXWSPIPTVMH-SFYZADRCSA-N 184.239 0.423 30 20 ACED C=CCN1CC[C@H](NC(=O)C2CC2)C1 1009825249 QECARDWINJWVGV-JTQLQIEISA-N 194.278 0.773 30 20 ACED C#CC(=O)N[C@H](CC=C)C(=O)OCC 1119959505 MPFWLQLSVHWJOW-MRVPVSSYSA-N 195.218 0.244 30 20 ACED CCC[C@H](C)C(=O)NCCNCC#N 1124941438 JGNFXFDZSYSLRK-VIFPVBQESA-N 197.282 0.652 30 20 ACED CC[C@H](NC(=O)CC#N)[C@H](O)C(C)C 1161910538 MUQFJQZOSSTCCV-WCBMZHEXSA-N 198.266 0.812 30 20 ACED COCC#CC(=O)N[C@@H](C)CC#N 1261675603 HWVNDRZWNKBTGS-QMMMGPOBSA-N 180.207 0.055 30 20 ACED C[C@@H](CO)NC[C@@H](C#N)CCC#N 1328401033 QOKDBBIQJHZNCC-DTWKUNHWSA-N 181.239 0.400 30 20 ACED COCC#CC(=O)NC[C@@H]1C[C@@H]1C 1333801955 ZBZRXWBAOGKAIS-IUCAKERBSA-N 181.235 0.408 30 20 ACED CC[C@@H](F)C(=O)n1ncc(C#N)c1N 1358436504 IVYQIHSONYMGTK-ZCFIWIBFSA-N 196.185 0.725 30 20 ACED C=CCN1C[C@H](C)O[C@H](C(=O)O)C1 1776181601 GUFCGRRVMPDTMQ-YUMQZZPRSA-N 185.223 0.346 30 20 ACED CCN(C)C(=O)CN(C)CCC#N 37223391 IWHQCUCAYMZXOU-UHFFFAOYSA-N 183.255 0.310 30 20 ACED CC(C)N(C)CCNC(=O)CC#N 54134123 UAMXLDRUGGTVDZ-UHFFFAOYSA-N 183.255 0.356 30 20 ACED Cn1cc(C(=O)NCCCC#N)cn1 54137891 NQIYZBHFMPKYDK-UHFFFAOYSA-N 192.222 0.454 30 20 ACED C=CCN(CC=C)C(=O)[C@@H](C)CN 54337614 RVAWHELDLVIHMY-VIFPVBQESA-N 182.267 0.782 30 20 ACED C=C(C)CN1CC[C@@H](C(=O)O)C1 62134131 VTBXYGKGQRQTTH-MRVPVSSYSA-N 169.224 0.969 30 20 ACED CC[C@H](CC#N)NC(=O)CCCCO 86087057 URJZPIPSOQZOLW-SECBINFHSA-N 198.266 0.957 30 20 ACED CC#CC(=O)N[C@H](C(=O)O)[C@@H](C)CC 234007249 XYJWHVDQTJHARM-CBAPKCEASA-N 197.234 0.625 30 20 ACED C=C[C@H](NC[C@@]1(C)CCCO1)C(=O)O 301050181 SEQZTOIQMYMONG-WCBMZHEXSA-N 199.250 0.784 30 20 ACED C[C@]1(C(=O)NCCC#N)CCOC1 306600094 IPRUEWNGHSQMTK-VIFPVBQESA-N 182.223 0.443 30 20 ACED C#C[C@@H](CC)N/C(=N/C)NC 306775421 LOZAJBVKSFXXIA-ZETCQYMHSA-N 153.229 0.193 30 20 ACED N#C[C@@H]1CCC[C@@H](NCCO)C1 307518886 ZLPBLVPWPLUUPH-RKDXNWHRSA-N 168.240 0.651 30 20 ACED C[C@@H](C#N)OC(=O)[C@H]1CCOC1 307706474 XJNSOUKAYRLJIN-BQBZGAKWSA-N 169.180 0.478 30 20 ACED C=CCNS(=O)(=O)[C@H](C)COC 308163680 SUNDRIBTNMQWKK-SSDOTTSWSA-N 193.268 0.127 30 20 ACED CC#CCCCC(=O)NCCCO 308326962 HAQOZJSORBNBQM-UHFFFAOYSA-N 183.251 0.679 30 20 ACED C=CCOCC(=O)N1CCN[C@H](C)C1 308867622 GWNKJHVSEFWTNE-SECBINFHSA-N 198.266 0.009 30 20 ACED C=CCn1nc(C)c(C)c(CO)c1=O 334719118 IURKWOHXQVOKFV-UHFFFAOYSA-N 194.234 0.538 30 20 ACED C=CCN(C)C(=O)N[C@@H]1CO[C@H](C)C1 335387614 HWYQXCYHCWLDTM-BDAKNGLRSA-N 198.266 0.991 30 20 ACED C=CCN(C)CCNC(=O)C(C)C 388690613 KSQAOYOAMOHCOH-UHFFFAOYSA-N 184.283 0.876 30 20 ACED C#CCOCCN=c1cc[nH]cc1C 389223738 OSJNLKZAWLWIAK-UHFFFAOYSA-N 190.246 0.874 30 20 ACED C[C@@H](NCC#N)c1nnnn1C1CC1 389252358 CTYHFXVGKPMONS-ZCFIWIBFSA-N 192.226 0.182 30 20 ACED C=CCn1cc(C2CCNCC2)nn1 404900295 AXRYWFZRKFCFCW-UHFFFAOYSA-N 192.266 0.931 30 20 ACED N#CCn1ccc(-c2cnccn2)n1 409443735 SQVGZJXHKCEDEB-UHFFFAOYSA-N 185.190 0.864 30 20 ACED C[C@@H](C#N)CNC(=O)c1nncs1 530187540 SJKMKGRRLGSYPA-YFKPBYRVSA-N 196.235 0.428 30 20 ACED Cc1cc(C#CCO)ncn1 585144818 HPWDZUKDHBXVDL-UHFFFAOYSA-N 148.165 0.129 30 20 ACED C=CCCC(=O)N[C@@H](C(N)=O)C(C)C 593119710 WBUSEDNVLQROGS-SECBINFHSA-N 198.266 0.579 30 20 ACED C=C[C@H](O)C(=O)N[C@]1(C)CCO[C@@H]1C 613443422 KVSLKSIXWMRYDZ-KHQFGBGNSA-N 199.250 0.217 30 20 ACED C=C[C@H](O)C(=O)N1CC[C@@H]2CCC[C@@H]21 613693968 JCFUBQKHMJSVEZ-GUBZILKMSA-N 195.262 0.934 30 20 ACED C=C[C@@H](O)C(=O)NCc1occc1C 615184872 NTQBOWOVKLFXNI-MRVPVSSYSA-N 195.218 0.751 30 20 ACED COCC#CCN1CCC[C@@H](O)C1 649892752 HHIGAQVKWAVBJJ-SNVBAGLBSA-N 183.251 0.093 30 20 ACED C=C[C@@H](O)C(=O)N(CC)CC1CC1 668622496 ARDLXNPADPGTFX-SECBINFHSA-N 183.251 0.792 30 20 ACED CC#CCCNC(=O)NCCNCC 669563800 AGBCQJQXMJYENB-UHFFFAOYSA-N 197.282 0.309 30 20 ACED C=CCC[C@@H](O)CN1CCC[C@@H]1CO 675493155 VACDROCQMARLFF-GHMZBOCLSA-N 199.294 0.770 30 20 ACED C=C(C)CNC(=O)[C@@H](C)NC(=O)CC 681743583 IAJHSFFZBFHFAK-MRVPVSSYSA-N 198.266 0.593 30 20 ACED C=CCN(C)C(=O)C1(C(=O)NC)CC1 681743982 YZWRQJMXZBWLDK-UHFFFAOYSA-N 196.250 0.157 30 20 ACED N#CC1(Cn2ccnc2CN)CC1 691578638 UWSHUWMDGNXSIE-UHFFFAOYSA-N 176.223 0.646 30 20 ACED C#CCCNC[C@@H](C)S(C)(=O)=O 697621022 QLKWYQVVDWQSRX-MRVPVSSYSA-N 189.280 0.032 30 20 ACED C=CCCC(=O)N(C)[C@@H]1COC[C@H]1O 708584788 SRALQLOVNDSCGN-RKDXNWHRSA-N 199.250 0.171 30 20 ACED C#C[C@@H](CCC)NC(=O)NCCCO 820631226 VXFRRQWCDHAYNE-VIFPVBQESA-N 198.266 0.470 30 20 ACED C#CCCN[C@@H]1COC[C@H]1OCC 832456342 WTNOCHZUKLEPKB-NXEZZACHSA-N 183.251 0.403 30 20 ACED CC(C)C#CC(=O)N1C[C@@H](O)C[C@@H]1C 832836447 OMWKXWQTIGGWNL-UWVGGRQHSA-N 195.262 0.628 30 20 ACED CC#CCN(C)C(=O)CC1(O)CCC1 832926792 DIBDAHJOQCUJMS-UHFFFAOYSA-N 195.262 0.773 30 20 ACED CC(C)(C)C#CC(=O)OCC(N)=O 838377955 SYRWZHRTNKBISG-UHFFFAOYSA-N 183.207 0.064 30 20 ACED C#C[C@@H](C)N(C)C(=O)N[C@H](C)CNC 851680694 KFPPPONRBWVXBK-RKDXNWHRSA-N 197.282 0.257 30 20 ACED CNC[C@H](C)NC(=O)C#CC(C)(C)C 876977719 BRPADCVVCVUTDM-VIFPVBQESA-N 196.294 0.760 30 20 ACED C=CC(C)(C)CC(=O)NCCO 877968685 QCLYXVXUPUABEL-UHFFFAOYSA-N 171.240 0.697 30 20 ACED C[C@H]1COCC1=Nn1cnnc1 884369735 OAYAXBWKSDDOEC-LURJTMIESA-N 166.184 0.149 30 20 ACED C#CCCCNC(=N)NCC1CC1 887355135 DWASGYXXBHHCCL-UHFFFAOYSA-N 179.267 0.924 30 20 ACED CNC(=O)[C@H](C#N)C(=O)c1ccoc1 917003239 XEOHHDRIZSFPRB-SSDOTTSWSA-N 192.174 0.348 30 20 ACED CC[C@@](C)(O)C(=O)N1CC(C)(C#N)C1 935773039 KDYOGORBHMEHHD-SNVBAGLBSA-N 196.250 0.519 30 20 ACED C#CCNCCNC(=O)/C=C\C1CC1 1125261217 TUFVTBSHTHIUKZ-WAYWQWQTSA-N 192.262 0.292 30 20 ACED C=C(CC)C(=O)NC[C@H]1C[C@H](O)C1 1352648585 ZEEHNCMFHGADAM-KYZUINATSA-N 183.251 0.840 30 20 ACED C[C@H](C(=O)O)N1CC(C)(C#N)C1 1589487281 XRGKVZVQGAVKHD-ZCFIWIBFSA-N 168.196 0.305 30 20 ACED C[C@H](OC(=O)CC1(C#N)CC1)C(=O)O 1609794513 XTDJDLDQGYZMQS-LURJTMIESA-N 197.190 0.697 30 20 ACED C#CCN[C@@H](C)[C@H]1CCN(C(C)=O)C1 1754789423 MGDKXTIQYARAAV-ONGXEEELSA-N 194.278 0.466 30 20 ACED CC(C)(C)c1cc(C(=O)NO)n[nH]1 6620454 CQUXDZZBELYWEO-UHFFFAOYSA-N 183.211 0.826 30 20 ACED O=C(CCc1ccco1)NO 20252625 HOKPKZZOGUYTGC-UHFFFAOYSA-N 155.153 0.718 30 20 ACED CC[C@H](C)NC(=O)CN(C)CC#N 45050338 JYAHVNHBJKPZGT-QMMMGPOBSA-N 183.255 0.356 30 20 ACED COCC[C@@]1(C#N)CCOC1 83776395 NQFJOULEZGEKGV-QMMMGPOBSA-N 155.197 0.953 30 20 ACED C#CCN1CCSC[C@H]1C(=O)O 126710894 ISFTWSGLZUAEMC-ZETCQYMHSA-N 185.248 0.122 30 20 ACED CC#CCCNC(=O)c1csnn1 164584755 FEOUKMLAWDWCJP-UHFFFAOYSA-N 195.247 0.681 30 20 ACED C#C[C@H](C)NC(=O)N1CCOCC1 166652773 LJSAJVOGZJDOIE-QMMMGPOBSA-N 182.223 0.050 30 20 ACED C=C(C)CNC(=O)c1cnns1 167663915 RKYPDCZTVNISIU-UHFFFAOYSA-N 183.236 0.844 30 20 ACED CC#CCNC[C@@H](O)CC 167819669 TVWYSONAJJIGQU-QMMMGPOBSA-N 141.214 0.370 30 20 ACED C[C@H](CN)C(=O)C1=CCCO1 168322221 ZVLFNJSQIBZAEL-ZCFIWIBFSA-N 155.197 0.455 30 20 ACED C[C@H](CC#N)NC(=O)[C@H]1CCO[C@@H]1C 226512593 NVSPPCSQFUKMFC-HLTSFMKQSA-N 196.250 0.830 30 20 ACED C#CC[C@H](N)C(=O)C1CC1 226829804 CGFZBTQNCHRQPG-ZETCQYMHSA-N 137.182 0.316 30 20 ACED N#CCCNC(=O)c1cccc(=O)[nH]1 236408156 RJCHBPQQBIFAGB-UHFFFAOYSA-N 191.190 0.018 30 20 ACED N#CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)O 299895761 JJOKNKKGSRFXSG-DJLDLDEBSA-N 194.234 0.695 30 20 ACED C=C[C@H](N[C@H](C)COC)C(=O)O 301021260 KIKNAIMJYWFJAR-RQJHMYQMSA-N 173.212 0.250 30 20 ACED N#CCN1CCCN(CC#N)CC1 306181847 VRPOHIGBJSYVPD-UHFFFAOYSA-N 178.239 0.041 30 20 ACED C/N=C(\N)NC[C@H]1CC1(Cl)Cl 306185296 GYTFCJQAVLLNHH-SCSAIBSYSA-N 196.081 0.714 30 20 ACED N#Cc1ccc(C(=O)NO)[nH]1 306192586 SERRUPCYXXMIEG-UHFFFAOYSA-N 151.125 0.005 30 20 ACED CONC(=O)c1cnccc1C#N 306361664 QANLTGUKFCCSCL-UHFFFAOYSA-N 177.163 0.244 30 20 ACED CC#CC(=O)N1CCCOCC1 306431049 QVHGYWRZAQEART-UHFFFAOYSA-N 167.208 0.259 30 20 ACED CC#CCN1C(=O)N[C@H](CC)C1=O 306918515 AKLLEHXBICOOFX-SSDOTTSWSA-N 180.207 0.340 30 20 ACED N#CC1(NC(=O)c2cc[nH]c2)CC1 306971432 SIDGHSKUIURKKO-UHFFFAOYSA-N 175.191 0.801 30 20 ACED O=C[C@]1([C@@H]2CCOC2)CCOC1 307127416 CISVXRSPVIXCJA-RKDXNWHRSA-N 170.208 0.629 30 20 ACED C[C@H](C#N)CNC(=O)c1ccc[nH]1 307695321 JFAIZFJCOAQCQJ-SSDOTTSWSA-N 177.207 0.904 30 20 ACED C=C[C@@H](COC)NC(=O)NC1CC1 308261400 MRMZVIODQIAQGQ-ZETCQYMHSA-N 184.239 0.649 30 20 ACED C#CCN(CC#N)Cc1ccon1 308284269 ZQRHQOGZMQBGDQ-UHFFFAOYSA-N 175.191 0.633 30 20 ACED C=CCCC(=O)N1C[C@@H](O)[C@H](C)C1 308292060 HSSWWBBVIWMHNY-RKDXNWHRSA-N 183.251 0.792 30 20 ACED N#CCN(C(=O)CO)C1CCCC1 308423042 USDMTBDTUAJHCT-UHFFFAOYSA-N 182.223 0.273 30 20 ACED C/C(=C\Cn1cc(C#N)cn1)C(=O)O 308474658 DAWZZAVGCPIUNV-FARCUNLSSA-N 191.190 0.786 30 20 ACED CCN(CCC#N)CCn1cncn1 379341168 ZFUPHMPQUKSEMM-UHFFFAOYSA-N 193.254 0.514 30 20 ACED C#CCOCCC(=O)N[C@@H](C)CC 379354156 HPUBJAJAVKEBOJ-VIFPVBQESA-N 183.251 0.941 30 20 ACED C=CCCC(=O)OCC(=O)NCC 379362981 IXQOGRBXQKNYIC-UHFFFAOYSA-N 185.223 0.632 30 20 ACED C=C[C@H](CO)N[C@H]1CC[C@@H](C#N)C1 379377809 YZQPRTQQHSRTCX-BBBLOLIVSA-N 180.251 0.815 30 20 ACED CCCNN=Cc1cn(C)nc1O 379390949 USNYXVPVLUQQTN-UHFFFAOYSA-N 182.227 0.459 30 20 ACED C#CC(=O)N(CCC)CC(C)(C)O 379393591 VDYOMMUNJDFQHH-UHFFFAOYSA-N 183.251 0.629 30 20 ACED C=CCNC(=O)N[C@@H](C=C)COC 379402079 MFLVGZBOMVIOCW-QMMMGPOBSA-N 184.239 0.673 30 20 ACED 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590490999 VJERTWLAAOJFJN-SNVBAGLBSA-N 196.250 0.519 30 20 ACED CC[C@@H](N)CNCc1ccc(C#N)o1 600768172 DKHOMWPKLQFJRA-MRVPVSSYSA-N 193.250 0.978 30 20 ACED C=C[C@](C)(O)C(=O)NCC1(C)CC1 611917361 YVIOMBLVGRAURV-JTQLQIEISA-N 183.251 0.840 30 20 ACED CCCCN(CCCO)C(=O)CC#N 614014638 YXQPFHVKPCEKHZ-UHFFFAOYSA-N 198.266 0.911 30 20 ACED C=CCCNC(=O)N(CC)CCN 627112095 IQRQCEXFFBXCON-UHFFFAOYSA-N 185.271 0.553 30 20 ACED C[C@H](C#N)C(=O)NOCC1CCC1 711131023 RVSLIKIZQGZPDZ-SSDOTTSWSA-N 182.223 0.994 30 20 ACED C#CC(=O)NCCCC(=O)OC(C)C 765810695 PTTZOOVIOPJHSH-UHFFFAOYSA-N 197.234 0.468 30 20 ACED CC(=NNCCO)c1cncc(C)c1 814941950 AFLSLVMIROPEQY-UHFFFAOYSA-N 193.250 0.696 30 20 ACED CC(=NNC[C@H](C)O)c1ccncc1 814964075 VHUGMYYHBHYXQN-QMMMGPOBSA-N 193.250 0.776 30 20 ACED C[C@@H](CCC#N)N1CCCNC(=O)C1 829180389 TXOOZLYHSPLMOV-VIFPVBQESA-N 195.266 0.501 30 20 ACED C#CCNC(=O)N[C@@H]1CCC[C@H](N)C1 841507143 OVVORYVCXNLKIW-DTWKUNHWSA-N 195.266 0.189 30 20 ACED CO[C@H](C)C(C)=NN(C)[C@H](C)CO 842540619 AOONNYJOXNNQII-VXNVDRBHSA-N 188.271 0.710 30 20 ACED C[C@H](CCC#N)N1C[C@@H]2C[C@@]2(CO)C1 844321555 YGULGYFQCHSHHA-VWYCJHECSA-N 194.278 0.993 30 20 ACED C[C@@H](CC#N)N(C)Cc1cnon1 851809470 QPJLBNTZBXRGEL-ZETCQYMHSA-N 180.211 0.804 30 20 ACED CCN(CC#N)Cc1cn(CC)nn1 883999703 QCBAMPVQXFGKTD-UHFFFAOYSA-N 193.254 0.643 30 20 ACED C=C1CN(C[C@]2(O)CCCOC2)C1 899900873 XHLMYTBHXIDYSE-SNVBAGLBSA-N 183.251 0.400 30 20 ACED C#CCN1CCC[C@H](NCCC#N)C1 905462151 SKRJNLWLIDALGC-NSHDSACASA-N 191.278 0.587 30 20 ACED C=C[C@@](C)(CC)C(=O)Nn1ccnn1 908832971 WGMLZDDOUOIOLR-VIFPVBQESA-N 194.238 0.951 30 20 ACED C#CCCCC(=O)NC(C)(C)C(=O)O 908837509 SJZYPUHFCCLWHI-UHFFFAOYSA-N 197.234 0.769 30 20 ACED C#C[C@H](CC)NCCC(=O)N(C)OC 1120507397 JKLMMXVAPXSBDO-SECBINFHSA-N 198.266 0.398 30 20 ACED C#CCN[C@H](C)C[C@H](C)NC(C)=O 1133427672 NZEKDBKXCZUXFQ-BDAKNGLRSA-N 182.267 0.512 30 20 ACED C=C(CC)C(=O)N(C)CC(=O)OC 1346153756 SYODBIHEHYAOIZ-UHFFFAOYSA-N 185.223 0.584 30 20 ACED C#CCN(Cc1cnn[nH]1)C(C)C 1574936677 CCLKKCLOYYZUHR-UHFFFAOYSA-N 178.239 0.648 30 20 ACED C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](N)CC 1574960096 NWRXBXKXZUDYBH-YIZRAAEISA-N 198.266 0.183 30 20 ACED C#CC[C@H](NCC1(C)CC1)C(=O)O 1588422580 LICISGDBDOITDG-QMMMGPOBSA-N 181.235 0.853 30 20 ACED N#CCNC(=O)CC(F)(F)F 37714261 ISUKBBMRUKAPRL-UHFFFAOYSA-N 166.102 0.579 30 20 ACED NC/C(O)=N/c1nncs1 42238290 WSEAHDXXNPKDEV-UHFFFAOYSA-N 158.186 0.085 30 20 ACED CCC(=O)NC[C@H](C)C#N 54157370 MZROIVVOSLPRAX-ZCFIWIBFSA-N 140.186 0.672 30 20 ACED CC[C@H](C#N)C(=O)N1CC[C@@H](O)C1 61712480 VBNKVTHOJNBVRW-HTQZYQBOSA-N 182.223 0.129 30 20 ACED CCNC(=O)N1CCC[C@@H](C#N)C1 70663203 SBDWESZCSOCZFT-QMMMGPOBSA-N 181.239 0.951 30 20 ACED C#CCCN1CCCC1=O 82494178 AMKJAWSEYYHZLW-UHFFFAOYSA-N 137.182 0.632 30 20 ACED C=CCN(C)C(=O)CNCC1CC1 131138706 VLMUNSWWTHKZEN-UHFFFAOYSA-N 182.267 0.630 30 20 ACED CCN(CC#N)CC[C@H](C)O 133779393 KHDYLFQCULZMBC-QMMMGPOBSA-N 156.229 0.603 30 20 ACED CCCCn1cnnc1C#N 204939444 RTKJCBZSWXPLJC-UHFFFAOYSA-N 150.185 0.950 30 20 ACED CCC(C=NNC(=N)N)CC 252447898 QCDVBGSZWATEGV-UHFFFAOYSA-N 156.233 0.891 30 20 ACED CC1(C)NCCO[C@H]1C#N 259962805 DGOQBYUSMSPICQ-LURJTMIESA-N 140.186 0.277 30 20 ACED C=C[C@@H](NCc1ccon1)C(=O)OC 301053700 YTPNUGYHHJRYNG-MRVPVSSYSA-N 196.206 0.492 30 20 ACED C#CC(=O)CC[C@H]1CCCN1 306294527 CMRPGYZNBBMSMT-MRVPVSSYSA-N 151.209 0.721 30 20 ACED C#CCONC(=O)[C@@H]1CCCOC1 306300337 JJELPUIPASSBPN-MRVPVSSYSA-N 183.207 0.094 30 20 ACED CC#CC(=O)NC[C@@]1(C)CCCO1 306503471 HWHNQXSAPKWASZ-SNVBAGLBSA-N 181.235 0.695 30 20 ACED C=CCCN1CCCS1(=O)=O 306511681 NTZSCEKTYBNEGZ-UHFFFAOYSA-N 175.253 0.598 30 20 ACED C#CC(=O)N(C)[C@@H](C)C1CC1 306926084 OVYBJOBIBSFZKA-ZETCQYMHSA-N 151.209 0.877 30 20 ACED CC[C@@](C)(C#N)NC(=O)[C@H](C)O 307027176 ZKTPRAXBJKYVGJ-XPUUQOCRSA-N 170.212 0.176 30 20 ACED C[C@H](C(=O)NCC#N)n1ccnc1 307632964 QMXZYFOFBAKNDP-SSDOTTSWSA-N 178.195 0.084 30 20 ACED C#C[C@H](C)N(C)C[C@H](O)CC 307638715 YREMOLOLDWIIQY-DTWKUNHWSA-N 155.241 0.711 30 20 ACED C#CC(=O)NCc1scnc1C 307758291 OFKQESHDCNSGBX-UHFFFAOYSA-N 180.232 0.701 30 20 ACED C#CCNC(=O)[C@@H](CC)[C@H](C)O 308015843 HJHIPRBSYQQKAS-YUMQZZPRSA-N 169.224 0.143 30 20 ACED C=C[C@@H](C)NS(=O)(=O)CCCF 308037335 LFIYCWAGQCTPCG-SSDOTTSWSA-N 195.259 0.840 30 20 ACED CC#CCN1CCNC(=O)[C@H]1C(C)C 335914279 FXFXKWOESBQFTA-SNVBAGLBSA-N 194.278 0.466 30 20 ACED C=C[C@H](CO)NC(=O)C(C)(F)F 379321143 ZYJRHFBGCDJNDN-RXMQYKEDSA-N 179.166 0.305 30 20 ACED CC#CCCNC(=O)C=NOC 379336379 PZCJGVCABCVUQL-UHFFFAOYSA-N 168.196 0.148 30 20 ACED C=CCCn1cc(C(=O)OC)nn1 379394135 WNULKQZANSZYJV-UHFFFAOYSA-N 181.195 0.641 30 20 ACED C#CCN(C)C/C=C(\C)C(=O)O 383702154 GHBOBSDVJCUOCV-VMPITWQZSA-N 167.208 0.582 30 20 ACED C#C[C@@](C)(CC)NCC(=O)OCC 384148390 GEJFNMLLYZCTOX-JTQLQIEISA-N 183.251 0.941 30 20 ACED C=CCN(C)[C@@H](CC)C(N)=O 388095230 PCGIVSPNNZCOSS-ZETCQYMHSA-N 156.229 0.368 30 20 ACED C=CCNC(=O)NCCC(C)(C)O 393545608 FNAGLXSCJBVGHZ-UHFFFAOYSA-N 186.255 0.633 30 20 ACED C[C@H](O)C#Cc1cnn(C)c1 585143592 CODGTTSSZVKFOH-ZETCQYMHSA-N 150.181 0.152 30 20 ACED Cc1nsc(C#CC(C)(C)O)n1 585145137 ZGDXMGVOPLOTFB-UHFFFAOYSA-N 182.248 0.969 30 20 ACED C[C@@H](O)CCN1CC[C@](O)(CC#N)C1 592153017 HQEIMBKZFZQVHA-NXEZZACHSA-N 198.266 0.108 30 20 ACED C=C[C@@H](O)C(=O)NCC(C)(C)C#N 597489456 KMAKNXLYQJDSBW-SSDOTTSWSA-N 182.223 0.199 30 20 ACED CC[C@@H](Cn1cc(C#N)nn1)OC 603336836 SVQKWRWXOPMFCR-QMMMGPOBSA-N 180.211 0.575 30 20 ACED Cn1ncnc1CN(CC#N)C1CC1 610542831 KHLOBGINOZLOTR-UHFFFAOYSA-N 191.238 0.303 30 20 ACED C=CCCNC(=O)[C@@H](CC)NC(C)=O 633614290 FPYKBBKLSZORKT-SECBINFHSA-N 198.266 0.593 30 20 ACED C=C(CC)CNC(=O)N(C)CCCN 633716320 UPLANFIOMJEMGH-UHFFFAOYSA-N 199.298 0.943 30 20 ACED C=C[C@@H]1OCCC[C@H]1NC[C@H](C)CO 650079586 ZTTYJUBPDHZISI-AXFHLTTASA-N 199.294 0.938 30 20 ACED C=C[C@@H](O)C(=O)NC1CCC1 668416293 WNUBBWUPLOQUSX-SSDOTTSWSA-N 155.197 0.202 30 20 ACED COC[C@]1(C(=O)O)CCCN1CC#N 692311040 WLCIOTHHVDXJER-VIFPVBQESA-N 198.222 0.076 30 20 ACED C#CCONC(=O)c1cnccc1C 694733911 KVVCIHRIDDMFGM-UHFFFAOYSA-N 190.202 0.685 30 20 ACED CC(C)COCn1cnc(C#N)n1 714538664 SPHAYVMQYMXUOP-UHFFFAOYSA-N 180.211 0.780 30 20 ACED C#CC[C@H](CO)NC(=O)/C(C)=C/CC 717775059 PHMYRUSWTCQULW-OLKPEBQYSA-N 195.262 0.843 30 20 ACED C#C[C@H](CC)NC(=O)C1(CC)COC1 754390471 POUJKJIDEQLYAA-SECBINFHSA-N 195.262 0.941 30 20 ACED C#CCNC(=O)c1cccc2nccn12 770419339 ZCYOLMQJHIEXID-UHFFFAOYSA-N 199.213 0.697 30 20 ACED CON=CC(=O)N1C[C@H]2[C@H](C1)C2(C)C 774005268 VPLDNXBJVUBUMQ-YUMQZZPRSA-N 196.250 0.733 30 20 ACED C#C[C@H](C)NC(=O)Cc1cncn1C 807273873 CJEFWHZAJZSEMI-QMMMGPOBSA-N 191.234 0.101 30 20 ACED N#Cc1cccc(C(=O)OCCO)n1 811251642 KRYYSNXEOKFTCN-UHFFFAOYSA-N 192.174 0.102 30 20 ACED C#CCON1C(=O)N(C)C(C)(C)C1=O 811844105 KYVFHUNSGXUFHQ-UHFFFAOYSA-N 196.206 0.224 30 20 ACED C#C[C@@H](CCC)NC(=O)[C@@H](O)C=C 834364338 XSWJWDDSDRGNJH-IUCAKERBSA-N 181.235 0.451 30 20 ACED C#CCN(C)C(=O)N[C@H](C#C)C(C)C 838598958 YMUPHQDAZYUPSU-SNVBAGLBSA-N 192.262 0.919 30 20 ACED C=CCNC(=N)NCc1cc[nH]n1 848994284 BCMWYDVEFGMGNC-UHFFFAOYSA-N 179.227 0.210 30 20 ACED CNCCN(C)Cc1ccc(C#N)o1 863641394 AKQOLBXHXCIVQU-UHFFFAOYSA-N 193.250 0.802 30 20 ACED CC[C@H](O)[C@@H](C)C(=O)N[C@@H](C)CC#N 900432797 HPUQVLBEJFKIPX-YIZRAAEISA-N 198.266 0.812 30 20 ACED N#CCN(CN1CCOC1=O)C1CC1 902076206 JGGOBPSNZRRKER-UHFFFAOYSA-N 195.222 0.384 30 20 ACED C=C[C@H](C)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 906963179 HXSOSFPCIZNQCU-WPYKOPORSA-N 193.246 0.902 30 20 ACED C#CCCNC(=O)O[C@@H]1CCOC1 914110578 KQTOPROXWWCLGP-MRVPVSSYSA-N 183.207 0.525 30 20 ACED COCC#CC(=O)N1CC[C@H](C)[C@@H]1C 1118716085 IHTAFPWZGLWSEJ-UWVGGRQHSA-N 195.262 0.893 30 20 ACED C[C@@H](N)c1cn(CC2(C#N)CC2)nn1 1352992345 MSHCXELFUGELTI-SSDOTTSWSA-N 191.238 0.602 30 20 ACED C/C(=C\CNC(=O)CC#N)C(=O)O 1588964317 GDQGZNKHQRCQDG-ZZXKWVIFSA-N 182.179 0.047 30 20 ACED CC[C@H](C#N)C(=O)NCCCC(=O)O 1594721799 CVLFQGINOUKPNX-SSDOTTSWSA-N 198.222 0.517 30 20 ACED C#CCOCCN[C@H](CC)C(=O)O 1602728237 OYUZXKQDQWCAEC-MRVPVSSYSA-N 185.223 0.089 30 20 ACED N#CCCN1CCC2(CC1)OCCO2 31945985 GBQZWWRYBZXWCF-UHFFFAOYSA-N 196.250 0.739 30 20 ACED C[C@H](N)[C@H](C)S 32153247 XNMFUOBRLLJWJV-IMJSIDKUSA-N 105.206 0.652 30 20 ACED C[C@@H](C#N)C(=O)Nc1ccnn1C 44828150 ZKBJYFODLGMTAQ-LURJTMIESA-N 178.195 0.518 30 20 ACED CNC(=O)CN(CCC#N)CC(C)C 49800780 BPLRHJDURJYENS-UHFFFAOYSA-N 197.282 0.604 30 20 ACED CC#CCN(CC)CC(=O)OCC 51666295 SKCCXFBZBOWQLY-UHFFFAOYSA-N 183.251 0.895 30 20 ACED C=CCN(C)[C@@H](C)C(=O)O 54069032 MNMGUDIKDOESKV-LURJTMIESA-N 143.186 0.577 30 20 ACED Nc1ccc(C#CC(=O)O)cc1 59345377 RWFWFVMXYURNLS-UHFFFAOYSA-N 161.160 0.705 30 20 ACED N/C(CN1Cc2ccccc2C1)=N\O 60246764 VOQOJEBXNBUQDP-UHFFFAOYSA-N 191.234 0.749 30 20 ACED N#CCC1(Cn2cncn2)CC1 83855366 WNYHXHABMCMYMD-UHFFFAOYSA-N 162.196 0.972 30 20 ACED N/C(=N\O)[C@@H]1C[C@H]2CCCCN2C1 101799820 FWGLLTZMNGADSQ-HTQZYQBOSA-N 183.255 0.607 30 20 ACED C=CCN(CC=C)Cc1c[nH]nn1 142765179 VXRKICUEKKMQLU-UHFFFAOYSA-N 178.239 0.979 30 20 ACED O=C(NO)c1cncc(F)c1 160135339 QNXNKBDCYNSXEC-UHFFFAOYSA-N 156.116 0.340 30 20 ACED C=C(C)CNC(=O)c1cnsn1 167674219 JTHTXNAELDINGD-UHFFFAOYSA-N 183.236 0.844 30 20 ACED C[C@H](C#N)C(=O)NCCn1cccc1 225018666 KPWOLYYRNLWDKL-SECBINFHSA-N 191.234 0.764 30 20 ACED CC#CC(=O)N(C)C[C@H](C)C(=O)OC 227879274 MRXXZTYLSDTXNM-QMMMGPOBSA-N 197.234 0.277 30 20 ACED Cn1cncc1C(=O)NC(C)(C)C#N 236072916 NNJODHJAJIVHOL-UHFFFAOYSA-N 192.222 0.452 30 20 ACED C[C@H](C(=O)NO)N1CCCCCC1 306191111 QWUTVVXTJFLNTF-MRVPVSSYSA-N 186.255 0.756 30 20 ACED CC#CCN1C[C@@H](O)[C@H](CC)C1 306542150 YPVKQDNSLYVTDZ-NXEZZACHSA-N 167.252 0.712 30 20 ACED CO[C@@H](C)C(=O)NC1(C#N)CCC1 306557423 HJDRFAFXRFMYPV-ZETCQYMHSA-N 182.223 0.584 30 20 ACED C[C@H](C#N)C(=O)NCc1cc[nH]n1 306687648 HYLBLMNKGZWGDM-ZCFIWIBFSA-N 178.195 0.186 30 20 ACED C=C[C@@H](C)ONC(=O)C(F)F 307702169 ONERWCJEFJXGER-SCSAIBSYSA-N 165.139 0.874 30 20 ACED C#CCN(CCC(=O)O)CC1CC1 308416133 QWYFUVLHCFSZDY-UHFFFAOYSA-N 181.235 0.806 30 20 ACED N#Cc1cnn2ccn(CCCO)c12 336382912 CFBPGNFDNSYYIB-UHFFFAOYSA-N 190.206 0.390 30 20 ACED C[C@@H](C#N)OCCn1ccsc1=O 379356000 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ACED in-vitro C=CCN(C(=O)[C@@H](N)CC)C1CC1 131132789 UYQAFVWJNWHATE-VIFPVBQESA-N 182.267 0.901 30 20 ACED C=CCN(C)C(=O)[C@@H](CC)CN 131174775 NRVBWHMZHWMUTD-QMMMGPOBSA-N 170.256 0.616 30 20 ACED CCO/C=C1/COCCC1=O 135122823 OGABBMNDDQSTEN-ALCCZGGFSA-N 156.181 0.896 30 20 ACED CCOC(=O)C#Cc1cnn(CC)c1 135336057 BSGKUWBKGVYIIZ-UHFFFAOYSA-N 192.218 0.818 30 20 ACED C=CCSc1n[nH]c(=O)n1C 166545175 OLJGWDCLUXGYEU-UHFFFAOYSA-N 171.225 0.387 30 20 ACED C#CCCN1CC[C@H](C)[C@@H]1CO 227178408 PWUIGUUKCKNOOF-UWVGGRQHSA-N 167.252 0.712 30 20 ACED C=C(C)CNC(C)(C)CC(N)=O 230650916 RTXGMKAYGVIGHN-UHFFFAOYSA-N 170.256 0.806 30 20 ACED C=C[C@@H](Sc1ncn[nH]1)C(=O)O 300958511 GAIQXAJVOKKRJC-SCSAIBSYSA-N 185.208 0.536 30 20 ACED C=C[C@@H](C(=O)OC)N1CCO[C@@H](C)C1 301019748 JPKNIZLGQMVXHU-IUCAKERBSA-N 199.250 0.435 30 20 ACED C[C@H](C#N)OC(=O)c1cnn(C)c1 306161278 PZSOXPLXVWIROI-ZCFIWIBFSA-N 179.179 0.489 30 20 ACED CC[S@@](C)(=O)=NC(=O)[C@H](C)C#N 306969132 IGOLKALYNVCMCP-SREIQFSDSA-N 188.252 0.790 30 20 ACED C=C[C@H](CO)NCc1ccccn1 308194582 QZVHXJNUHGYUAL-SECBINFHSA-N 178.235 0.718 30 20 ACED C[C@@H](C#N)CNC(=O)Nc1ccon1 335740607 AXXWIXLPSNBZTB-LURJTMIESA-N 194.194 0.956 30 20 ACED CC[C@H](NN=Cc1cocn1)C(=O)O 378860914 PXDUGIMJEMPRSA-ZETCQYMHSA-N 197.194 0.461 30 20 ACED C#CCN(CC)[C@H](C)C(=O)N(C)C 379403705 PYMRDTJFEJVRNK-SECBINFHSA-N 182.267 0.418 30 20 ACED C#CCCN[C@@H](C)c1ncn(C)n1 379414651 OKWGIMJMSXEBPG-QMMMGPOBSA-N 178.239 0.489 30 20 ACED OCCNN=Cc1cccnc1Cl 382175089 XQFWYBJUQLAVMF-UHFFFAOYSA-N 199.641 0.651 30 20 ACED C=C(C)CCNCc1cnn(C)n1 386880010 LYYQSUSNJVHXFR-UHFFFAOYSA-N 180.255 0.871 30 20 ACED C[C@@H](O)CNN=Cc1ccccn1 393445811 ACJXKZCPAWNWLQ-MRVPVSSYSA-N 179.223 0.386 30 20 ACED C=C[C@@H](O)C(=O)OCc1ccon1 393720629 RTNKRCGMWSSOKZ-SSDOTTSWSA-N 183.163 0.265 30 20 ACED C=CCNCc1cn(CC)nn1 404506239 MLTUMHRGDQNQEY-UHFFFAOYSA-N 166.228 0.574 30 20 ACED C=CCN1CC[C@H](O)[C@H](C(=O)OC)C1 409422596 INWOMRCOGDDGGF-BDAKNGLRSA-N 199.250 0.028 30 20 ACED Cn1cncc1C#CC(C)(C)O 585144844 JCUACHXOBUCOBO-UHFFFAOYSA-N 164.208 0.543 30 20 ACED CC(C)(CO)C(=O)NCCCC#N 594338001 WMAGFYIIADUDCG-UHFFFAOYSA-N 184.239 0.425 30 20 ACED C=C1CN(c2c([N+](=O)[O-])ncn2C)C1 603409834 MCZBMBYJPANBQX-UHFFFAOYSA-N 194.194 0.705 30 20 ACED C[C@@H](C#N)NC(=O)[C@@H]1C[C@]12CCOC2 617790270 AODJEPWNCFXZKB-NRPADANISA-N 194.234 0.441 30 20 ACED Cc1cnc(NCC#CCO)nc1 663879463 QQLDNTMETSRLLE-UHFFFAOYSA-N 177.207 0.193 30 20 ACED C=C[C@@H](O)C(=O)NC[C@@H]1CCCCO1 667201616 RYDOWLATBLIOQM-DTWKUNHWSA-N 199.250 0.219 30 20 ACED C#C[C@@H](C)NC(=O)Cc1ccncc1 700595456 DGJVDMUDSPNBEZ-SECBINFHSA-N 188.230 0.762 30 20 ACED C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](O)C1 720938973 DVBHIXFZHZCONN-FXQIFTODSA-N 182.223 0.033 30 20 ACED C[C@@H]1C[C@H]1C(=O)N(CC#N)CC(=O)O 736759809 LFHHTZBEQNFKJL-RNFRBKRXSA-N 196.206 0.079 30 20 ACED CCn1nccc1C=NN[C@@H](C)CO 753706587 ABWUTAQYGXZPTG-QMMMGPOBSA-N 196.254 0.207 30 20 ACED C#C[C@@H](C)NC(=O)CN(CC)C1CC1 775387650 FUJDYQQEYYRTAV-SECBINFHSA-N 194.278 0.609 30 20 ACED C#C[C@H](C)NC(=O)N(C)C[C@@H](C)OC 805309309 NEIZRNCOKGEXGE-DTWKUNHWSA-N 198.266 0.684 30 20 ACED CS[C@@H]1CCC1=NNCC(=O)O 819813382 NWTMAUFGPYAKEI-ZCFIWIBFSA-N 188.252 0.542 30 20 ACED C=C[C@@H](C)NC(=O)CN(C)C(=O)O 823491669 ZYKUUZUCJZPDOM-ZCFIWIBFSA-N 186.211 0.287 30 20 ACED C#CC[C@H](N[C@@H]1CC[C@@H]1C)C(=O)OC 839167416 DCFWZPOPIPEWED-AEJSXWLSSA-N 195.262 0.939 30 20 ACED C#CCN(CC#N)C(=O)C#CC(C)C 847174289 SJTSEYGTUCZXDZ-UHFFFAOYSA-N 188.230 0.631 30 20 ACED CN(CCCN)C(=O)C#CC(C)(C)C 876534154 ADQPNIQOZZFJEO-UHFFFAOYSA-N 196.294 0.843 30 20 ACED C#CCOCCNc1cc(O)ncn1 893144485 QUHUOGBHLLSXET-UHFFFAOYSA-N 193.206 0.244 30 20 ACED C#CCSCC(=O)NOCC1CC1 897840467 GODQPRALYFVUCA-UHFFFAOYSA-N 199.275 0.811 30 20 ACED C=C1CN(C[C@H](O)Cn2cccn2)C1 899899826 CBSFGAYRSVNIHH-JTQLQIEISA-N 193.250 0.116 30 20 ACED C=C[C@H](CC)CC(=O)OCC(N)=O 909528512 BYZJXMHDWMJKMW-SSDOTTSWSA-N 185.223 0.617 30 20 ACED C#CCN1CCC(C(=O)NOC)CC1 918758935 JBQYKOGDUTVDLX-UHFFFAOYSA-N 196.250 0.009 30 20 ACED COCC#CC(=O)N1CC[C@@H]2C[C@@H]2C1 1118733924 RUZCIKOPGOXPMT-NXEZZACHSA-N 193.246 0.505 30 20 ACED CCN(CC#N)C(=O)[C@@H]1C[C@@H]1F 1337004595 OOGSISXWKMLPAH-RQJHMYQMSA-N 170.187 0.716 30 20 ACED C#CC[C@H](N[C@H]1CO[C@@H](C)C1)C(=O)O 1588422560 LBFHOJDOVICLTG-YIZRAAEISA-N 197.234 0.230 30 20 ACED C#CCNC(=O)[C@H](C)N[C@@H](C)C(C)C 20364065 ZEFMHTNTKBZPPI-UWVGGRQHSA-N 196.294 0.758 30 20 ACED C[C@H](O)C#Cc1ccncc1 22203551 RYPZEXFAFDHRMQ-QMMMGPOBSA-N 147.177 0.814 30 20 ACED C=CCCC(=O)N[C@H]1CCOC1=O 35923616 SVGQJWCQSMPZPV-ZETCQYMHSA-N 183.207 0.384 30 20 ACED C[C@@H](C#N)C(=O)N(C)CCC#N 44813223 PCFINLLWTGIZSM-ZETCQYMHSA-N 165.196 0.518 30 20 ACED C[C@@H](CC#N)N(C)CCC(=O)O 63087165 RBIZIURGUWJYLX-ZETCQYMHSA-N 170.212 0.695 30 20 ACED CC(C)[C@H](C#N)NC(=O)[C@@H]1CCOC1 70650756 FFBBBAJRGVWLEG-BDAKNGLRSA-N 196.250 0.687 30 20 ACED C#CCN1CCCCC[C@H]1C(=O)O 80991901 DMHGIGHUMMXPIJ-VIFPVBQESA-N 181.235 0.949 30 20 ACED CNC(=O)CCCN(C)[C@@H](C)CC#N 82672617 VTDGAGUDBMGWSL-VIFPVBQESA-N 197.282 0.747 30 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306875772 HFHQCBQPZSZXOL-BDAKNGLRSA-N 196.250 0.831 30 20 ACED C[C@@H]1CCN(C(=O)NCCC#N)C1 307190844 ACFWVEKDWGMPBE-MRVPVSSYSA-N 181.239 0.951 30 20 ACED C#CC(=O)[C@@H](N)C1CCC1 307222952 ZFUUKBXJWNWSAO-QMMMGPOBSA-N 137.182 0.316 30 20 ACED C#CC(C)(C)NC(=O)C[C@H]1CCOC1 307287278 UHUVJUXWVDYFOR-SECBINFHSA-N 195.262 0.941 30 20 ACED CC(C)(C=O)[C@H]1CCS(=O)(=O)C1 307437453 QPGORRLYVXAEJG-ZETCQYMHSA-N 190.264 0.646 30 20 ACED C#CCOC(=O)CCOC 307586681 QLFSFYLTQWXUTR-UHFFFAOYSA-N 142.154 0.199 30 20 ACED C#CC(=O)[C@@H]1CCNC[C@@H]1C 307686562 DBBFQXCVHRGCAW-JGVFFNPUSA-N 151.209 0.434 30 20 ACED N#CCCCC(=O)N[C@H]1CCOC1 308189959 MZNZOLLZLSSFSQ-QMMMGPOBSA-N 182.223 0.585 30 20 ACED CC[C@H](C)/N=C(/N)NCCCO 308339352 PZKJGYCBAQNZKK-ZETCQYMHSA-N 173.260 0.072 30 20 ACED C=CCOCC(=O)N1CCCNCC1 309080475 OYKMMECKKBBDSJ-UHFFFAOYSA-N 198.266 0.011 30 20 ACED C=CC(C)(C)C(=O)Nc1nncn1C 336196369 GYNOLNOHTKJBTL-UHFFFAOYSA-N 194.238 0.966 30 20 ACED C#CCNC(=O)NCCCC#N 379331165 CEEDOWBCGWCGAA-UHFFFAOYSA-N 165.196 0.223 30 20 ACED C=C[C@H](O)C(=O)OCCSC 388067242 BFTLIIGOSKAYFT-LURJTMIESA-N 176.237 0.440 30 20 ACED C#C[C@@H](C)N(C)CCCOC 388104594 VYQWFYZAVLTGII-SECBINFHSA-N 155.241 0.976 30 20 ACED C=CCOCC(=O)OCCCO 388433245 OKSIPBJODUNRQI-UHFFFAOYSA-N 174.196 0.115 30 20 ACED C=CCN[C@H](C(=O)NCC)C(C)C 393515272 KVNSGFXEYNOBQW-VIFPVBQESA-N 184.283 0.923 30 20 ACED N#CCn1cc(CCC(=O)O)cn1 575623441 RSBUSWZNMJUDAC-UHFFFAOYSA-N 179.179 0.424 30 20 ACED C[C@H](CCC#N)N(C)CCC(N)=O 593029087 STAOOWDWASSPMR-MRVPVSSYSA-N 183.255 0.486 30 20 ACED CC[C@H](C#N)C(=O)NC[C@@H](O)C(C)C 593532448 WDCZEQVSWOMYJA-RKDXNWHRSA-N 198.266 0.669 30 20 ACED C[C@@H](CC#N)N(C)C(=O)[C@H]1C[C@H](N)C1 602592709 LBFXIDCOHGXRNY-CIUDSAMLSA-N 195.266 0.484 30 20 ACED C[C@H](O)CCCN1CCOC[C@H]1C#N 616111085 HDVLQDIXYYDNBO-VHSXEESVSA-N 198.266 0.372 30 20 ACED C=C[C@@H]1OCC[C@H]1NCCOC 650029236 KQLUINXXPVDVEO-BDAKNGLRSA-N 171.240 0.566 30 20 ACED C=C(C)CCNC(=O)NC[C@@H](C)O 656154131 CKVBHKARFXYOTD-MRVPVSSYSA-N 186.255 0.633 30 20 ACED C=C[C@H](CO)NCc1snnc1C 662168666 PSOWPKSGILTBIM-SSDOTTSWSA-N 199.279 0.483 30 20 ACED C=CCOCCN[C@@H]1CCC[C@H]1N 665276094 YJOPLSBGBCMEIQ-NXEZZACHSA-N 184.283 0.658 30 20 ACED C#C[C@H]1CC[C@H]1CO 669370331 HWRCSRPRXDVJNA-BQBZGAKWSA-N 110.156 0.638 30 20 ACED CCC#C[C@H](C)N(C)CCC(=O)NC 677478093 NCXRNLOGASRKFJ-JTQLQIEISA-N 196.294 0.856 30 20 ACED C=C[C@H](CO)N[C@H]1COC[C@H]1C 717523639 GBEXZSVQQWFORM-HLTSFMKQSA-N 171.240 0.158 30 20 ACED C#CC[C@H](CO)NC(=O)NCC1CC1 717731863 AMSMQRUJLOIBND-SECBINFHSA-N 196.250 0.080 30 20 ACED C#CC[C@H](CO)N[C@H]1CCO[C@H](C)C1 717771390 YVROMCIRVOYBQN-OUAUKWLOSA-N 197.278 0.528 30 20 ACED C=CCN(C)CCS(=O)(=O)CC 759378919 YHFZDTCBOVZXTC-UHFFFAOYSA-N 191.296 0.539 30 20 ACED C[C@H]1CC(=NC(=O)c2cc[nH]c2)NO1 765376791 QELVNUGLNBKJOK-LURJTMIESA-N 193.206 0.867 30 20 ACED C#CCCCC(=O)NOCCCOC 805042485 UMDKNBWYUODISO-UHFFFAOYSA-N 199.250 0.874 30 20 ACED C=CCCON1C(=O)N[C@@H](CC)C1=O 806673458 INJXOHDRKDXJJL-ZETCQYMHSA-N 198.222 0.825 30 20 ACED CON=CC(=O)NCc1cccn1C 809703705 OOGHCVIFBTWKBX-UHFFFAOYSA-N 195.222 0.274 30 20 ACED C#CCN1CCC2(CC1)OCCCO2 815156128 VMLNNLMFYMNBHD-UHFFFAOYSA-N 195.262 0.849 30 20 ACED CC#CCOC(=O)c1cnnn1CC 815527767 PGPMCXMHCBNQHS-UHFFFAOYSA-N 193.206 0.478 30 20 ACED CCCON=Cc1cnn(C)n1 842551310 QDHBJXBZKUFNAT-UHFFFAOYSA-N 168.200 0.576 30 20 ACED CCON=Cc1ncnn1CC 848404620 MWUHURQZRSGAIG-UHFFFAOYSA-N 168.200 0.668 30 20 ACED C=CCNC(=N)NCC1CCOCC1 848991311 WCDSYCPTDVPOSG-UHFFFAOYSA-N 197.282 0.713 30 20 ACED C#C[C@@H](C)N(C)C[C@@H]1CNC(=O)C1 851990945 ZYOQEUDGPNZNGI-BDAKNGLRSA-N 180.251 0.076 30 20 ACED C#CCCCC(=O)N[C@H]1C[C@@H](CO)C1 869871877 JUXQZQXXRCRMHZ-AOOOYVTPSA-N 195.262 0.677 30 20 ACED CO[C@@H]1CCC[C@H](C(=O)NO)C1 904158511 ULVDSFRTSPEPMM-NKWVEPMBSA-N 173.212 0.697 30 20 ACED C#CCN(C(=O)[C@H](O)C=C)C(C)C 928625575 VAUMFBZNHUAHGD-SECBINFHSA-N 181.235 0.404 30 20 ACED C#C[C@H](C)NC(=O)c1cn(CC)nn1 935463780 SFZODVKCKZKNKW-ZETCQYMHSA-N 192.222 0.050 30 20 ACED CCCCCC(=O)NCCNCC#N 1123575678 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0.882 30 20 ACED CC#CCN[C@@H]1CCCC[C@H]1C(N)=O 307528757 KXPVPFUXDSOQPR-NXEZZACHSA-N 194.278 0.643 30 20 ACED CON=CC(=O)NOC/C=C/Cl 307974272 JQCUPTXCJNWELL-ILBAOELLSA-N 192.602 0.419 30 20 ACED CC(=NNC1CC1)c1ccnn1C 308167915 YFPWBLCOOWJPLI-UHFFFAOYSA-N 178.239 0.896 30 20 ACED C=C(C)CNC1(C(N)=O)CCCC1 308263327 NWISRCDAQNEOOU-UHFFFAOYSA-N 182.267 0.950 30 20 ACED CO[C@@H](C)C(C)=NNc1nnc[nH]1 308312609 SXHJVILIZHMUFW-LURJTMIESA-N 183.215 0.627 30 20 ACED C#CCCCN(CC)CCOCCO 308464302 VCSMEKULKMGFJG-UHFFFAOYSA-N 199.294 0.731 30 20 ACED CC[C@H](C#N)NC(=O)CNC(C)(C)C 308600325 OCKZPTDDDJHENF-MRVPVSSYSA-N 197.282 0.793 30 20 ACED C=CCCN1CC(=O)N[C@@H](C)C1 336296529 UQENYXKODFVNFD-QMMMGPOBSA-N 168.240 0.383 30 20 ACED CCN(CCCC#N)[C@H](C)CO 379337105 VKYNBXFLZBCJIF-SECBINFHSA-N 170.256 0.993 30 20 ACED CC(C)n1cc(CNCCC#N)nn1 389196545 AWLRKQRLGODLKY-UHFFFAOYSA-N 193.254 0.862 30 20 ACED CC(C)[C@](C)(NCCCC#N)C(N)=O 393692296 XJOPLUOBRMIJCL-JTQLQIEISA-N 197.282 0.780 30 20 ACED 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PBPDONZBAVBKKF-UHFFFAOYSA-N 145.206 0.421 30 20 ACED O=CCc1cncnc1 60710460 CTWRRKVKYFVIDX-UHFFFAOYSA-N 122.127 0.218 30 20 ACED C[C@@H](C#N)C(=O)NCc1nccn1C 70855049 DTLPUKARIQCYED-ZETCQYMHSA-N 192.222 0.196 30 20 ACED O=C(C[C@@H]1CCCCO1)NO 87419780 URZXYUQHIAPIMM-LURJTMIESA-N 159.185 0.451 30 20 ACED CC(C)(C#N)C(=O)Nc1cccnn1 124531257 GTWAJQODGIJQNE-UHFFFAOYSA-N 190.206 0.965 30 20 ACED C#CCCCNCC1(O)CCC1 131207457 GGDONTLZSLLOTM-UHFFFAOYSA-N 167.252 0.904 30 20 ACED C=CCN1CC[C@@H](C)[C@@H](O)C1 221428586 JTDXSKNXBYOSKU-BDAKNGLRSA-N 155.241 0.875 30 20 ACED C#CCCCNC(=O)N1CCOCC1 231694088 HJFZXZKJLIBGLG-UHFFFAOYSA-N 196.250 0.442 30 20 ACED N=C(N)NN=Cc1ccc(F)cc1F 252446720 AGJYDFYYJUQKHZ-UHFFFAOYSA-N 198.176 0.782 30 20 ACED C#C[C@@H](NC(=O)[C@@H](C)OC)C(C)C 300825070 BLAJHUDXGOUNEM-RKDXNWHRSA-N 183.251 0.795 30 20 ACED C=C[C@@H](C(=O)O)N(C)CCOC 301047473 PQCHPAXEKDPGEQ-ZETCQYMHSA-N 173.212 0.204 30 20 ACED N#CC1(NC(=O)[C@H]2CCOC2)CC1 306177203 OOJVLUBTEVFECA-ZETCQYMHSA-N 180.207 0.195 30 20 ACED C[C@H](O)[C@H](C)[C@@]1(C=O)CCCOC1 306236235 KRCZIZWSEOJTRZ-LPEHRKFASA-N 186.251 0.999 30 20 ACED C=C[C@H]1CCCCN1CC(N)=O 306480011 MNTBNFIIKFHEFL-QMMMGPOBSA-N 168.240 0.512 30 20 ACED C=C[C@H](C)NC(=O)c1ccncn1 306928349 XWAFOJCDWFDAMR-ZETCQYMHSA-N 177.207 0.781 30 20 ACED C#CCONC(=O)c1ccc(O)nc1 307234308 RTRAAPQWFWCVTB-UHFFFAOYSA-N 192.174 0.082 30 20 ACED C=C(C)CN(C)[C@H]1CCNC1=O 307370505 OXAWMMQBAXTRGB-QMMMGPOBSA-N 168.240 0.383 30 20 ACED C#CCNC(=O)N[C@H](C)C(F)(F)F 307623828 RCLZRXGZWMSBHF-RXMQYKEDSA-N 194.156 0.870 30 20 ACED CCO[C@@H](C)C(=O)O[C@@H](C)C#N 307995807 WEKDKLSDZRSSQZ-BQBZGAKWSA-N 171.196 0.867 30 20 ACED C[C@@H]1C[C@@]1(C#N)C(=O)N1CCOCC1 335227916 FKRLRSYVKFKAPV-SCZZXKLOSA-N 194.234 0.395 30 20 ACED C=CCOCCN(C)CCCO 378856454 KRRVSZOXMMDGIY-UHFFFAOYSA-N 173.256 0.503 30 20 ACED C#CCN(C)C(=O)COCC=C 379327245 JUPOPUSPJNZUAA-UHFFFAOYSA-N 167.208 0.281 30 20 ACED C=CCOCCN=c1[nH]ccnc1C 379487963 LQGWNHVEEUUGRU-UHFFFAOYSA-N 193.250 0.821 30 20 ACED N#CCCCNC1(C(N)=O)CCCC1 389210510 ADYOAHYWJNQUCH-UHFFFAOYSA-N 195.266 0.678 30 20 ACED C[C@H]1OCCC1=NNc1nc[nH]n1 393590467 NIUPAWWQHCCNGT-RXMQYKEDSA-N 181.199 0.381 30 20 ACED C=CCCn1cc(CCN)cn1 575623430 QNDDROFXRKOASV-UHFFFAOYSA-N 165.240 0.960 30 20 ACED Cc1cc(C#CCN)nc(C)n1 585145041 UGWDUIYOGTWHJX-UHFFFAOYSA-N 161.208 0.404 30 20 ACED CN(CCC#N)C[C@H]1C[C@@H](O)C1 599669309 CYWHLPPPPFCHPI-DTORHVGOSA-N 168.240 0.603 30 20 ACED CNCCCNC(=O)C1(C#N)CCC1 602424672 KRXOSDGWHQARMZ-UHFFFAOYSA-N 195.266 0.406 30 20 ACED CCC(C#N)(CC)C(=O)N[C@H](C)CN 602487848 VYVVMCSGQKDADN-MRVPVSSYSA-N 197.282 0.780 30 20 ACED CCC[C@@](C)(O)C(=O)N[C@H](C)CC#N 610912932 BXGPJNJHLQTFDV-PSASIEDQSA-N 198.266 0.956 30 20 ACED C[C@H](C#N)CN(C)Cc1cnnn1C 611260852 HLTRJPFNSVXZGK-MRVPVSSYSA-N 193.254 0.407 30 20 ACED C=C[C@H](O)C(=O)N1CC[C@@H]1C(C)C 613268803 BIBKYPUTYFFGJS-BDAKNGLRSA-N 183.251 0.790 30 20 ACED C=C[C@H](O)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 616241993 MBJXATFNWZLBIB-KATARQTJSA-N 195.262 0.838 30 20 ACED CC#CCNC(=O)CN(C)C1CCC1 629976911 DOPADKHMXQESGK-UHFFFAOYSA-N 194.278 0.610 30 20 ACED C=CCOCC(=O)N(C)CC#CC 647541469 XMBYHZFWMFUOQK-UHFFFAOYSA-N 181.235 0.671 30 20 ACED C=C(CC)CNC(=O)[C@@H]1COCCO1 654377106 YHHNFJOTXWWEII-VIFPVBQESA-N 199.250 0.484 30 20 ACED CCCC1(C(=O)NCC#CCO)CC1 665488871 YEOSXPQCDVENJT-UHFFFAOYSA-N 195.262 0.679 30 20 ACED C=C[C@@H](O)C(=O)N(C)[C@H](C)CC 667764326 XFIADKCENMIIDL-HTQZYQBOSA-N 171.240 0.790 30 20 ACED C#CCN(C(C)C)S(=O)(=O)CC 688846225 JTASKBPJGGHROF-UHFFFAOYSA-N 189.280 0.680 30 20 ACED C#CC(=O)N1C[C@H](C)N(CC)C[C@H]1C 765942103 SMFXWKXDRPVEMR-VHSXEESVSA-N 194.278 0.561 30 20 ACED C#CCN1C(=O)[C@@H]2CCCCN2C1=O 777552947 UWZAVIXLJOKQGK-QMMMGPOBSA-N 192.218 0.436 30 20 ACED N#CCCNC(=O)CN1CC=CCC1 778968373 ZQYXKCHTGWVERD-UHFFFAOYSA-N 193.250 0.278 30 20 ACED CC[C@H](C#N)OC(=O)C1(C(N)=O)CC1 781179774 YRHMHDNTDYQZSG-ZCFIWIBFSA-N 196.206 0.097 30 20 ACED CC(=NN[C@@H]1CCOC1)[C@H]1CCOC1 788447210 QMBMRYSKJGVBLM-VHSXEESVSA-N 198.266 0.777 30 20 ACED C#CCN(C)C/C=C\CN(C)CC#C 792306440 UDIJPCZCUYLBCS-FPLPWBNLSA-N 190.290 0.673 30 20 ACED CCONC(=O)c1cccc(C#N)n1 809987289 UQMHBYGBVIXVTL-UHFFFAOYSA-N 191.190 0.635 30 20 ACED C=C[C@@H](C)ONC(=O)NC[C@H](C)O 845626013 QGUPGTOJYCOJQX-NKWVEPMBSA-N 188.227 0.173 30 20 ACED C#CCOCCn1nc(C)ccc1=O 853017597 LUGVVILYFCPCDG-UHFFFAOYSA-N 192.218 0.202 30 20 ACED C[C@H](C#N)CNC(=N)NCC1CC1 887353862 GLYTVEHEWRKAGB-SSDOTTSWSA-N 180.255 0.670 30 20 ACED CCC#CCOC(=O)COCC 893835280 UEOIRXKDJWGTEA-UHFFFAOYSA-N 170.208 0.980 30 20 ACED C#CCSCC(=O)NC/C=C\CO 898664076 BPGWMJCPLZBSLM-ARJAWSKDSA-N 199.275 0.018 30 20 ACED C#CCNC(=O)[C@@H](C)[C@H](O)CC 899975553 LVWMJIZMWWMRAD-JGVFFNPUSA-N 169.224 0.143 30 20 ACED C=CCOCCONC(=O)N(C)C 902602135 JWCQFPSBWVLZOD-UHFFFAOYSA-N 188.227 0.392 30 20 ACED CC#CC(=O)N1CC[C@H](CF)C1 916113218 JNIBJIKGSSAHNE-MRVPVSSYSA-N 169.199 0.828 30 20 ACED N#C[C@@H]1CC[C@H](N2CC[C@H]2CO)C1 934013205 GHAXZRAAXFUGQR-UTLUCORTSA-N 180.251 0.745 30 20 ACED C#CCNCCNC(=O)c1ccoc1 1123501261 JIDSIPPRFDNNNH-UHFFFAOYSA-N 192.218 0.232 30 20 ACED C#C[C@@H](C)NC(=O)NCC=C=C 1123567444 QKQHPLKSNMTKLJ-MRVPVSSYSA-N 164.208 0.648 30 20 ACED C#CCN(CC1CC1)[C@H](C)C(N)=O 1331330448 RPUWNYDTWKZKKZ-MRVPVSSYSA-N 180.251 0.205 30 20 ACED CC(=NNCCC(=O)O)c1cc[nH]n1 1588486381 WDICTQZEYXLNOK-UHFFFAOYSA-N 196.210 0.198 30 20 ACED C[C@H](CC#N)C(=O)N1CC[C@H]1C(=O)O 1592211427 LXEXLPJSHPFOTC-RQJHMYQMSA-N 196.206 0.222 30 20 ACED C=C[C@@H](C)ONC(=O)[C@@H](C)C(=O)O 1602717741 ZQMSDWPHVBVMOS-PHDIDXHHSA-N 187.195 0.329 30 20 ACED CCN(C(=O)[C@@H](C)C#N)[C@H](C)C(=O)O 1603705379 DECBEIQCNBMBDH-NKWVEPMBSA-N 198.222 0.468 30 20 ACED C=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1 22012149 WRJRZNHDCDDIFH-PHDIDXHHSA-N 170.164 0.738 30 20 ACED CN1CCC(CNC(=O)CC#N)CC1 44526860 GBUSUPKIQIRAJP-UHFFFAOYSA-N 195.266 0.358 30 20 ACED C[C@H](C#N)CN(C)CC(=O)NC1CC1 48695478 WWQHKLLBOYAQDC-MRVPVSSYSA-N 195.266 0.356 30 20 ACED C=CCCCNC[C@H](O)COC 70592524 RHLIZVJEQZTESI-VIFPVBQESA-N 173.256 0.550 30 20 ACED COc1nc(C)cc(C#N)n1 75085049 SNVYPAUGSSTLCS-UHFFFAOYSA-N 149.153 0.665 30 20 ACED C#CCNC(=O)CN(CC)C(C)C 107832738 FDLSWFXHEGAMCW-UHFFFAOYSA-N 182.267 0.466 30 20 ACED C=CCC(=O)[C@@H]1COC[C@@H]1N 124243972 CJSRDFIFVPHABC-RQJHMYQMSA-N 155.197 0.105 30 20 ACED Cn1nncc1CS 142688645 WMHBAPFXFGRHIH-UHFFFAOYSA-N 129.188 0.245 30 20 ACED C#CCCCNC(=O)CCC(C)=O 231695135 PMHHUDYEMXLKPR-UHFFFAOYSA-N 181.235 0.885 30 20 ACED C=C[C@H](C)NC(=O)C[C@@H](CN)OC 232125337 DGHAJPXJEFHKHA-YUMQZZPRSA-N 186.255 0.041 30 20 ACED O=C(NO)[C@@H]1C[C@H]1c1cccnc1 306393963 IBHLYGWXBIAMJP-JGVFFNPUSA-N 178.191 0.691 30 20 ACED N#CCC(=O)N1C[C@@H]2CCC[C@H]21 306438184 LMFFVVCQSZGCAD-JGVFFNPUSA-N 164.208 0.911 30 20 ACED C=C[C@H](CO)Nc1ccnc(C)n1 306463423 HBUDYIUKZJVPEP-MRVPVSSYSA-N 179.223 0.744 30 20 ACED CN(CCC#N)c1ccc(C#N)nn1 306661843 SLFZGHNWSNRVCQ-UHFFFAOYSA-N 187.206 0.698 30 20 ACED C[C@@H](C#N)C(=O)N[C@H](C)c1ncon1 307096169 CSZINHRJDGMJCU-NTSWFWBYSA-N 194.194 0.406 30 20 ACED C#Cc1cnc(C(=O)OC)cn1 307121737 KCHOUBCCWGRDAD-UHFFFAOYSA-N 162.148 0.245 30 20 ACED C=C[C@@H](C(=O)O)N1CC=CCC1 307437560 SGUKMKSDLLXXQF-QMMMGPOBSA-N 167.208 0.888 30 20 ACED C[C@H](O)CN1CCC[C@@](C)(C#N)C1 307460546 HNXRDSZWEDZULM-UWVGGRQHSA-N 182.267 0.993 30 20 ACED CC(C)(CO)C(=O)OCCCC#N 308152828 PKICECCEEHOPGW-UHFFFAOYSA-N 185.223 0.852 30 20 ACED CNC(=O)[C@H](C#N)C(=O)/C=C\SC 308250018 FCWIENGOEUSROD-KGJQDRRLSA-N 198.247 0.318 30 20 ACED CC#CCN(C)CC(=O)NC1CC1 308338120 PDJMXYCEVHUCEB-UHFFFAOYSA-N 180.251 0.220 30 20 ACED C[C@H](C#N)OCCN1CCC[C@@H](O)C1 308606562 WQHKPVZNPFYPNW-NXEZZACHSA-N 198.266 0.372 30 20 ACED C=CCNC(=O)CCOCCOC 379410506 GENNGLUTNGMIPK-UHFFFAOYSA-N 187.239 0.342 30 20 ACED C#CCNC(=O)CC[C@H]1CCOC1 388303969 OSYYWDDYILVRSU-VIFPVBQESA-N 181.235 0.553 30 20 ACED C#CCONC(=O)[C@H](CC)OC 388504353 NPPCVXFOOMKDQV-ZETCQYMHSA-N 171.196 0.092 30 20 ACED C=C(C)CN[C@@]1(C(=O)OC)CCOC1 389200487 DFSBIOXZEGKUCI-JTQLQIEISA-N 199.250 0.484 30 20 ACED N#CCCOCCN1CCC[C@@H](O)C1 395506702 NMQLAUQKXRDABF-SNVBAGLBSA-N 198.266 0.373 30 20 ACED C=C[C@@H](C)ONC(=O)CCC(C)=O 400950959 XORPLUKVMGGTKZ-MRVPVSSYSA-N 185.223 0.978 30 20 ACED C[C@@](O)(C(=O)NCCCC#N)C1CC1 587999662 CGWWYRAZAFSOCZ-JTQLQIEISA-N 196.250 0.567 30 20 ACED C[C@@H](CCO)N(C)CC1(C#N)CC1 593108896 RZCZBFFOMJBTMM-VIFPVBQESA-N 182.267 0.993 30 20 ACED CCCCOCC(=O)NC1(C#N)CC1 609990421 MNHBXUPHSFRVAL-UHFFFAOYSA-N 196.250 0.975 30 20 ACED C=C[C@](C)(O)C(=O)N1CC(OCC)C1 615408886 HHEPXOHETRRWGL-JTQLQIEISA-N 199.250 0.171 30 20 ACED C=C[C@@](C)(O)C(=O)N[C@@H](C)C1CC1 615705881 VUWLVGSMHIGODW-OIBJUYFYSA-N 183.251 0.838 30 20 ACED C=CCCNC(=O)[C@H]1CCN(C)C1=O 617617867 YPYHKDOWOGQGCL-MRVPVSSYSA-N 196.250 0.157 30 20 ACED C=CCCCCN1C[C@H](O)[C@H](O)C1 649336920 MKKXTRSEUITZQW-AOOOYVTPSA-N 185.267 0.380 30 20 ACED C=C[C@H](O)C(=O)NCCc1ccco1 665395314 HEZUMJHREHYWIN-VIFPVBQESA-N 195.218 0.485 30 20 ACED C=C[C@@](C)(O)C(=O)Nc1cn[nH]c1 666324530 KNBYRYNSIMAVEG-MRVPVSSYSA-N 181.195 0.285 30 20 ACED CC#CCNC(=O)NCC[C@H](C)OC 677810820 XLUKECFQPRUCRG-VIFPVBQESA-N 198.266 0.734 30 20 ACED C#C[C@@H](C)NS(=O)(=O)C1(C)CC1 696314835 WSUFDMPXBWUSDZ-SSDOTTSWSA-N 187.264 0.480 30 20 ACED N#CCCNC(=O)[C@H]1C[C@@]12CCOC2 787621330 ZVGDVTDADIUULR-PSASIEDQSA-N 194.234 0.443 30 20 ACED C=CCCO[C@H](C)C(=O)NCCC#N 787627909 YXLNIZNABJZNFU-SECBINFHSA-N 196.250 0.997 30 20 ACED C#CC[C@@H](CO)NC(=O)/C(=C/C)CC 816669912 GQGRHTIPUXCGJJ-CYNRKNSPSA-N 195.262 0.843 30 20 ACED C#CCNC(=O)NCc1cnc(C)o1 820209633 YTZZYYKXCFMTHN-UHFFFAOYSA-N 193.206 0.415 30 20 ACED C=CCNCc1nn(CC)nc1C 824242393 NMVMKQKYUZXHNB-UHFFFAOYSA-N 180.255 0.882 30 20 ACED C=C[C@@H](C)NC(=O)[C@@H]1CC(C)=NO1 829983122 YDYVIVQOBONQMB-SVRRBLITSA-N 182.223 0.842 30 20 ACED CCCNN=Cc1c(C)nnn1CC 834941827 UFJBTXPZZUDCKA-UHFFFAOYSA-N 195.270 0.940 30 20 ACED C#C[C@H](C)N(C)CCc1cn[nH]c1 838972607 XWNQXLDMBIIJSB-VIFPVBQESA-N 177.251 0.906 30 20 ACED C#CCN(C)CCCNC(=S)NC 840759060 TVGYAANVCHRVDV-UHFFFAOYSA-N 199.323 0.035 30 20 ACED N#CCOC(=O)c1cnn(C2CC2)c1 859887694 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0.162 30 20 ACED C=C[C@H](CO)NCCCF 662167230 VQWPMBVKOZNVNM-SSDOTTSWSA-N 147.193 0.483 30 20 ACED C=CCCN(C)C(=O)CN(C)C(C)=O 682428662 JJIRJRSVFGOJNR-UHFFFAOYSA-N 198.266 0.499 30 20 ACED C#C[C@@](C)(CC)NC[C@H]1COCCO1 690899826 MIJQQRVOHBZKBG-QWRGUYRKSA-N 197.278 0.793 30 20 ACED C[C@H](C#N)C(=O)N1[C@H]2CC[C@H]1COC2 695045942 SCNPNVGFIDDDAD-VGMNWLOBSA-N 194.234 0.536 30 20 ACED C#CCC[C@@H](O)CNC(=O)[C@@H](C)CC 717955168 UQWSOXBLLGINRT-VHSXEESVSA-N 197.278 0.923 30 20 ACED C[C@@H]1CNC[C@H]1Cn1ccnc1C#N 721063357 LDVZHHJWOAENAT-BDAKNGLRSA-N 190.250 0.610 30 20 ACED CN1C(=O)CN(N=C2CCCC2)C1=O 768380994 YJJUTEQPFQBVTN-UHFFFAOYSA-N 195.222 0.810 30 20 ACED C#CCCN1CCC[C@@]12CCOC2=O 778247473 XAHBVJZVCNFYSY-NSHDSACASA-N 193.246 0.791 30 20 ACED C#CCNC(=O)[C@](C)(C=C)CCOC 783513954 KIFOZOMZMRRWBV-LLVKDONJSA-N 195.262 0.965 30 20 ACED CC(C)[C@@H](CO)NC(=O)NCCC#N 787358919 ROSRGMZJIHVPCI-MRVPVSSYSA-N 199.254 0.216 30 20 ACED C#C[C@@H](C)NC(=O)N[C@@H](C#C)C(C)C 798545976 LIEVGEGNWPROSA-ZJUUUORDSA-N 192.262 0.965 30 20 ACED C#CCCNC(=O)c1cccc(C#N)n1 810402485 JNXFVXYWPPUHDV-UHFFFAOYSA-N 199.213 0.706 30 20 ACED C#CCCNC(=O)[C@@H](CCC)OC 823326828 ONQLEPIEDGZALY-SECBINFHSA-N 183.251 0.941 30 20 ACED CC#CCCNC(=O)N[C@@H]1CC[C@H]1O 824506753 ZNXMFDJOCREUSG-RKDXNWHRSA-N 196.250 0.222 30 20 ACED CCC[C@@H](C=Nn1ccnn1)OC 835010871 IMAVRASKMKOLMQ-QMMMGPOBSA-N 182.227 0.927 30 20 ACED CN(C(=O)C#CC1CC1)c1cn[nH]c1 837448365 XHUXAEGTGLVHLX-UHFFFAOYSA-N 189.218 0.786 30 20 ACED C=CCCC(=O)OC[C@@H]1CCC(=O)N1 845114675 UMRGJZHEDZQMSS-QMMMGPOBSA-N 197.234 0.774 30 20 ACED C=C(C)CONC(=O)[C@@H]1CCN(C)C1 846534170 VJAVITSGGKTPTM-SECBINFHSA-N 198.266 0.562 30 20 ACED C=C[C@H](C)ONC(=O)C[C@@](C)(O)C=C 846555656 UHPHOLRDQIQVHP-WPRPVWTQSA-N 199.250 0.936 30 20 ACED C=CCCNC(=O)CC1(O)CCC1 855380634 FIHOIGFYOARXBL-UHFFFAOYSA-N 183.251 0.984 30 20 ACED C[C@@H]1COCC1=Nn1cnnc1 884369736 OAYAXBWKSDDOEC-ZCFIWIBFSA-N 166.184 0.149 30 20 ACED C#CCCCN[C@H](C)COC(C)=O 893091251 CHYMHSXXZHYHLG-SECBINFHSA-N 183.251 0.941 30 20 ACED CC#CCN(C)C(=O)O[C@H]1CCOC1 915930101 RPXHJAQCRNFFND-VIFPVBQESA-N 197.234 0.867 30 20 ACED C=CCC[C@@H](O)CN(CC)CCN 923401670 PDKKECVAPZPBMB-SNVBAGLBSA-N 186.299 0.594 30 20 ACED C#CC1(O)CN(C[C@@H]2CC[C@@H](C)O2)C1 934447418 CFWPHPSKANHWLR-ZJUUUORDSA-N 195.262 0.234 30 20 ACED C=CCN1C[C@H]2[C@H](NC(=O)CC)[C@H]2C1 957968278 ZYFWKVJSOXMXQR-JZYVYDRUSA-N 194.278 0.629 30 20 ACED C=CCN[C@@H]1CCN(C(C)=O)[C@H]1C 985833337 QSTMLEBMGSQFLL-WCBMZHEXSA-N 182.267 0.771 30 20 ACED COCC#CC(=O)N1CC[C@H](C)[C@H]1C 1118716086 IHTAFPWZGLWSEJ-VHSXEESVSA-N 195.262 0.893 30 20 ACED N#C[C@@H]1CC[C@@H](NC[C@@H]2COCO2)C1 1262372247 LUBVFLNUGPCOSR-OPRDCNLKSA-N 196.250 0.641 30 20 ACED CC[C@@H](CC#N)NCc1nc[nH]n1 1328414207 VJAYDAXMWVJHBS-ZETCQYMHSA-N 179.227 0.587 30 20 ACED COCC#CC(=O)N(C)CC1CC1 1347323397 QJGSAJABAFUMAZ-UHFFFAOYSA-N 181.235 0.505 30 20 ACED C[C@H](CC#N)NC(=O)[C@H]1C[C@H]1F 1351101693 RPRRTLBATMBBOM-DSYKOEDSSA-N 170.187 0.763 30 20 ACED O=C(NO)[C@H]1CCOC2(CCC2)C1 1353604760 FCGDMADBFJVMDJ-ZETCQYMHSA-N 185.223 0.841 30 20 ACED CC(C)(C#N)C(=O)NC(CF)CF 1534044429 KERASCZLZLLSRD-UHFFFAOYSA-N 190.193 0.960 30 20 ACED N#CCCN[C@H]1CCC[C@H]1C(=O)O 1601068407 XZEHSWBNLINHBK-SFYZADRCSA-N 182.223 0.743 30 20 ACED C=C[C@@H](C(=O)O)n1cc(COC)nn1 1602806172 UFKJSOJLIBOKAD-ZETCQYMHSA-N 197.194 0.236 30 20 ACED C=C(CO)CN1CC[C@H](C)[C@H]1C(=O)O 1776142024 MAJPCEAPDRRNSY-IUCAKERBSA-N 199.250 0.330 30 20 ACED C#CC(=O)N[C@H](CC(C)C)C(=O)O 19509307 HLYPJVAHJGIYLC-SSDOTTSWSA-N 183.207 0.235 30 20 ACED N#CCCNCc1ccc(C(=O)O)o1 70946567 WIPAGUAVKIGSGY-UHFFFAOYSA-N 194.190 0.981 30 20 ACED N#C[C@@H]1CN(c2ncccn2)CCO1 82473581 BFVDTWZMPICFAM-MRVPVSSYSA-N 190.206 0.205 30 20 ACED C[C@@H](CC#N)N(C)C(=O)CC(C)(C)N 82772605 DWGJYNFGSPKZOI-QMMMGPOBSA-N 197.282 0.874 30 20 ACED C#CC(=O)[C@H](C)C1CNC1 135350103 LFIHJNDUVARXHB-ZCFIWIBFSA-N 137.182 0.044 30 20 ACED C#CCCCN1CCCC[C@@H]1C(N)=O 161089105 MHHFJUSDIKSVSS-SNVBAGLBSA-N 194.278 0.740 30 20 ACED C#CCCCNC(=O)N[C@H]1CCOC1 228737790 MIYJVROJNSDBGZ-VIFPVBQESA-N 196.250 0.488 30 20 ACED C#C[C@@H](CCC)NC[C@H](C)O 229972079 JNYQDZOGOOCCPM-IUCAKERBSA-N 155.241 0.759 30 20 ACED C=CC[C@H](F)CO 238700535 BPOHLZDPTSGEKJ-YFKPBYRVSA-N 104.124 0.893 30 20 ACED CN(C)[C@H]1CCCN(CC#N)CC1 261125620 IPKZDOQKFOYZAF-JTQLQIEISA-N 181.283 0.926 30 20 ACED C=C[C@@H](NCc1cccnn1)C(=O)O 301047364 PKQICOXQRXNDAZ-MRVPVSSYSA-N 193.206 0.205 30 20 ACED C[C@@H](C#N)NC(=O)C(C)(C)F 306318916 VIOFCNWAOOBYSP-YFKPBYRVSA-N 158.176 0.763 30 20 ACED C[C@H](Nc1cc(C#N)cnn1)C(=O)O 306745203 ZTDXOPYVFWGYML-YFKPBYRVSA-N 192.178 0.233 30 20 ACED C=CCn1cccc1C(N)=O 307005669 DSIBOPUWWFURRW-UHFFFAOYSA-N 150.181 0.773 30 20 ACED C#CCN(CC1OCCO1)C1CC1 307642474 JVABGLJEHWZFKK-UHFFFAOYSA-N 181.235 0.457 30 20 ACED NC(=O)CON=C[C@H]1CCSC1 308095699 YELJFQQZLMVZOO-ZCFIWIBFSA-N 188.252 0.227 30 20 ACED C#CCCS(=O)(=O)N(C)CC=C 308143052 IKYGOSJKWUECPW-UHFFFAOYSA-N 187.264 0.457 30 20 ACED C=C(Cl)C/N=C(/N)NCCOC 308426929 XNQTXIGKYAMKCC-UHFFFAOYSA-N 191.662 0.290 30 20 ACED COC(=O)[C@H]1CCC[C@@H]1NCC#N 308503614 YDNBEKRHCFHUCW-YUMQZZPRSA-N 182.223 0.441 30 20 ACED C=C(C)CNC(=O)NCCOCC 379356175 NGGJNAVLRRTICF-UHFFFAOYSA-N 186.255 0.898 30 20 ACED CC[C@@H](COC)NC(=O)C=NOC 379386388 XOLYRTUXVITCCL-ZETCQYMHSA-N 188.227 0.160 30 20 ACED C=CCCO[C@H](C)C(=O)N(C)OC 379411875 JAUNHAOLPYIFKI-MRVPVSSYSA-N 187.239 0.987 30 20 ACED C#CCNC(=O)CC[C@@H]1CCOC1 388303962 OSYYWDDYILVRSU-SECBINFHSA-N 181.235 0.553 30 20 ACED C=C[C@H](CO)NCc1cn(C)nc1C 388882981 JMECCPQBAGFYEM-SNVBAGLBSA-N 195.266 0.365 30 20 ACED Cn1nc(-c2cnccn2)cc1C#N 409443110 HDTYWYFRTHVYJU-UHFFFAOYSA-N 185.190 0.749 30 20 ACED C=CCN(CCC#N)C(=O)CCOC 590040155 QMXSSOBFHAUDNO-UHFFFAOYSA-N 196.250 0.951 30 20 ACED N#Cc1cnccc1N1CC(C#N)C1 590085113 UXXSNXPGRPLGOE-UHFFFAOYSA-N 184.202 0.913 30 20 ACED N#CC1CN(C(=O)c2ccc[nH]2)C1 590480816 BAQAIJDGXQBCMB-UHFFFAOYSA-N 175.191 0.610 30 20 ACED CCOCCN1CC[C@@](O)(CC#N)C1 592147269 MVMIGJUHFCSUFO-JTQLQIEISA-N 198.266 0.373 30 20 ACED CC[C@@H](C#N)C(=O)N[C@@H](C)CC#N 593435969 AAIMZYUHMLCDBM-YUMQZZPRSA-N 179.223 0.955 30 20 ACED C#CC(=O)N1CCC(C#C)CC1 606247977 RYRVUQAOXFWIBI-UHFFFAOYSA-N 161.204 0.491 30 20 ACED COC(=O)[C@]1(C)CCN(CCC#N)C1 610738736 USWSAHABCRTICV-SNVBAGLBSA-N 196.250 0.785 30 20 ACED C=C[C@@H](O)C(=O)NCc1ccsc1 646676605 WYGMKJVJMMKEAL-MRVPVSSYSA-N 197.259 0.911 30 20 ACED CC#CCN(C)C(=O)CN(CC)CC 647542235 PZNLICUJGVYMQY-UHFFFAOYSA-N 196.294 0.810 30 20 ACED C=C(CC)Cn1cc(CCO)nn1 656452594 KDDHTTRKJVVBAX-UHFFFAOYSA-N 181.239 0.779 30 20 ACED C=C[C@H](CO)NC(=O)NCC1CCC1 660333749 PTCWYHFSGDHJGW-SECBINFHSA-N 198.266 0.633 30 20 ACED C#CCC[C@H](O)CN[C@@H]1CCCNC1 717916962 BUMYHRHIDJTBCK-MNOVXSKESA-N 196.294 0.102 30 20 ACED Cc1nnc(NN=CC(C)C)nc1O 755524125 LFRUOLMOZPFSNE-UHFFFAOYSA-N 195.226 0.939 30 20 ACED C[C@@H](C#N)CNN=Cc1cncn1C 755802236 LROSRNULQXNILZ-QMMMGPOBSA-N 191.238 0.503 30 20 ACED C#CCN(C)C(=O)c1ccc(C#C)cn1 790958732 MSVMHYWSFWZING-UHFFFAOYSA-N 198.225 0.768 30 20 ACED COCCOC(=O)c1ccc(C#N)o1 796126674 CZFHSGUMQZOLPH-UHFFFAOYSA-N 195.174 0.954 30 20 ACED CC[C@H](O)CNN=Cc1cnn(C)c1 811656910 YZQCWTXBJUYIMA-VIFPVBQESA-N 196.254 0.115 30 20 ACED COC[C@H](C)NN=C(C)c1cc[nH]n1 814895662 QUZOOORPNWBTBS-ZETCQYMHSA-N 196.254 0.758 30 20 ACED C#CCN1CCN(CC#C)CC(C)C1 832317500 KCEBMGQQLQUYFX-UHFFFAOYSA-N 190.290 0.507 30 20 ACED C#CCONC(=O)COC(C)(C)CC 839774224 MPDRTEZDNJMCRA-UHFFFAOYSA-N 199.250 0.873 30 20 ACED CCOC(=O)[C@H](CC)C(=O)OCC#N 840688809 YZGQQKPTAOEINT-ZETCQYMHSA-N 199.206 0.642 30 20 ACED C#CCOCCN(CC)C[C@H](C)OC 852073460 SIMCJGCRNHJCBK-NSHDSACASA-N 199.294 0.993 30 20 ACED C=CCN(C)C(=O)[C@H]1CCOC(=O)N1 860976013 CUJACYFCPIJINM-SSDOTTSWSA-N 198.222 0.129 30 20 ACED C#C[C@H](NCC(C)=O)[C@@H]1CCCO1 878453573 MKCVNAIQELSPHK-UWVGGRQHSA-N 181.235 0.346 30 20 ACED C=C[C@@H]1OCC[C@H]1C(=O)NO 904158268 RNFDMBYNTOECEW-RITPCOANSA-N 157.169 0.083 30 20 ACED C#CCOC(=O)[C@@H](NC(C)=O)C(C)C 916612406 CANUQEONTZNILO-VIFPVBQESA-N 197.234 0.324 30 20 ACED CCN(C[C@@H](C)C#N)C(=O)[C@H]1C[C@H]1N 1577668813 OOAVDYPEZIVIHS-XHNCKOQMSA-N 195.266 0.342 30 20 ACED CC[C@](C)(C#N)C(=O)O[C@@H](C)C(=O)O 1589446517 BTPWFAVMPGHVGN-IMTBSYHQSA-N 199.206 0.943 30 20 ACED CC[C@@H]1C[C@H]1CN(CC#N)CC(=O)O 1597299737 JHFDMCAFQBHHIL-BDAKNGLRSA-N 196.250 0.943 30 20 ACED C#CC[C@@H](NCCCC)C(=O)O 1602694534 NWCFMWPEDWTBNH-MRVPVSSYSA-N 169.224 0.853 30 20 ACED C#Cc1nc2ccsc2c(=O)n1C 1898236442 WWIRALHRNXCKNN-UHFFFAOYSA-N 190.227 0.976 30 20 ACED OCCC#Cc1cncnc1 38881661 CGVIOMLRJPPRKB-UHFFFAOYSA-N 148.165 0.211 30 20 ACED CCN(CCC#N)C[C@@H](C)O 42451036 IZDXHXMMHOKMJJ-MRVPVSSYSA-N 156.229 0.603 30 20 ACED C#CCNC(=O)[C@@H](C#N)CC 44812612 LBBUIQAJLYAVLC-SSDOTTSWSA-N 150.181 0.286 30 20 ACED C[C@@H](C#N)C(=O)NC[C@H]1CCCCO1 44827648 GSFNNVFQGPGPLN-DTWKUNHWSA-N 196.250 0.831 30 20 ACED N#C[C@H]1CCCN(CCCO)C1 70663244 YGUWFXCXJFZTGW-SECBINFHSA-N 168.240 0.604 30 20 ACED CC[C@@H](CC#N)N[C@H](C)C(=O)O 85231303 JKYVTCWQCKVUTP-RQJHMYQMSA-N 170.212 0.741 30 20 ACED C[C@@H]1CCC[C@](CN)([C@H](O)C=O)C1 85925155 BHZXNEDZQITCGH-BBBLOLIVSA-N 185.267 0.701 30 20 ACED C#CCCN1C[C@H](CO)OC[C@H]1C 88094050 MORPYGRLHVZSIE-NXEZZACHSA-N 183.251 0.091 30 20 ACED C[C@@H](CN)Nc1cnccc1C#N 135803962 SMQCJSVFLZMXFY-ZETCQYMHSA-N 176.223 0.712 30 20 ACED N#CCCNC(=O)c1cncc(F)c1 160132016 FRPNBAJOKUXTGY-UHFFFAOYSA-N 193.181 0.864 30 20 ACED C=CCCNC(=O)[C@@H](C)NC(C)=O 168921017 BRDKKFXVDYCWFM-SSDOTTSWSA-N 184.239 0.203 30 20 ACED C=CCn1cc(CCN)cn1 219212176 KPZGGGINZDVFMB-UHFFFAOYSA-N 151.213 0.570 30 20 ACED C=CCNC(=O)COCCC 222216369 ZVNVTLVUOBQISE-UHFFFAOYSA-N 157.213 0.715 30 20 ACED CN(CC#N)C(=O)c1cccnc1F 229979930 IWJNKTDGGRCMHO-UHFFFAOYSA-N 193.181 0.816 30 20 ACED Cc1cc(N)nn1CC#N 300743933 KBEQZUWLJNUSTC-UHFFFAOYSA-N 136.158 0.297 30 20 ACED C=CCCN1CCS(=O)CC1 306341147 LOHPTMSHSGMUKP-UHFFFAOYSA-N 173.281 0.627 30 20 ACED CC(C)(C)C(=O)N[C@@H]1CNC[C@@H]1C#N 306403171 RUCRWOHYKMJBQD-JGVFFNPUSA-N 195.266 0.260 30 20 ACED C#C[C@@H](C)N(C)C(=S)NC1CC1 307323598 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HPROMCVGCMYBDU-UHFFFAOYSA-N 185.223 0.790 30 20 ACED C[C@@H](O)C#Cc1ncnc2[nH]cnc12 585144722 ZXZBXFPAMPDJAX-ZCFIWIBFSA-N 188.190 0.085 30 20 ACED Cc1cncc(C#CC(C)(C)O)n1 585144910 MZCNVTYFQLNGMI-UHFFFAOYSA-N 176.219 0.907 30 20 ACED C[C@@H](CO)NC(=O)CCCCCC#N 588280670 OHRDYKXHGQKAPY-VIFPVBQESA-N 198.266 0.957 30 20 ACED C[C@H](C#N)N(C(=O)CC#N)C1CC1 598133321 PJYLGIQZQCFQLV-SSDOTTSWSA-N 177.207 0.803 30 20 ACED CCCNC(=O)CN(CC#N)C1CC1 604490129 KXUSBMDVOVLISM-UHFFFAOYSA-N 195.266 0.501 30 20 ACED CO[C@H]1CCC[C@@H]1CNC(=O)CC#N 614014605 UNQQFEWJTXNMMV-BDAKNGLRSA-N 196.250 0.831 30 20 ACED C=C[C@@](C)(O)C(=O)NCC(C)(F)F 615357003 PILDWRLRJYCYKI-SSDOTTSWSA-N 193.193 0.695 30 20 ACED C=CCCNC(=O)c1cnnn1C 617618568 UVWUUMXSGIVIGQ-UHFFFAOYSA-N 180.211 0.121 30 20 ACED CC[C@@H](C#N)NC(=O)[C@@H](OC)C1CC1 619306114 VPNROUKSSNEXJH-IUCAKERBSA-N 196.250 0.830 30 20 ACED C=C[C@](C)(O)C(=O)Nc1cc(C)[nH]n1 621622758 LXABMAIQCPIJFV-VIFPVBQESA-N 195.222 0.594 30 20 ACED Cc1nc(C(=O)N(C)CCC#N)no1 700880424 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30 20 ACED CC[C@@H](C#N)C(=O)NCCCN(C)C 44811472 KQPVCKNGLSQTCY-VIFPVBQESA-N 197.282 0.604 30 20 ACED CC#Cc1ccnc(N)n1 51971757 XGBBFEHIMUSOGJ-UHFFFAOYSA-N 133.154 0.430 30 20 ACED CC1(C(=O)O)CCN(CC#N)CC1 62844394 ZYIFNLIXUULCFM-UHFFFAOYSA-N 182.223 0.697 30 20 ACED C=CCCN(C)CCN1CCNCC1 70593308 XCBGALCOZKZMBM-UHFFFAOYSA-N 197.326 0.400 30 20 ACED COCC(C)(C)/C(N)=N/O 88320193 KFRHKFVTCUJEJW-UHFFFAOYSA-N 146.190 0.405 30 20 ACED C#CCN(C)C(=O)c1cc(C)on1 130718089 IITDIYINXMCLTQ-UHFFFAOYSA-N 178.191 0.688 30 20 ACED CC(=O)OCCOCCC#N 140520883 GLGQBVVCMWXJHW-UHFFFAOYSA-N 157.169 0.480 30 20 ACED COCCC(=O)NCC(C)(C)C#N 163785686 DJFHXQLTQVCNTK-UHFFFAOYSA-N 184.239 0.689 30 20 ACED C=C(C)CNC(=O)[C@H]1CCC(=O)NC1 167669546 CVIGNTGFIMPZBJ-QMMMGPOBSA-N 196.250 0.205 30 20 ACED C=CCCNC(=O)C(C)(C)CN 168820723 GCCZRBIDYNSPPL-UHFFFAOYSA-N 170.256 0.664 30 20 ACED C=CCCOCCNC(N)=O 229859291 QWJUCKPFUVJDJL-UHFFFAOYSA-N 158.201 0.247 30 20 ACED C#C[C@@H](CC)N[C@H](C)C(=O)O 229876281 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ACED C=CC[C@H](C)NC(=O)C[C@@H]1CC(=O)N1 668854872 OUIVDOUAKJIABL-JGVFFNPUSA-N 196.250 0.346 30 20 ACED C=CCC[C@H](O)CN(C)C1(CO)CC1 671727538 AITHIVCSNHOTOX-JTQLQIEISA-N 199.294 0.770 30 20 ACED CC#CCNC(=O)C[C@](C)(O)C1CC1 677839733 BIRSZSZVSXKMIQ-NSHDSACASA-N 195.262 0.677 30 20 ACED C=CCNC(=O)Cc1cnn(CC)c1 681945115 JGOYTEASXNLYIT-UHFFFAOYSA-N 193.250 0.748 30 20 ACED C#CCCCCC(=O)N1CCOC1 692879480 RESIFPRRXKQAJT-UHFFFAOYSA-N 181.235 0.996 30 20 ACED C#CCCOC(=O)[C@H]1CCC(=O)NC1 727041990 QJRMHDJUYUSYBR-QMMMGPOBSA-N 195.218 0.079 30 20 ACED C[C@@H](CO)NN=Cc1cccc(O)c1 749820252 CDZQXQPABDLISX-QMMMGPOBSA-N 194.234 0.697 30 20 ACED C#CC(=O)N[C@H](CC)CN1CCCC1 754042221 ZWVGGGCVDOTVAX-SNVBAGLBSA-N 194.278 0.610 30 20 ACED CC#CC(=O)NCCCn1ccnc1 763899009 NLOPPNDOKOJSGM-UHFFFAOYSA-N 191.234 0.413 30 20 ACED C[C@H](C#N)OC(=O)c1ccc(C#N)[nH]1 786086113 AUCHCMIDSXWVGL-ZCFIWIBFSA-N 189.174 0.955 30 20 ACED N#CCOC(=O)CCc1cncnc1 796183234 UPSMWKBTMVSABK-UHFFFAOYSA-N 191.190 0.476 30 20 ACED C=CCCC(=O)N[C@]1(C)CCOC1=O 813295538 XTBDIIDJURBRNW-SNVBAGLBSA-N 197.234 0.774 30 20 ACED C[C@H]1CC(=NNCCO)CN1C1CC1 814942893 YEIMAFRHIDZVJF-QMMMGPOBSA-N 197.282 0.181 30 20 ACED C[C@@H](O)CNN=C1CCN2CCC[C@H]12 814966605 WCNVJNHTPAVREO-PSASIEDQSA-N 197.282 0.181 30 20 ACED C=CCOC(=O)c1cc(C(=O)O)no1 833375692 IRURJXRZKJXLTO-UHFFFAOYSA-N 197.146 0.716 30 20 ACED C#CCN(C(=O)/C=C\COC)C1CC1 836805941 KMOVPSCDMMOORQ-PLNGDYQASA-N 193.246 0.813 30 20 ACED C#CC(=O)N(C)[C@H](CO)CC(C)(C)C 836970809 UMUYRUZSEBLHSC-VIFPVBQESA-N 197.278 0.875 30 20 ACED C[C@H](CO)COC(=O)C#CC1CC1 838366984 YHMGVWMRCZRAEZ-MRVPVSSYSA-N 182.219 0.571 30 20 ACED C#C[C@H](C)N(C)CC[C@@H]1CCNC1=O 846878600 IIOKOFJOZUUYJE-UWVGGRQHSA-N 194.278 0.466 30 20 ACED C=CCCONC(=O)[C@H](C)N(C)C 856032645 PDMMSFSEQMOKDX-QMMMGPOBSA-N 186.255 0.560 30 20 ACED C#CCN1NC(=O)C[C@](C)(CC)C1=O 871960951 KJAPEZIQJZKECW-JTQLQIEISA-N 194.234 0.299 30 20 ACED CCOC(=O)[C@@H]1C=CC(=O)C1 888109030 BCDPFZNKMFTMNA-ZCFIWIBFSA-N 154.165 0.695 30 20 ACED C#CC[C@H](CO)NC(=O)NCCC=C 923222431 KULMXJNTLHXDDP-SECBINFHSA-N 196.250 0.246 30 20 ACED C#CCOC(=O)COC(F)(F)F 923710340 JZJRDGOVSDUHSJ-UHFFFAOYSA-N 182.097 0.699 30 20 ACED CCN(C[C@@H](C)C#N)C[C@H](O)CC#N 929429794 RBWLDDZFILOPLD-VHSXEESVSA-N 195.266 0.743 30 20 ACED N#C[C@H]1CCCN(CC2OCCO2)C1 932151018 AQXWNMXYOAKUAD-SECBINFHSA-N 196.250 0.595 30 20 ACED C#CCN(CCCC(=O)NC)C(C)C 932388024 RCPPDINKHRKWTA-UHFFFAOYSA-N 196.294 0.856 30 20 ACED CC#CC(=O)N[C@H]1CN2CCC1CC2 1353789460 OINNFGLZMSZIOW-JTQLQIEISA-N 192.262 0.220 30 20 ACED COCC[C@@H](C)CNC(=O)[C@H](C)C#N 1451505761 MRMTZMIJJOANLS-RKDXNWHRSA-N 198.266 0.935 30 20 ACED C=C(C)[C@@H](CO)N1C[C@@H](N)[C@H](C)C1 1574830211 DJWVISXGWYRRLR-OPRDCNLKSA-N 184.283 0.202 30 20 ACED N#CCCn1cc(C=O)cn1 35322854 JKAVMKREHIBQFA-UHFFFAOYSA-N 149.153 0.609 30 20 ACED in-vitro CC(C)N(CCCC#N)CC(N)=O 48776819 FYGMPTNZKAAHBR-UHFFFAOYSA-N 183.255 0.486 30 20 ACED CCN(CCC(=O)NC)C[C@@H](C)C#N 49572980 AKVQQVUZTUVMKV-VIFPVBQESA-N 197.282 0.604 30 20 ACED CCS(=O)(=O)N(CC#N)C1CC1 58520711 KJMRTHNASPGUQY-UHFFFAOYSA-N 188.252 0.324 30 20 ACED C#CCNc1cccc(C#N)n1 81596008 JCNRRMWRDRHTNF-UHFFFAOYSA-N 157.176 0.998 30 20 ACED CN(CCC#N)C[C@@H](O)C(F)(F)F 82680011 HSQYHFGOHDXBMB-ZCFIWIBFSA-N 196.172 0.755 30 20 ACED COC[C@H](C)N1CCO[C@H](C#N)C1 85696979 FLDITQQQSQPFEL-DTWKUNHWSA-N 184.239 0.246 30 20 ACED O/N=C1\CCN2CCC[C@H]12 100575409 OMGXBVANAPFLSZ-UQBZRGDZSA-N 140.186 0.685 30 20 ACED C=CCN(C(=O)[C@H](CN)OC)C1CC1 227396935 QEIVWRRIDIKPRN-VIFPVBQESA-N 198.266 0.137 30 20 ACED C[C@H](NC(=O)[C@H](C)C#N)[C@H]1CCOC1 253203682 ZRGMXUMNPXWOJK-VGMNWLOBSA-N 196.250 0.687 30 20 ACED C[C@H](CC#N)NC(=O)[C@H]1CO[C@H](C)C1 253362282 GEBOUBJHEVWTLZ-IWSPIJDZSA-N 196.250 0.830 30 20 ACED CN(CC#N)C(=O)C[C@@H]1CCCOC1 260233989 WVJZIPZMZTZLDI-VIFPVBQESA-N 196.250 0.785 30 20 ACED C#CCCCN[C@@H](C=C)C(=O)OC 301049735 RUPRESDRLBSQNL-VIFPVBQESA-N 181.235 0.717 30 20 ACED C#CCN1CCC[C@@]1(C)C(=O)OC 306501607 ROHIGHBXNCSUOP-JTQLQIEISA-N 181.235 0.647 30 20 ACED C#CCN1C[C@H](C)[S@@](=O)[C@H](C)C1 306514567 UUBKLRYHELBXGC-GDGBQDQQSA-N 185.292 0.461 30 20 ACED C[C@@H]1CN(C(=O)CC#N)CCC1=O 306519975 JSWYNGNFFWUGRQ-SSDOTTSWSA-N 180.207 0.338 30 20 ACED COCc1cccc(C(=O)NO)c1 306646843 BBIZECSXDIQVEM-UHFFFAOYSA-N 181.191 0.952 30 20 ACED N#C[C@H]1CC[C@H](N2CC[C@H](O)C2)C1 307145291 MPDLRWYVPFGASY-GUBZILKMSA-N 180.251 0.745 30 20 ACED CC[C@@H](CO)Nc1ccnc(C#N)n1 307373427 WOUWFEQRZPCPLE-ZETCQYMHSA-N 192.222 0.531 30 20 ACED CC(C)(C#N)CNC(=O)CC#N 307681092 PLWNYPULORCHRB-UHFFFAOYSA-N 165.196 0.566 30 20 ACED Cc1cc[nH]c1C(=O)NCC#N 307754117 YIGUBOFVPZMUPH-UHFFFAOYSA-N 163.180 0.577 30 20 ACED C#CCCN(C)[C@H](C)C(=O)OC 307999964 YVFUYAOARQVNRW-MRVPVSSYSA-N 169.224 0.503 30 20 ACED COCCCC(C)=NNC(=N)N 308073448 BRSVICOCMNHTIK-UHFFFAOYSA-N 172.232 0.272 30 20 ACED Cc1nonc1CN[C@H](C)CC#N 308276638 VJXUTDFVMDLMGR-ZCFIWIBFSA-N 180.211 0.770 30 20 ACED CC(=NNCC(=O)O)C1CCC1 378739629 IHKCLAWPGDSILK-UHFFFAOYSA-N 170.212 0.837 30 20 ACED C=CCOC(=O)c1ncn(C)n1 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CC[C@@H](C)NN=Cc1cnnn1C 379416440 RTDHMXGEROAXDG-SSDOTTSWSA-N 181.243 0.537 30 20 ACED C#C[C@@](C)(CC)NCCC(=O)NCC 384194352 XGBPKNZPLJOALD-NSHDSACASA-N 196.294 0.904 30 20 ACED C/N=C(/NC)NCC1(CCOC)CC1 386533358 BAPYGTBQWRQOPM-UHFFFAOYSA-N 199.298 0.598 30 20 ACED C#CCN(CC)CC(=O)N1CCC1 388634503 MFTYTPIVSVVYOI-UHFFFAOYSA-N 180.251 0.174 30 20 ACED C[C@H](C#N)OCCN1CCC(O)CC1 388758448 ZGPXXKRUIGZQSB-SECBINFHSA-N 198.266 0.372 30 20 ACED N#CCC(=O)NCC12CC(CO1)C2 527532313 MMSYKFDDFUWSRD-UHFFFAOYSA-N 180.207 0.195 30 20 ACED CC(C)(C#N)C(=O)N1CCOC1 597721285 OPDHTPAEYHHWSL-UHFFFAOYSA-N 168.196 0.352 30 20 ACED COC1CC(C(=O)N(C)[C@@H](C)C#N)C1 602342070 XWAXAIVEYKWVMT-UEJVZZJDSA-N 196.250 0.782 30 20 ACED C#CC(=O)N1C[C@H](C)[C@](C)(CO)C1 606256593 ZWIVHLJMQXXHGP-WPRPVWTQSA-N 181.235 0.097 30 20 ACED C=CCOCC(=O)N1C[C@H]2C[C@@H]2C1 628510352 ZKNPQNPQYYNSND-RKDXNWHRSA-N 181.235 0.667 30 20 ACED C=CC[C@@H](C)[C@@H](C)N[C@@H]1COC[C@H]1O 651457701 CHJHLFOFJQDCBI-GWOFURMSSA-N 199.294 0.936 30 20 ACED C=C[C@](C)(O)C(=O)NCc1ccoc1 667161092 VJRFOBAGHXWVAQ-JTQLQIEISA-N 195.218 0.833 30 20 ACED C=CCN(C)C(=O)CCCC(=O)NC 672973667 BMOJTASOHUVEIJ-UHFFFAOYSA-N 198.266 0.547 30 20 ACED C=C(C)Cn1cc(C[C@@H](C)O)nn1 699945266 DDNGIQQJMIVLTK-MRVPVSSYSA-N 181.239 0.778 30 20 ACED C#CC[C@@H](CO)NC(=O)[C@@H](C)CCC 717773310 BUSLJPYIACNJPX-UWVGGRQHSA-N 197.278 0.923 30 20 ACED C#CCCCNC(=O)N(CC)CCO 745899973 PJPGMNJAIDPAGA-UHFFFAOYSA-N 198.266 0.424 30 20 ACED C(=NNc1ncccn1)c1cc[nH]n1 755633402 DZOHFZSZPSLWCR-UHFFFAOYSA-N 188.194 0.646 30 20 ACED C#C[C@@H](C)NC(=O)[C@H](C)NC(=O)CC 772975734 GAZYPWIBAYIKEL-SFYZADRCSA-N 196.250 0.039 30 20 ACED COCCON=Cc1cn(C)nc1O 814223770 PDNSNFSGNBARGZ-UHFFFAOYSA-N 199.210 0.123 30 20 ACED CON(C)C(=O)C#CC(C)C 820501104 TYDKDJGQZQCVSZ-UHFFFAOYSA-N 155.197 0.666 30 20 ACED C=CCONC(=O)C[C@@](C)(O)C1CC1 837047975 ONNOXZZYEGAMMZ-SNVBAGLBSA-N 199.250 0.771 30 20 ACED C(=NNC1CCCC1)c1cnon1 841627585 VTPUWAIELIDGOI-UHFFFAOYSA-N 180.211 0.936 30 20 ACED 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N#C[C@H]1CCCN(CC[N+](=O)[O-])C1 932150174 OBCXMTMGJZMBSI-MRVPVSSYSA-N 183.211 0.499 30 20 ACED C=C(C)CN1C[C@@H]2C(NC(C)=O)[C@H]2C1 957993715 ZRJMOYRKSCOVLV-UWVGGRQHSA-N 194.278 0.629 30 20 ACED C#CCN1CC[C@@H]2CN(C(C)=O)[C@@H]2C1 1084135687 AJOKYVUWQQJNFU-GHMZBOCLSA-N 192.262 0.172 30 20 ACED C#CCCN[C@@H](C)C[C@H](C)NC(C)=O 1133430728 BUGRWEYBFDZSQP-UWVGGRQHSA-N 196.294 0.903 30 20 ACED C=C(CC)C(=O)N[C@H](CC)C(N)=O 1263835820 GBBVZZNOUCNZNX-SSDOTTSWSA-N 184.239 0.333 30 20 ACED CC[C@H](CC#N)NCc1nc[nH]n1 1328414206 VJAYDAXMWVJHBS-SSDOTTSWSA-N 179.227 0.587 30 20 ACED Cc1nn[nH]c1C(=O)NCCCC#N 1344084183 UMCSNMWKBBNXCV-UHFFFAOYSA-N 193.210 0.147 30 20 ACED N#CC1(NC(=O)[C@@H]2C[C@H]2F)CC1 1346356367 XPYGBPURBAJERH-PHDIDXHHSA-N 168.171 0.517 30 20 ACED COCC#CC(=O)NCC(C)(C)OC 1350802621 NBEDUBHPXSQRQO-UHFFFAOYSA-N 199.250 0.177 30 20 ACED CC(C)C#CC(=O)N[C@@H](C)C(=O)O 1588799186 LIGBZTNRJNWQNC-ZETCQYMHSA-N 183.207 0.235 30 20 ACED CC(C)(N)C#CCN1CCOCC1 1884043272 XWJLCJHGSRGTQU-UHFFFAOYSA-N 182.267 0.059 30 20 ACED C=C[C@H](N)CC(=O)OCC 34060424 GWEQMFFMXGCPJZ-LURJTMIESA-N 143.186 0.453 30 20 ACED Cc1ccc(C#CCO)nn1 39049707 XQAKKIGKOKMFRE-UHFFFAOYSA-N 148.165 0.129 30 20 ACED C#CCN1CCC(CO)CC1 41654536 VCERCHZMFVTHBV-UHFFFAOYSA-N 153.225 0.324 30 20 ACED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CO 44824163 BHCSBBLIBHVOJO-IUCAKERBSA-N 196.250 0.519 30 20 ACED C[C@@H](C#N)CNC(=O)C1CCOCC1 61672343 TXLVOZQPTKGRFE-QMMMGPOBSA-N 196.250 0.689 30 20 ACED C=CCCN1CCN(CC(=O)O)CC1 70593023 JBLHJYRJNQAWOX-UHFFFAOYSA-N 198.266 0.265 30 20 ACED C=CCN(C)C(=O)CCC(=O)O 77264402 KSCWURHBGPNOAQ-UHFFFAOYSA-N 171.196 0.496 30 20 ACED N#CCCCCN1C[C@@H]2CNC[C@@H]2C1 82382629 KEHRTSBYOVQNSU-PHIMTYICSA-N 193.294 0.831 30 20 ACED C#CCNCC(=O)N1CCC[C@@H]1C 86156946 FPRUQXQPUQCHFZ-VIFPVBQESA-N 180.251 0.220 30 20 ACED CCN(CCCO)C(=O)CC#N 122876615 ALWTXQQRJVOAMA-UHFFFAOYSA-N 170.212 0.131 30 20 ACED C=C(Cl)CNC(=O)CCOC 124631627 VGYJLXDVXHBYIH-UHFFFAOYSA-N 177.631 0.892 30 20 ACED N#Cc1cnc(C(N)=O)c(Cl)c1 139589234 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181.191 0.952 30 20 ACED CC#CCN(C)c1cnn(C)c1 306449160 LMFFPLKAMFXFRJ-UHFFFAOYSA-N 163.224 0.880 30 20 ACED C=CC(=O)[C@H](N)C1CC1 307228447 IIUUKQXRXURDAK-SSDOTTSWSA-N 125.171 0.479 30 20 ACED CC#CCNC(=O)C1=CCCCO1 307697422 LXJMRSJSCGJAMX-UHFFFAOYSA-N 179.219 0.820 30 20 ACED CON=CC(=O)N[C@@H]1CCSC1 307970398 GRNFUSCMGXUPIW-ZCFIWIBFSA-N 188.252 0.240 30 20 ACED O=C(CCCc1ccccn1)NO 308240415 SNMALRKIQCYDRL-UHFFFAOYSA-N 180.207 0.910 30 20 ACED C[C@H](C#N)CNC(=O)COC(F)F 308252100 IAQWBWKEGONNPG-RXMQYKEDSA-N 192.165 0.501 30 20 ACED C=C[C@H](CO)N[C@H](CC)[C@@H]1CCOC1 308593217 LDWJIFQANQWWOU-GMTAPVOTSA-N 199.294 0.938 30 20 ACED CC[C@](C)(CN/C(=N/C)NC)OC 322996241 JFJCJGHIFJPWSG-SECBINFHSA-N 187.287 0.596 30 20 ACED CCOCC(C)=NN[C@H](C)CO 379327455 KUBDVANUGZLGFD-SSDOTTSWSA-N 174.244 0.369 30 20 ACED C#CCNC(=S)NCCCOC 379328003 NLUGIHFVJPQUAM-UHFFFAOYSA-N 186.280 0.120 30 20 ACED C=C(C)CN(C)CCC(=O)NC 379334510 OTKYUWTUALFTOY-UHFFFAOYSA-N 170.256 0.630 30 20 ACED C=CCN(C)C(=O)N[C@H](C)COC 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193.250 1.400 30 20 ACED C=C[C@H](O)C(=O)NCC1CC1 646630073 OQBPMMONOUVJIN-ZETCQYMHSA-N 155.197 0.060 30 20 ACED C=CCC[C@H](O)CN1CCC[C@@H](O)C1 649891128 JXVWTQIJGGVKDK-WDEREUQCSA-N 199.294 0.770 30 20 ACED C#CCN(CC#C)[C@@H](CC)C(=O)O 688567735 CFHBPARAEMWMGW-VIFPVBQESA-N 179.219 0.418 30 20 ACED C#CCNC(=O)CN1CC[C@@H]2C[C@@H]2C1 699160363 IIPQSAIFCKZXHW-NXEZZACHSA-N 192.262 0.078 30 20 ACED C#CCCN1CCO[C@H](COCC)C1 705785812 UAUQFVOTCQYTHT-NSHDSACASA-N 197.278 0.747 30 20 ACED C#CCCCOC(=O)CCNC(=O)O 736077143 NCSQXRCRIMSURG-UHFFFAOYSA-N 199.206 0.601 30 20 ACED CN(CC#N)CN1C(=O)CC12CCC2 743359261 JYZQDXIJUSNYAF-UHFFFAOYSA-N 193.250 0.554 30 20 ACED C#CCCCNC(=O)NCCOCC 743690480 BUWCVLPRLMPENM-UHFFFAOYSA-N 198.266 0.736 30 20 ACED C#C[C@@H](C)NC(=O)[C@H](C)OCC1CC1 772974313 CWWGPKFXGNYGFZ-BDAKNGLRSA-N 195.262 0.939 30 20 ACED C#CCONC(=O)[C@@H](C)OCC(C)C 812786566 NIKZJCWZNIPLPZ-SECBINFHSA-N 199.250 0.729 30 20 ACED C#CCNC(=O)CCNCCC#CC 819212653 FMFHRMRSENKTQL-UHFFFAOYSA-N 192.262 0.129 30 20 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0.536 30 20 ACED COCCCCn1cc(C#N)nn1 603335224 ISOWLEXCCAZAQA-UHFFFAOYSA-N 180.211 0.576 30 20 ACED C[C@H](C#N)CNC(=O)N[C@@H](C)CCO 611623690 KIZIHDHKJNCNPO-SFYZADRCSA-N 199.254 0.216 30 20 ACED C=C[C@@H](O)C(=O)N[C@@H](C)[C@@H](C)OC 613845966 GIMQWSDLMMGSCZ-XLPZGREQSA-N 187.239 0.073 30 20 ACED C=C[C@H](O)C(=O)N1C[C@H]2C[C@@H]2C1 628518765 LJKZUQDGGTXROZ-PRJMDXOYSA-N 167.208 0.012 30 20 ACED C=CCCNC(=O)N1CCC1 661569362 MWAQNFDROYUCKP-UHFFFAOYSA-N 154.213 0.978 30 20 ACED C=C[C@](C)(O)C(=O)N(C)CC(F)F 668224065 BQBWFVXSCNJCIP-QMMMGPOBSA-N 193.193 0.647 30 20 ACED CC#CCNC(=O)CCCC(=O)NC 672915541 WEIISXLHLJCPJV-UHFFFAOYSA-N 196.250 0.042 30 20 ACED C=C[C@@H]1CCCCN1c1nnnn1C 683758054 UDSUELAMNACWEU-MRVPVSSYSA-N 193.254 0.755 30 20 ACED C=CCC1(NC[C@H](O)CO)CCCC1 690710721 GYGIDZYGUNXIAH-JTQLQIEISA-N 199.294 0.818 30 20 ACED C#CC[C@@H](CO)N[C@H]1CCSC1 717738047 ANKJHLPUVVLURN-IUCAKERBSA-N 185.292 0.466 30 20 ACED C#C[C@H](C)N(C)C(=O)C[C@@H]1CCOC1 767258186 YIFBMRJZAKLAPV-UWVGGRQHSA-N 195.262 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ACED N#CCN1CCC[C@H](CC(N)=O)C1 306723277 GSWAGSATKIBKIG-MRVPVSSYSA-N 181.239 0.097 30 20 ACED CC#CC(=O)NCc1ccc[nH]1 307257102 BCEBXVQTKNNCDA-UHFFFAOYSA-N 162.192 0.654 30 20 ACED CN(CC#N)C(=O)[C@]1(C)C[C@@H]1F 307345308 NZOLFEHXIWDXLF-POYBYMJQSA-N 170.187 0.716 30 20 ACED Cc1noc(N)c1C(=O)O[C@@H](C)C#N 307412391 RDMLRQGKDJGWDN-BYPYZUCNSA-N 195.178 0.634 30 20 ACED Cc1noc(N)c1C(=O)O[C@H](C)C#N 307412392 RDMLRQGKDJGWDN-SCSAIBSYSA-N 195.178 0.634 30 20 ACED C=C(C)[C@H]1OCC[C@H]1C(=O)NOC 307583806 ZXHKXGRUAGKUDJ-HTQZYQBOSA-N 185.223 0.645 30 20 ACED C=CCCC(=O)N[C@@H](C)C#N 307625941 PUZUNPNYWUBWCN-ZETCQYMHSA-N 152.197 0.981 30 20 ACED C=CCCN1CCc2nn[nH]c2C1 307751688 OXVFGUDAMNKPSR-UHFFFAOYSA-N 178.239 0.739 30 20 ACED C#CCCN(CCC)CC(N)=O 307966169 RHNSTDRZHMZSCJ-UHFFFAOYSA-N 168.240 0.207 30 20 ACED CC[C@H](CC#N)NC(=O)CC#N 307992517 UJXLHYCTVISMLJ-SSDOTTSWSA-N 165.196 0.709 30 20 ACED C#CCONC(=O)C[C@@H](C)OC 308148645 LRHNLTMUIZBFBN-SSDOTTSWSA-N 171.196 0.092 30 20 ACED C#CCONC(=O)C(C)(C)C(F)F 308156691 RSVNTISJOQBHQM-UHFFFAOYSA-N 191.177 0.959 30 20 ACED C#CC(C)(C)NC(=O)[C@H](CC)CO 308391610 ZXMSKXWLJTXSHL-MRVPVSSYSA-N 183.251 0.533 30 20 ACED C=C[C@H](COC)NCc1cnnn1C 308589645 JUXSYJVATXFRHM-MRVPVSSYSA-N 196.254 0.106 30 20 ACED CN(C)CCOc1ccnc(C#N)n1 308642372 DTXPFIGWNBRJQW-UHFFFAOYSA-N 192.222 0.289 30 20 ACED C#CCCN[C@@](C)(COC)C(=O)OC 379590085 WAUPEXNTOBKCAM-JTQLQIEISA-N 199.250 0.177 30 20 ACED C=C(C)CCNC(=O)C1(C(=O)O)CC1 386774498 LAZFBAOTBJWWLK-UHFFFAOYSA-N 197.234 0.934 30 20 ACED C#C[C@@H](C)NC(=N)N(CC)CC 388254577 YURMIQALFXLWQS-MRVPVSSYSA-N 167.256 0.874 30 20 ACED CC#CC(=O)N[C@@H](C)CCN(C)C 388748072 ZMUOQBKWLBLEQI-VIFPVBQESA-N 182.267 0.466 30 20 ACED C=CCC[C@@H](O)CN[C@H](CO)C1CC1 393667544 DRTWAJMYQUMDNZ-GHMZBOCLSA-N 199.294 0.674 30 20 ACED C#C[C@@](C)(CC)NCC(=O)OC 395229243 QTARLNHPSGXLQJ-VIFPVBQESA-N 169.224 0.551 30 20 ACED C[C@H](C#N)N(C)C(=O)C[C@H]1CCOC1 401337851 IVLCTNHMFKXEHW-RKDXNWHRSA-N 196.250 0.783 30 20 ACED CC[C@H](C#N)C(=O)N[C@@H](C)C(C)(C)O 593498050 GSOBWWMGYCYTOI-JGVFFNPUSA-N 198.266 0.812 30 20 ACED N#CCCN1C[C@H]2CC[C@@H](O)C[C@H]2C1 595633141 NXKAGBOXMSLYKE-OUAUKWLOSA-N 194.278 0.993 30 20 ACED N#Cc1cn(CCC2CC2)nn1 603335223 IQMTZMIGAKZKDW-UHFFFAOYSA-N 162.196 0.950 30 20 ACED C#CC(=O)N1CC(F)(F)C(F)(F)C1 606268630 QYWBGHZOXRJYAW-UHFFFAOYSA-N 195.115 0.732 30 20 ACED C=C[C@@H](C)NC(=O)[C@@H](C)CC(=O)OC 610718123 ZIEMCMLCQBUETI-JGVFFNPUSA-N 199.250 0.876 30 20 ACED CC[C@H](CC#N)NC(=O)c1cnc[nH]1 613038633 BJDOWEDNQMGQMU-SSDOTTSWSA-N 192.222 0.832 30 20 ACED C=C[C@H](O)C(=O)N(C)C1(COC)CC1 617469234 BMQVRITYELXTLU-QMMMGPOBSA-N 199.250 0.171 30 20 ACED C=C(C)CCN[C@]1(C(N)=O)CCOC1 653846745 MFOBNXBRGYQVHT-SNVBAGLBSA-N 198.266 0.187 30 20 ACED C=CCN(C[C@@H]1CNC(=O)C1)C1CC1 660171956 YNSQTRXOPFYWHR-VIFPVBQESA-N 194.278 0.773 30 20 ACED CC#CCNC(=O)c1n[nH]c(C)c1O 677840593 QKURISGSRLOZDM-UHFFFAOYSA-N 193.206 0.177 30 20 ACED C=C[C@H](NCC[C@H](C)F)C(=O)O 702544575 LRRPHOBGSYULPN-BQBZGAKWSA-N 175.203 0.963 30 20 ACED CC#CC[C@H](CO)NC(=O)/C=C/C 717813974 PSKVMDULQGHTOK-OTQAPUNGSA-N 181.235 0.453 30 20 ACED C=CCN1CC[C@@H](C2OCCO2)C1 719057524 IKWNZQNSEPTLEV-SECBINFHSA-N 183.251 0.867 30 20 ACED CC(=O)[C@@H](C#N)C(=O)c1nccn1C 770869523 YCRFSSWWVDHNTE-SSDOTTSWSA-N 191.190 0.332 30 20 ACED C(=NN[C@@H]1CCOC1)c1ccccn1 788455590 GUKQQKCPBDSLKO-SNVBAGLBSA-N 191.234 0.794 30 20 ACED CC(CCO)=NNc1ncncc1F 793217792 KURSFMGTJYPVNT-UHFFFAOYSA-N 198.201 0.786 30 20 ACED CC#CC(=O)N(C)C[C@H]1CCCN1C 817678993 PHNCAYIXALYVNL-SNVBAGLBSA-N 194.278 0.562 30 20 ACED C#C[C@@H](C)NC(=O)CN1CCCC1 822081364 DJSYIENQKNNPEX-SECBINFHSA-N 180.251 0.220 30 20 ACED C#CCNC(=O)CCN1CC[C@H](F)C1 830479628 IRWUKAGIUQQQGY-VIFPVBQESA-N 198.241 0.170 30 20 ACED C#CCNN=C1CSC[C@@H]1C 835008928 QRZIKYZUWFMFEY-ZETCQYMHSA-N 168.265 0.948 30 20 ACED C=C(C)CNCc1cnn(CC)n1 839029733 JMLCTPAJEQHSBQ-UHFFFAOYSA-N 180.255 0.964 30 20 ACED CCC(CC)NN=Cc1ncnn1C 842527190 KKIMLBJLYFEXCI-UHFFFAOYSA-N 195.270 0.927 30 20 ACED C=CCNC(=N)NCc1cc(C)on1 848991039 VFMZSZLGHJYPFV-UHFFFAOYSA-N 194.238 0.783 30 20 ACED C#CCOCCN[C@]1(C)CCO[C@@H]1C 851985069 YFGWWMXDSLVERB-GHMZBOCLSA-N 197.278 0.793 30 20 ACED C=CCONC(=O)c1nnc(C)s1 854853090 WUTSUMVEXRTMTB-UHFFFAOYSA-N 199.235 0.694 30 20 ACED CON=CC(=O)NC(C)(C)C1CC1 857300260 ABVMTQAGXJIOJE-UHFFFAOYSA-N 184.239 0.923 30 20 ACED COC/C=C\C(=O)N=C1C[C@@H](C)ON1 867062513 CZNDCQBXGFPGFU-KFOINNEUSA-N 198.222 0.428 30 20 ACED C#C[C@H](C)N(C)C(=O)C1CSC1 867839997 KVLYZTFTDYSNRI-ZETCQYMHSA-N 183.276 0.830 30 20 ACED C=CCN1CCC(CO)(CO)CC1 879967811 DODVDHKQHQHQJV-UHFFFAOYSA-N 185.267 0.239 30 20 ACED C#CC1(O)CN([C@@H]2CC[C@H](C#N)C2)C1 934447276 AAWYPWOUAQQNFV-VHSXEESVSA-N 190.246 0.359 30 20 ACED C#C[C@@H](NC(=O)[C@@](C)(O)CC)C(C)C 935801695 UTVAFCHLNXLXET-KOLCDFICSA-N 197.278 0.921 30 20 ACED CC(=O)N(C)C[C@@H]1CCN1CC#N 1085445870 QJDIEXQMGWCOHQ-VIFPVBQESA-N 181.239 0.063 30 20 ACED C=C(CC)COC(=O)CCC(N)=O 1123056464 OBVHTVHLNROCGY-UHFFFAOYSA-N 185.223 0.761 30 20 ACED 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C[C@H](O)CCCNC(=O)[C@@H](C)C#N 228650193 IZXCKVINRBEGRG-YUMQZZPRSA-N 184.239 0.423 30 20 ACED C#CCCCCC(=O)NCCC(=O)O 236427067 VWHJDJKHAKBTJS-UHFFFAOYSA-N 197.234 0.771 30 20 ACED C#CCONC(=O)c1ccc[nH]1 306162532 OINBKUGQVMMSJJ-UHFFFAOYSA-N 164.164 0.309 30 20 ACED C=C(CO)C(=O)NC1(C#N)CCC1 306303714 BKIRWUMUVPUWDO-UHFFFAOYSA-N 180.207 0.097 30 20 ACED O=CC1(CCCO)CC1 306357964 WSODYLVHDNOMBL-UHFFFAOYSA-N 128.171 0.738 30 20 ACED CC#CC(=O)N1C[C@@H](O)[C@@H](CC)C1 306393797 DVLVMOLCMUDXBA-DTWKUNHWSA-N 181.235 0.239 30 20 ACED N#CCOC(=O)[C@@H]1CCC=CO1 306439475 NGLTUKNDCNFYLW-ZETCQYMHSA-N 167.164 0.746 30 20 ACED C#C[C@@H](C)NC(=O)[C@@H]1CC[C@@H]1C(=O)O 306967811 NMHLNZNJRNLLDR-PRJMDXOYSA-N 195.218 0.235 30 20 ACED C=C(C)Cn1cncc(C#N)c1=O 307224126 SEWKRWRBKSZGCK-UHFFFAOYSA-N 175.191 0.691 30 20 ACED C[C@@H](O)CN(C)c1ccnc(C#N)n1 307288351 WVTPBXWNRRSGCE-SSDOTTSWSA-N 192.222 0.165 30 20 ACED C#C[C@H](C)N(C)CCOCC 307912401 XTOGTRLHMDTWKE-VIFPVBQESA-N 155.241 0.976 30 20 ACED 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C#CCN1C(=O)N[C@@H]([C@@H](C)CC)C1=O 777550970 HEFOUOOSKXATMB-YUMQZZPRSA-N 194.234 0.586 30 20 ACED CON=CC(=O)N[C@H](C#N)C(C)(C)C 793804976 HZOXJXCZQRKIHB-SSDOTTSWSA-N 197.238 0.673 30 20 ACED C#Cc1cncc(C(=O)N[C@@H](C)C#C)c1 807274500 SNJWEIOFNKNZRZ-VIFPVBQESA-N 198.225 0.814 30 20 ACED CC#CC(=O)NCC(C)(C)COC 816982883 ZBWHSNMTNSXJKZ-UHFFFAOYSA-N 183.251 0.799 30 20 ACED CC#CCNC(=O)/C=C(\C)COC 845903203 XHQIUJGUJYCJGU-VQHVLOKHSA-N 181.235 0.719 30 20 ACED C[C@H]1COCC1=NN1CCN(C)CC1 884370725 SUNNTPVPAHXZMU-VIFPVBQESA-N 197.282 0.256 30 20 ACED CC(=O)C(C)=NOCC(=O)NC1CC1 902760244 MPQRDKRGTOFSLU-UHFFFAOYSA-N 198.222 0.247 30 20 ACED CC#CCN1CC[C@@H](CNC(C)=O)C1 1028359896 WRYDGQCXXVIBDB-NSHDSACASA-N 194.278 0.468 30 20 ACED COCC1CN(C(=O)[C@H](C)C#N)C1 1119328982 YESBFYSDADGFOT-SSDOTTSWSA-N 182.223 0.251 30 20 ACED C#CCNC(=O)NCCC(F)F 1263062396 SHXJZRFGWHHFKA-UHFFFAOYSA-N 176.166 0.574 30 20 ACED C=CCNC(=O)NCCCC(=O)O 19980706 MMSXQXILNNXCIX-UHFFFAOYSA-N 186.211 0.336 30 20 ACED C[C@H](CN)CS 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0.129 30 20 ACED C[C@H](O)CCN1CCC[C@@H](C#N)C1 229645139 GKRHIZFUZIFLGV-UWVGGRQHSA-N 182.267 0.993 30 20 ACED C#C[C@H](CCC)NC(=O)[C@H]1CCCN1 229989653 MLJFMYMMQVNNTR-NXEZZACHSA-N 194.278 0.657 30 20 ACED CC(C)(C#N)NC(=O)C(F)F 232530396 WEILYFOEHDWIAB-UHFFFAOYSA-N 162.139 0.670 30 20 ACED C=CCN1[C@@H](C(=O)O)CC[C@@H]1C(=O)O 238689436 ZEHUTAHQBRTPKF-RNFRBKRXSA-N 199.206 0.175 30 20 ACED C=C[C@@H](NCCOC(C)C)C(=O)O 301053838 ZDGXQVCWONQUDB-MRVPVSSYSA-N 187.239 0.640 30 20 ACED N#CCSc1nnc(N)n1C1CC1 306434466 CSWFXNUBVNQMOF-UHFFFAOYSA-N 195.251 0.811 30 20 ACED CC(C)(C#N)C(=O)Nc1cc[nH]n1 306462809 ARLDOCIHFWTSOK-UHFFFAOYSA-N 178.195 0.898 30 20 ACED N#CCOC(=O)c1c[nH]c(C#N)c1 306946941 OAVUYVYKTSMVMO-UHFFFAOYSA-N 175.147 0.567 30 20 ACED C[C@@H]1C[C@@]2(CCO1)O[C@H]2C#N 307115954 DWJOXZWSDIOVQF-GJMOJQLCSA-N 153.181 0.846 30 20 ACED C=CC(C)(C)CNC(N)=O 307245892 WSBKTBNKKWRBRN-UHFFFAOYSA-N 142.202 0.867 30 20 ACED C=C(C)CN1C(=O)[C@@H](C)NC1=S 307303117 DQOAHPOFAASBQS-ZCFIWIBFSA-N 184.264 0.668 30 20 ACED N#Cc1cc(NCCC(=O)O)ncn1 307429146 URZXJBSHKDMZOE-UHFFFAOYSA-N 192.178 0.235 30 20 ACED CC[C@H](CO)Nc1cc(C#N)cnn1 307471896 QANAFKCNMDAKHX-MRVPVSSYSA-N 192.222 0.531 30 20 ACED O=C(NO)c1cccc(F)n1 307566803 DDZUPRSBWBUKPR-UHFFFAOYSA-N 156.116 0.340 30 20 ACED CC#CC(=O)N(CC)CCOC 308045060 OYTVPXIPJYKFTC-UHFFFAOYSA-N 169.224 0.505 30 20 ACED CCc1cc(C(=O)OCC#N)[nH]n1 308477395 MHNOATCPMQIUDO-UHFFFAOYSA-N 179.179 0.652 30 20 ACED CC#CCN1CCn2cnnc2[C@H]1C 336087272 NUEWVTYJJCOGMR-SECBINFHSA-N 190.250 0.678 30 20 ACED CC#CCn1nc(C)nc1C 336552540 ZPJYWGPWEYVSPG-UHFFFAOYSA-N 149.197 0.918 30 20 ACED C#CCON=CC1(C)COC1 378797224 RDAPNVITFDQGFX-UHFFFAOYSA-N 153.181 0.659 30 20 ACED C#CCC[C@H](O)CNC(=O)CCC 379365948 QLTCMVIIUFJDIE-VIFPVBQESA-N 183.251 0.677 30 20 ACED CO[C@H](C)C(=O)NCC1(C#N)CC1 379408629 BGCWKPIDYBWESI-SSDOTTSWSA-N 182.223 0.441 30 20 ACED C#CCCCNC(=O)NCCCO 388216441 GNLCDIXOWROJMG-UHFFFAOYSA-N 184.239 0.081 30 20 ACED CON=CC(=O)N1C[C@@H](C)[C@@H](C)C1 388659646 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DLRUQQRKWTXAGU-IONNQARKSA-N 180.207 0.053 30 20 ACED CSc1ncccc1C(=O)NO 306364751 CZRNNGYZAXKNTB-UHFFFAOYSA-N 184.220 0.923 30 20 ACED C#CCN(C)c1nnc(C)n1CC 306702007 ZRVXMRHXQUCEMH-UHFFFAOYSA-N 178.239 0.676 30 20 ACED CC(C)SCC(=O)NCC#N 307620919 IWORSNUKEPGSMF-UHFFFAOYSA-N 172.253 0.768 30 20 ACED C[C@H](NC(=O)CC#N)C(F)(F)F 307705854 ZCQFGIPTSTWEFX-BYPYZUCNSA-N 180.129 0.967 30 20 ACED CN(CC#N)C(=O)c1csc(=O)[nH]1 307712094 WESYVOCFIPSDRP-UHFFFAOYSA-N 197.219 0.032 30 20 ACED C=CCCCCN1C(=O)CNC1=O 308137388 JDHHGPTVRZTXJC-UHFFFAOYSA-N 182.223 0.895 30 20 ACED CON=CC(=O)N(C)[C@H](C)CC#N 308376904 SRZSCCSDBGEQRM-SSDOTTSWSA-N 183.211 0.379 30 20 ACED C#CCOCCOC(=O)CC1CC1 308413068 PKTCEKLMXMNEFJ-UHFFFAOYSA-N 182.219 0.980 30 20 ACED C=C1CCN(CC(=O)NCC#N)CC1 334674278 JWVVDDWGEGBLBE-UHFFFAOYSA-N 193.250 0.278 30 20 ACED C[C@@H](CC#N)N(C)Cc1nncn1C 379340511 FUQBFFFYNKZDLF-QMMMGPOBSA-N 193.254 0.549 30 20 ACED C=C[C@H](CO)NC(=O)C(C)(C)F 388418619 GJHIGJILCRKSLQ-ZCFIWIBFSA-N 175.203 0.398 30 20 ACED CC(=O)CCCC(=O)OCC#N 388474859 QCNSEPGRRVKKGW-UHFFFAOYSA-N 169.180 0.812 30 20 ACED C=C(C)CCN1C[C@@H](O)[C@H](OC)C1 395382641 ZHQZUWMHXFKWLX-NXEZZACHSA-N 185.267 0.644 30 20 ACED COCC1(CC(=O)N(C)CC#N)CC1 401368468 UYXAETDAXLOOQE-UHFFFAOYSA-N 196.250 0.785 30 20 ACED C=CCN[C@H]1COC[C@@H]1C 575480247 HGHQKEHVCCZZRK-YUMQZZPRSA-N 141.214 0.797 30 20 ACED CN(CCCC#N)C[C@H]1COCCO1 595743073 PQBJOPGWYXFNAW-JTQLQIEISA-N 198.266 0.637 30 20 ACED C[C@H](CC#N)NC(=O)[C@@H](O)C1CC1 596994837 HYDIMTAQXHEELZ-SVRRBLITSA-N 182.223 0.176 30 20 ACED CCOCCCC(=O)NC1(C#N)CC1 609647775 IEIFJKTWXQASID-UHFFFAOYSA-N 196.250 0.975 30 20 ACED CCC[C@@H](O)CC(=O)NC1(C#N)CC1 611004761 BVYMBAXCVFAJCM-MRVPVSSYSA-N 196.250 0.710 30 20 ACED C=CCCNC(=O)NC1CCNCC1 659504630 HNTOUJYPDSJSTR-UHFFFAOYSA-N 197.282 0.614 30 20 ACED C=CCCNC(=O)N[C@@H](C)CCN 659528963 HBNPSCYOKRCCDH-QMMMGPOBSA-N 185.271 0.599 30 20 ACED C=C[C@@](C)(O)C(=O)N(C)CC(F)F 668224064 BQBWFVXSCNJCIP-MRVPVSSYSA-N 193.193 0.647 30 20 ACED Cc1nnc2ccc(C(=O)NO)cn12 671994814 FDAAQGFRSCBNFL-UHFFFAOYSA-N 192.178 0.157 30 20 ACED C=CCN(C)CCN1C(=O)CCC1=O 681696240 WQOZCINGSFQJAW-UHFFFAOYSA-N 196.250 0.253 30 20 ACED C=C(C)CN(C)C(=O)c1ncn(C)n1 685817787 SOWUXWHFTRETEC-UHFFFAOYSA-N 194.238 0.463 30 20 ACED C=C[C@H](N[C@@H](C)CF)C(=O)O 702636524 NTFSCHZXQVMRTN-WDSKDSINSA-N 161.176 0.573 30 20 ACED C#CC[C@@H](CO)NC[C@H](CCC)OC 717832795 XXYRNVCTKDWADE-QWRGUYRKSA-N 199.294 0.775 30 20 ACED C=CCNC(=O)C(C)(C)NC(=O)O 736107109 RUINRPLLEYNJHY-UHFFFAOYSA-N 186.211 0.335 30 20 ACED C#CCCOC(=O)[C@H]1C[C@@]12CCOC2 764762516 QTKAWCRTYRWZNL-MWLCHTKSSA-N 194.230 0.980 30 20 ACED C#CCNC(=O)N[C@H]1CCCOCC1 776263181 BSGYFTNECCSIGB-VIFPVBQESA-N 196.250 0.488 30 20 ACED C#CCCCNC(=O)NCCCCO 787267947 RUJINPBFEXKXRN-UHFFFAOYSA-N 198.266 0.472 30 20 ACED N#CCCNC(=O)CCn1cccc1 787619861 JRTNKADHGKESQM-UHFFFAOYSA-N 191.234 0.908 30 20 ACED C#CCN(C)C/C=C/CN(C)CC#C 792306433 UDIJPCZCUYLBCS-BQYQJAHWSA-N 190.290 0.673 30 20 ACED CC#CC(=O)NCc1cnn(CC)c1 801157399 WWGAZCKGDFARBY-UHFFFAOYSA-N 191.234 0.543 30 20 ACED C#C[C@@H](C)NC(=O)N[C@@H](C)CCCO 812143771 XSLDFCXEUYWKPT-BDAKNGLRSA-N 198.266 0.468 30 20 ACED C[C@](C#N)(CC(=O)O)C(=O)OCC#N 819864601 ABZDXCUKLPHDOM-MRVPVSSYSA-N 196.162 0.058 30 20 ACED C=CCCN(C)CC[S@@](C)=O 828401613 PCVNOODWLQGIHL-LLVKDONJSA-N 175.297 0.873 30 20 ACED C=CCN(C)C(=O)[C@H]1CC(C)=NO1 832502703 QQRQXPBBONOZSN-MRVPVSSYSA-N 182.223 0.796 30 20 ACED N#C[C@@H](OC(=O)CNC(=O)O)C1CC1 833065035 QMAPRVOLNRZYKJ-ZCFIWIBFSA-N 198.178 0.099 30 20 ACED CCO/C=C/C(=O)N(C)CC#N 847410681 LNAZTPSRCUDZPV-QPJJXVBHSA-N 168.196 0.519 30 20 ACED CC(C)(O)c1cn(CCCC#N)nn1 849141175 KUWWTUURHCYEMK-UHFFFAOYSA-N 194.238 0.809 30 20 ACED CC1=NO[C@@H](CNC(=O)[C@H](C)C#N)C1 854797814 WIOVZNGFAAITFK-HTRCEHHLSA-N 195.222 0.427 30 20 ACED C#CCONC(=O)CCC1(O)CCC1 869254698 WYWRVBXWESJCST-UHFFFAOYSA-N 197.234 0.363 30 20 ACED C#CCN(C(=O)NCCOC)C(C)C 905145208 KLAHJOHJSTVKKD-UHFFFAOYSA-N 198.266 0.686 30 20 ACED C=CCCC[C@H](N)C(=O)NC1CC1 911930898 LOZDWDAVNGQOGT-VIFPVBQESA-N 182.267 0.949 30 20 ACED CC1(C)C[C@@H]1NC(=O)NCC#CCO 923769602 WOGJQWMNKPPRGQ-QMMMGPOBSA-N 196.250 0.080 30 20 ACED C#CC1(O)CN(CCOC(C)C)C1 934440875 GMYFHBZCKVRLFG-UHFFFAOYSA-N 183.251 0.091 30 20 ACED C=CC(C)(C)C(=O)NCCNCC#N 1132401790 DYSNLVWFNURLQP-UHFFFAOYSA-N 195.266 0.428 30 20 ACED CN(CCC#N)C[C@@H]1CN(C)C(=O)O1 1327812278 UDYIBXTWCJUCRB-MRVPVSSYSA-N 197.238 0.282 30 20 ACED C#CCOCCC(=O)NOC(C)C 1330660285 XHZIHMAPWURRHG-UHFFFAOYSA-N 185.223 0.483 30 20 ACED Cc1nnc(C(=O)N(C)CC#N)s1 1347387410 SOFXPDMJRBAHQG-UHFFFAOYSA-N 196.235 0.442 30 20 ACED C#CCOCCN(C)C(=O)[C@H]1C[C@H]1F 1347673696 LDPVLNMKTOOOJZ-DTWKUNHWSA-N 199.225 0.453 30 20 ACED CCc1cn(CC#N)cn1 1459264411 VPPFRDJRMCEDLI-UHFFFAOYSA-N 135.170 0.969 30 20 ACED CCN(OC)C(=O)[C@H](C)C#N 1522179640 YNCUIIUDVNNRNA-ZCFIWIBFSA-N 156.185 0.556 30 20 ACED C=C(C)CSCC(N)=O 41364361 OMSKQWLJCQMPBS-UHFFFAOYSA-N 145.227 0.781 30 20 ACED CCN(CCCO)C[C@H](C)C#N 42447727 WPSCQCRXLXFUGQ-SECBINFHSA-N 170.256 0.850 30 20 ACED CCCNC(=O)CN(C)[C@@H](C)CC#N 42518245 WIUYOPDLSJJGES-VIFPVBQESA-N 197.282 0.747 30 20 ACED C[C@H](C#N)C(=O)Nc1nncs1 44813136 YAURIPLNQKEGDA-SCSAIBSYSA-N 182.208 0.636 30 20 ACED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)C#N 44825498 HEJYDLOATVNZSB-NKWVEPMBSA-N 198.222 0.214 30 20 ACED C=CCCC(=O)N1CC[C@H](CN)C1 54400976 ARRUDCQWDNTGKZ-SECBINFHSA-N 182.267 0.760 30 20 ACED N#CCCNC(=O)[C@@H]1CCCOC1 62235383 PKXAMAHAXSJLJH-MRVPVSSYSA-N 182.223 0.443 30 20 ACED C=CCNC(=O)Cc1cccnc1 74724230 ROTVGJKIHJFWRF-UHFFFAOYSA-N 176.219 0.926 30 20 ACED C=CCN1CCC[C@@H]1CNC(C)=O 80450342 RNQUZKYMGGTFRU-SNVBAGLBSA-N 182.267 0.773 30 20 ACED C=C[C@@H](O)[C@H]1CCOC1 83813589 ZTHSGDLSHFAPQK-NKWVEPMBSA-N 128.171 0.570 30 20 ACED C#CC(C)(C)NC(=O)[C@@H]1CCO[C@H]1C 86761133 AILZLRZLGAJJBF-DTWKUNHWSA-N 195.262 0.939 30 20 ACED C=CCN1C[C@H](CO)OC[C@H]1C 88094387 TVULJJJWEWGQQL-RKDXNWHRSA-N 171.240 0.254 30 20 ACED C=CC(=O)C[C@@H](N)C1CC1 122305540 FHBAISSFZFHYPC-MRVPVSSYSA-N 139.198 0.869 30 20 ACED C=CCC[C@H](C)NC[C@@H](O)COC 126841943 JUBAJVRVTIVTLG-VHSXEESVSA-N 187.283 0.938 30 20 ACED C[C@H](O)CCN(C)C(=O)[C@H](C)C#N 130557754 AORLWTXATATUCU-SFYZADRCSA-N 184.239 0.375 30 20 ACED C#CCCCN(CC)CC(=O)N(C)C 161093512 UZZGDBVFRSLNCC-UHFFFAOYSA-N 196.294 0.810 30 20 ACED CN(C)C1(CNC(=O)CC#N)CCC1 165238155 MRIKUZJQZBQXRT-UHFFFAOYSA-N 195.266 0.501 30 20 ACED C=CCOCCCC(N)=O 166140570 ZIJZADIFAPFCKC-UHFFFAOYSA-N 143.186 0.455 30 20 ACED C#C[C@H](C)NC(=O)NC1CC1 166651400 MGHWFPCZUWDYHW-LURJTMIESA-N 152.197 0.470 30 20 ACED C#CCn1cc(C2CCNCC2)cn1 214573530 UXYVBHMPECGDPE-UHFFFAOYSA-N 189.262 0.983 30 20 ACED O=CCC(=O)c1cscn1 229143054 DSUJCPPZKIOTDQ-UHFFFAOYSA-N 155.178 0.915 30 20 ACED C=C[C@@H](C)NC(=O)CNC(C)C 229222808 LILKFCSFJHIVTQ-MRVPVSSYSA-N 170.256 0.675 30 20 ACED C=C[C@@H](C(=O)OC)N1CCC[C@@H](O)C1 301019692 JNMVNARPPJLPAF-BDAKNGLRSA-N 199.250 0.171 30 20 ACED CCC(=O)N[C@]1(C#N)CCSC1 306541716 XXNLVQSXAGQVLH-QMMMGPOBSA-N 184.264 0.912 30 20 ACED C=C(CO)C(=O)N1CCC[C@H]2C[C@@H]21 306650534 RHMDQQYQTZQHHB-IUCAKERBSA-N 181.235 0.546 30 20 ACED Cc1n[nH]c([C@@H](C)NC(=O)CC#N)n1 307017064 VQNBKNNDJJDTMT-RXMQYKEDSA-N 193.210 0.204 30 20 ACED C[C@@H](NC(=O)CC#N)[C@@H]1CCCOC1 307383749 IVEDKWRHKIPKBW-RKDXNWHRSA-N 196.250 0.831 30 20 ACED C#C[C@H](C)N(C)C(=O)COC 307759352 RJHUAHJEZHRWPA-ZETCQYMHSA-N 155.197 0.113 30 20 ACED CC[C@H](C)N(CC#N)CCO 307913733 ZVPHDVROPZAXCO-QMMMGPOBSA-N 156.229 0.603 30 20 ACED C=CC1CCN(C(=O)CO)CC1 336249600 VBRZGOAJFWHSSI-UHFFFAOYSA-N 169.224 0.403 30 20 ACED C=C[C@H](C)NC(=O)C(C)(C)C(N)=O 379385682 UXOYBPXHEQZSIY-LURJTMIESA-N 184.239 0.189 30 20 ACED CCNCC(=O)N(CC#N)C1CC1 388275534 IWKWNZGMICFKHV-UHFFFAOYSA-N 181.239 0.110 30 20 ACED C=C(Cl)CNC(=O)NCCC#N 388390606 BSSHLYCCXZFBTD-UHFFFAOYSA-N 187.630 0.952 30 20 ACED Cn1ncc(Cl)c1C(=O)NCC#N 575507951 OBKHYXDEUMCZIK-UHFFFAOYSA-N 198.613 0.327 30 20 ACED CC#CCN(C)[C@H](C(=O)OC)C1CC1 590209352 QZOFGENBNAKXBN-JTQLQIEISA-N 195.262 0.893 30 20 ACED C[C@H]1CCCN(CC#N)[C@H]1CCO 595691434 AZUREYXIIRLRAZ-UWVGGRQHSA-N 182.267 0.993 30 20 ACED C[C@H]1CCN(CC#N)C[C@@H]1CO 598645882 OZVFVWDILYBZLT-DTWKUNHWSA-N 168.240 0.460 30 20 ACED CC#CCCS(C)(=O)=O 629182263 SMKTUQXWWRYIFP-UHFFFAOYSA-N 146.211 0.444 30 20 ACED C=C(C)CN1C[C@H](O)C[C@@]1(C)CO 639852391 TYDSZTLLRZWZCB-ZJUUUORDSA-N 185.267 0.380 30 20 ACED C=C[C@H](CO)NCc1cnns1 662168305 ATLJYPLMFGKOPT-ZCFIWIBFSA-N 185.252 0.175 30 20 ACED C=CCN(C)C(=O)CCC(=O)NCC 681749346 OTHMHZRJUGDETG-UHFFFAOYSA-N 198.266 0.547 30 20 ACED C#CC[C@@H](CO)NCc1cscn1 717747602 FBYOUGYASPUKJZ-QMMMGPOBSA-N 196.275 0.617 30 20 ACED C#CCCNC(=O)[C@@H]1CCCCN1C 733366937 PQMRRHDOSWHUTN-JTQLQIEISA-N 194.278 0.610 30 20 ACED C#CCN(CC)Cc1cnn(C)c1 750533192 ZVDWRZKKAYGJCT-UHFFFAOYSA-N 177.251 0.875 30 20 ACED C[C@@H](C#N)OC(=O)C[C@@](C)(O)C1CC1 756323277 ANRSUGYRHVJDCC-OIBJUYFYSA-N 197.234 0.993 30 20 ACED C#CC(C)(C)N(C)Cc1nncn1C 788001100 YXVYCKTUNGTERI-UHFFFAOYSA-N 192.266 0.659 30 20 ACED CC(=NN[C@H]1CCOC1)[C@H]1CCCO1 788455233 FGAPDHAXXCZKJS-VHSXEESVSA-N 198.266 0.920 30 20 ACED C#Cc1cncc(C(=O)N[C@H](C)C#C)c1 807274499 SNJWEIOFNKNZRZ-SECBINFHSA-N 198.225 0.814 30 20 ACED C=CCOC(=O)C[C@@H]1CCCC(=O)N1 808685996 URMJWWWAPHENHJ-QMMMGPOBSA-N 197.234 0.774 30 20 ACED C=CCNC(=S)NC(CF)CF 840774845 RJLOYDAJUORFNT-UHFFFAOYSA-N 194.250 0.944 30 20 ACED CCCON=C1C(=O)OC[C@H]1C 842551511 RURXSAHWDRFETH-ZCFIWIBFSA-N 171.196 0.962 30 20 ACED C=CCCNC(=O)[C@H]1CC(C)=NO1 855382756 FXKLRWUYHVZRGR-MRVPVSSYSA-N 182.223 0.844 30 20 ACED C[C@@H]1C[C@H]1C=NNCC(C)(C)O 863138017 WDNMWDONCCMRJB-SFYZADRCSA-N 170.256 0.989 30 20 ACED C=CCNC(=S)NC1(C)COC1 865252620 YSJCLYSMADTFQM-UHFFFAOYSA-N 186.280 0.425 30 20 ACED C#CCNC(=O)c1cnc(C2CC2)o1 877966115 AHCIGYUHVNSXNT-UHFFFAOYSA-N 190.202 0.915 30 20 ACED C#CCN(CC#N)C[C@@H]1CCO[C@@H]1C 878552136 MDTHHRVZZDOMAQ-MNOVXSKESA-N 192.262 0.870 30 20 ACED C#CCSCC(=O)N[C@@H](C#C)CC 891458821 FIASKYXKUINWEM-VIFPVBQESA-N 195.287 0.881 30 20 ACED C=C1CN(C(=O)[C@@H]2CCCCN2C)C1 898697141 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0.719 30 20 ACED C[C@H](CO)NN=C1CC[C@@H]2C[C@H]12 872355402 IJHPCTBCKBLQGP-PRJMDXOYSA-N 168.240 0.743 30 20 ACED COc1ccnc(C=NN2CCC2)n1 872398507 TUXSZIXJWWOIIC-UHFFFAOYSA-N 192.222 0.525 30 20 ACED C#CCN(CC#N)C[C@H]1CCO[C@@H]1C 878552135 MDTHHRVZZDOMAQ-GHMZBOCLSA-N 192.262 0.870 30 20 ACED C=CCNC(=S)NC[C@@H]1CCN1C 905650227 FABXROKZJLKQLL-QMMMGPOBSA-N 199.323 0.341 30 20 ACED N#C[C@@H]1CCCN(Cn2cnnc2)C1 905722862 LTNRREYJWALJFJ-VIFPVBQESA-N 191.238 0.471 30 20 ACED C=CCONC(=O)Cc1cnc[nH]1 909283299 WKIKJSDGZCMTQN-UHFFFAOYSA-N 181.195 0.186 30 20 ACED CC[C@](C)(C#N)C(=O)N[C@@H](C)C(=O)O 923057775 QYFKTQHAWZZQSW-IMTBSYHQSA-N 198.222 0.516 30 20 ACED C=CC[C@H](CO)CN[C@H]1COC[C@H]1C 925697131 MZPLHIPSDFCICS-VWYCJHECSA-N 199.294 0.796 30 20 ACED C#CCN(CC)Cc1nncs1 929788169 PXXQTRBIPPXZFM-UHFFFAOYSA-N 181.264 0.993 30 20 ACED CC(=O)N[C@H]1CCN(CC#N)[C@@H](C)C1 946933103 RRUGFXBMRWSRAX-WPRPVWTQSA-N 195.266 0.499 30 20 ACED C#CCN(CC1CC1)C(=O)[C@H](O)C=C 1118691738 XEHHAIWFZBNULU-SNVBAGLBSA-N 193.246 0.405 30 20 ACED C=CCNCCNC(=O)C1CC=CC1 1125129020 JCIUGNAGCAQLFA-UHFFFAOYSA-N 194.278 0.844 30 20 ACED C[C@@H](CC(C)(C)O)NC(=O)[C@H](C)C#N 1298058538 MGWGMTZQOHIMQF-SFYZADRCSA-N 198.266 0.812 30 20 ACED C=C[C@@H](COC)NC(=O)N(C)C1CC1 1321256221 GKRIRKCUGFALKP-QMMMGPOBSA-N 198.266 0.991 30 20 ACED C=C1CN(C(=O)[C@]2(C)CC(C)=NO2)C1 1337296475 SXQGFRGOKPXEFJ-JTQLQIEISA-N 194.234 0.940 30 20 ACED C#CC(=O)NCc1nccn1C(F)F 1342759274 XHQLXXSKXHRBLU-UHFFFAOYSA-N 199.160 0.528 30 20 ACED C#C[C@@H](CC)NC(=O)[C@H]1CCC[C@H]1N 1574486446 OEQKSIKVAVEJJB-LPEHRKFASA-N 194.278 0.642 30 20 ACED CC(C)[C@H](C#N)OC(=O)CCC(=O)O 1602961434 XNOGEZBFHJZRQC-ZETCQYMHSA-N 199.206 0.943 30 20 ACED C#CCN[C@H](C)CCNC(=O)CC 1753000934 PNVZKJNAHDTTAB-SECBINFHSA-N 182.267 0.514 30 20 ACED N#CCN1CCCC[C@@H]1CCO 19432594 IWZWNBIYSKLLIC-SECBINFHSA-N 168.240 0.747 30 20 ACED CC[C@H](CC#N)NC[C@@H]1COCCO1 38061603 ZNGYTCLLHXCLPX-NXEZZACHSA-N 198.266 0.684 30 20 ACED CCOCC(=O)N[C@](C)(C#N)CC 40357457 IKZGRRLDDWYRLE-VIFPVBQESA-N 184.239 0.831 30 20 ACED CCN(CC)C[C@H](C)NC(=O)CC#N 41680683 SLZXUHRMVAIWDL-VIFPVBQESA-N 197.282 0.747 30 20 ACED O=C(CC[C@@H]1CCCCO1)NO 68991791 HHEDKUSZDZXUNR-ZETCQYMHSA-N 173.212 0.841 30 20 ACED N#CCNC(=O)[C@@H]1CCCS1 69982083 RAPPQIYHTOKVIY-LURJTMIESA-N 170.237 0.522 30 20 ACED C[C@@H]1OCC[C@@H]1C(=O)NCCCC#N 86757612 GDFWJDOYBMOEDD-IUCAKERBSA-N 196.250 0.831 30 20 ACED CO[C@@H](C)C(=O)NC[C@H](C)C#N 160620006 CZTDZKCEUXDECX-RQJHMYQMSA-N 170.212 0.297 30 20 ACED CC#CCC(=O)CNC1CC1 168271554 XOVRCYWENXZSNF-UHFFFAOYSA-N 151.209 0.721 30 20 ACED CC/C=C(\C)C(=O)NCC#N 216718756 SWEQILOQDFZSCJ-QPJJXVBHSA-N 152.197 0.982 30 20 ACED CC[C@@H](CO)NC(=O)C(C)(C)C#N 217851708 QJCYKSXUAAWTRX-ZETCQYMHSA-N 184.239 0.423 30 20 ACED C[C@H]1CCN(CCCC#N)[C@@H]1CO 227007462 LWDTVIQWAFRJFS-VHSXEESVSA-N 182.267 0.993 30 20 ACED C#CCCCCNC[C@@H](O)COC 229686007 QSVWDZIMFTXAGD-SNVBAGLBSA-N 185.267 0.387 30 20 ACED C#C[C@H](CC)NC(=O)CN(C)C 234038297 XBMJJQHYFBHSQB-MRVPVSSYSA-N 168.240 0.076 30 20 ACED N#Cc1cnc2c(O)ncnc2c1 238711826 HHFQJMAEEXSOTF-UHFFFAOYSA-N 172.147 0.602 30 20 ACED N#CCCNC(=O)NC[C@H]1CCCO1 243440400 NBMCWDDADMRHNF-MRVPVSSYSA-N 197.238 0.378 30 20 ACED C(=NN1CCOCC1)c1ccncc1 254772158 UDUQKJKAQJWDAB-UHFFFAOYSA-N 191.234 0.748 30 20 ACED COC(=O)C#C[C@H]1CCCCN1 258244296 QGVCQAVRDZBLHH-MRVPVSSYSA-N 167.208 0.305 30 20 ACED Cn1nc2c(c1C#N)COCC2 258565498 RCSYVWRQLOFQHV-UHFFFAOYSA-N 163.180 0.364 30 20 ACED C#CC(=O)Nc1cncnc1 306240493 TXESHMASCPAYRG-UHFFFAOYSA-N 147.137 0.048 30 20 ACED CC[C@H](C)C(=O)N[C@H]1CNC[C@@H]1C#N 306503128 HPWZCJUERRWQKA-CIUDSAMLSA-N 195.266 0.260 30 20 ACED COC(=O)[C@@]1(F)CCN(CC#N)C1 306663291 QNXAGARWPCDWNJ-MRVPVSSYSA-N 186.186 0.097 30 20 ACED C[C@@H](O)CN1CCC[C@@](C)(C#N)C1 307460554 HNXRDSZWEDZULM-ZJUUUORDSA-N 182.267 0.993 30 20 ACED CC1=NN(C)C(=O)[C@@H]1CCC#N 307568305 VSHVOKMLLQWBTQ-SSDOTTSWSA-N 165.196 0.754 30 20 ACED C=C[C@@H](C)NC(=O)CN(C)C 307625959 PWQUPDWNMAQMGV-SSDOTTSWSA-N 156.229 0.239 30 20 ACED C#CCN(CC)C(=O)CSCC#N 308391840 ZZWOVYOKDKOQHF-UHFFFAOYSA-N 196.275 0.725 30 20 ACED C#CC(C)(C)NC(=O)OCCOC 308402271 JGZSTBPJGLUKDL-UHFFFAOYSA-N 185.223 0.771 30 20 ACED C=CCCCCNCCC(N)=O 379316355 YJMPZBUPFXTMJW-UHFFFAOYSA-N 170.256 0.808 30 20 ACED C[C@H](CC#N)N(C)Cc1nc[nH]n1 379387054 ZTNZEEUZLRFUPS-SSDOTTSWSA-N 179.227 0.539 30 20 ACED C#CCCS(=O)(=O)N[C@@H](C#C)CC 379390054 MVXJGKWBFKFPGC-VIFPVBQESA-N 199.275 0.341 30 20 ACED C#CC(=O)NCCC(=O)OCCC 379415430 PVYCOSWVKDRTBY-UHFFFAOYSA-N 183.207 0.079 30 20 ACED C#C[C@@](C)(CC)NC(=O)CC(=O)O 384138928 CVEAZVTZLJAOKH-VIFPVBQESA-N 183.207 0.379 30 20 ACED CC#CC(=O)NC[C@H](C)C[C@@H](C)O 388772965 HNEDMIFXYXDLFK-RKDXNWHRSA-N 183.251 0.533 30 20 ACED C=C(C)CN(C)CC(=O)N1CCC1 388843404 YVQHXCUDRPKFSI-UHFFFAOYSA-N 182.267 0.727 30 20 ACED C=C[C@@H](C)NC(=O)CN(C)C(C)=O 388934852 VGGTUHCWNBSUEV-SSDOTTSWSA-N 184.239 0.155 30 20 ACED C#CCC[C@@H](F)CNC 585142641 RESPUUIJSGWAAO-SSDOTTSWSA-N 129.178 0.957 30 20 ACED C=CCOCC(=O)N1CCC[C@@H](O)C1 591126885 RUUXPHBFJZAWME-SECBINFHSA-N 199.250 0.172 30 20 ACED C[C@@H](CCC#N)N1CC[C@@H](O)C1 593016715 CMGKRORJRLCMNQ-DTWKUNHWSA-N 168.240 0.745 30 20 ACED C=C[C@](C)(O)C(=O)N(CC)CCC#N 596891425 SBSLOFNWIOTVTQ-JTQLQIEISA-N 196.250 0.686 30 20 ACED Cc1ocnc1C(=O)NC1(C#N)CC1 609990758 KWNLGSXMFXSTNM-UHFFFAOYSA-N 191.190 0.769 30 20 ACED C=C(C)CNC(=O)C1(C(=O)OC)CC1 614637278 AQSXZBJGZUSRMR-UHFFFAOYSA-N 197.234 0.632 30 20 ACED N#CCC(=O)NCC(=O)C1CCCC1 628992604 PLIBJVJYWKOIQD-UHFFFAOYSA-N 194.234 0.776 30 20 ACED C=CCN(C)C(=O)[C@H]1CCCNC1=O 632570151 HWKFUJIZMXDEMB-QMMMGPOBSA-N 196.250 0.157 30 20 ACED CC#CC[C@@H](CO)NC(=O)NC(C)C 645096690 ZAFUJOTYCTZKHO-VIFPVBQESA-N 198.266 0.468 30 20 ACED C=C[C@@H](O)C(=O)N[C@H](CC)COC 646838363 MQUUZABBNNNMHZ-HTQZYQBOSA-N 187.239 0.075 30 20 ACED C=CCCCNC(=O)NCCNC 669573468 RXMDENBHVBXOSP-UHFFFAOYSA-N 185.271 0.471 30 20 ACED CC[C@H](C#N)C(=O)N[C@@H]1COC[C@@H]1C 699815850 BISXOBHGUQIUKU-DJLDLDEBSA-N 196.250 0.687 30 20 ACED C=CCN1CCC(O)(CN(C)C)CC1 710626199 GZYPYIZNNQVZIL-UHFFFAOYSA-N 198.310 0.561 30 20 ACED CC#CCNC1(C(=O)O)CCCC1 738503606 UPZGCCBXBDESPL-UHFFFAOYSA-N 181.235 0.997 30 20 ACED C[C@H](CO)NN=Cc1ccc(C#N)o1 749821598 QCESZUPYTVKPER-SSDOTTSWSA-N 193.206 0.456 30 20 ACED C#CCCN1CCOC[C@H]1C[C@H](C)O 767028235 AZFDOORXFRPEIM-WDEREUQCSA-N 197.278 0.481 30 20 ACED C[C@@H]1CC(=NN[C@H]2CCOC2)CN1C 788452459 OSGPWWLPDGWYIL-BDAKNGLRSA-N 197.282 0.445 30 20 ACED CC#CC(=O)N[C@H]1CC(C)(C)OC1=O 801179532 XZHRAEQADBMVIW-ZETCQYMHSA-N 195.218 0.220 30 20 ACED C#CCON=C(C)C[C@@H]1CCC(=O)N1 812236743 XDCXNTXJNJPXJG-VIFPVBQESA-N 194.234 0.681 30 20 ACED N#CC1CN(C(=O)[C@H]2CCC=CO2)C1 817554243 LLVRRKRCLLQVHN-SECBINFHSA-N 192.218 0.661 30 20 ACED C#C[C@H](C)NC(=O)N1CCCCO1 820412733 OXQMTQCRKXXSBJ-QMMMGPOBSA-N 182.223 0.745 30 20 ACED C[C@@H](C#N)NC(=O)[C@@H](C)CC(=O)O 825966518 FZRXCVKXUBOTEF-WDSKDSINSA-N 184.195 0.125 30 20 ACED C[C@](NCC#N)(C(=O)O)C1CC1 827728195 PZSPNQNZWGTFAA-MRVPVSSYSA-N 168.196 0.353 30 20 ACED C[C@@H]1CC(=NC(=O)c2ncc[nH]2)NO1 831399811 RICLASROTKVRCX-RXMQYKEDSA-N 194.194 0.262 30 20 ACED C#CCCCCNC(=O)N[C@H](C)CN 841861150 UCASCCISVQMZSM-SECBINFHSA-N 197.282 0.436 30 20 ACED C=CCONC(=O)N1CCN[C@H](C)C1 841912805 ACBQKVOTIVZVGQ-MRVPVSSYSA-N 199.254 0.107 30 20 ACED C=CCONC(=O)NC[C@H](N)CC 841913520 OWAVYXKDDAGKBO-SSDOTTSWSA-N 187.243 0.141 30 20 ACED C=C[C@H](O)C(=O)N[C@H]1C=CCC1 855432484 KNODFCRISNETGY-YUMQZZPRSA-N 167.208 0.368 30 20 ACED C=CCCONC(=O)c1cn[nH]c1 856030758 PZDDYXIHRUPRLU-UHFFFAOYSA-N 181.195 0.647 30 20 ACED C=CCCONC(=O)[C@@H](O)C1CC1 856035759 IUHUDIJRMXNLPE-QMMMGPOBSA-N 185.223 0.381 30 20 ACED Cn1ncc([N+](=O)[O-])c1NCCC#N 893544020 IHNFQURGRNVAIG-UHFFFAOYSA-N 195.182 0.654 30 20 ACED C#CCOCCN[C@H]1COC[C@H]1C 926141791 LFBDQBSFQZJYSE-ZJUUUORDSA-N 183.251 0.261 30 20 ACED C#CCN1CC[C@H]1CNC(=O)C1CC1 1037981473 SOEMLMWINQJQLC-JTQLQIEISA-N 192.262 0.220 30 20 ACED COCC#CC(=O)N(C)[C@H](C)CC#N 1261677244 KXYNQCJUFCCVDD-SECBINFHSA-N 194.234 0.397 30 20 ACED C[C@@H](CC#N)NC[C@H](N)CC(F)F 1575914846 MXRJEBYGLUFUPU-NKWVEPMBSA-N 191.225 0.861 30 20 ACED C#CCOC(=O)c1ccc(C(=O)O)o1 1588490610 RITDYSYZOZUHNU-UHFFFAOYSA-N 194.142 0.768 30 20 ACED CC[C@H](C#N)NC(=O)c1cn[nH]c1 61559275 LHSZFXOGPVBDMP-SSDOTTSWSA-N 178.195 0.442 30 20 ACED CS(=O)(=O)N[C@@H]1CCC[C@H]1C#N 61889481 ALQVJIIRWRAQRB-NKWVEPMBSA-N 188.252 0.228 30 20 ACED COC(=O)C#C[C@@H]1CCOC1 70835208 LBGSNUCBLDGFHL-SSDOTTSWSA-N 154.165 0.199 30 20 ACED N#CCC[C@H]1CCNC1 84233237 RYIKRXZPLLICGX-ZETCQYMHSA-N 124.187 0.900 30 20 ACED N#CCCNC(=O)N1CCCC1 85960755 UTAYSGJAYTWZGQ-UHFFFAOYSA-N 167.212 0.705 30 20 ACED COC(C)(C)CNC(=O)[C@H](C)C#N 133074930 MNHDRHWULGVRHV-SSDOTTSWSA-N 184.239 0.687 30 20 ACED C=C[C@@H](C)NC(=O)[C@@H]1CSCN1 157646308 QJVGROMQXIVXCN-RQJHMYQMSA-N 186.280 0.340 30 20 ACED N#Cc1ncc(C=O)cc1F 201268637 XPZAEBDVSIVEBX-UHFFFAOYSA-N 150.112 0.905 30 20 ACED C=C[C@H](C)NC(=O)C1(C(=O)O)CC1 229269666 PPPSYEAMJOGMET-LURJTMIESA-N 183.207 0.542 30 20 ACED C#C[C@@H](CCC)NC(=O)C(C)(C)O 233294600 XOABVLJBWGEIRK-QMMMGPOBSA-N 183.251 0.675 30 20 ACED N#Cc1ccc(CO)[nH]1 299889647 MKQPYWBSNNIQRS-UHFFFAOYSA-N 122.127 0.379 30 20 ACED C#C[C@H](NCCC(N)=O)C(C)C 300959147 QRAJCFFNJDUWAF-QMMMGPOBSA-N 168.240 0.109 30 20 ACED CCOC[C@@]1(C)O[C@H]1C#N 306149815 CAGCFZZXZCDQOU-NKWVEPMBSA-N 141.170 0.704 30 20 ACED C#CCNC(=S)NCc1cocn1 306301183 ZEOKPJHYAHUJTJ-UHFFFAOYSA-N 195.247 0.272 30 20 ACED C[C@H](O)CCNc1ccc(C#N)nn1 306433278 WKMHMDIYZUBROJ-ZETCQYMHSA-N 192.222 0.531 30 20 ACED C=C1CCN(S(=O)(=O)NC)CC1 306488310 UWBXUNZSCMVSTR-UHFFFAOYSA-N 190.268 0.103 30 20 ACED Cc1noc([C@H](C)N(C)CC#N)n1 306491982 WRVNXJZZCZDGQF-LURJTMIESA-N 180.211 0.894 30 20 ACED C=CCC(=O)[C@H](N)C1CC1 306943355 JARVDFOAGYCDNC-MRVPVSSYSA-N 139.198 0.869 30 20 ACED COC[C@]1(C=O)C[C@H]2CC[C@H]1O2 307367145 ODLPPZKYKIVJEJ-IWSPIJDZSA-N 170.208 0.769 30 20 ACED CCCC(=O)N[C@H]1CNC[C@H]1C#N 307404037 CJJMDSZKWAIJCI-SFYZADRCSA-N 181.239 0.014 30 20 ACED COC(=O)CN1CC(C)(C#N)C1 307715269 FVVGDOIXHRKPJT-UHFFFAOYSA-N 168.196 0.005 30 20 ACED 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198.247 0.306 30 20 ACED C#CCOCCn1nc(Cl)nc1C 918561185 NZBRKQIDEZZLGF-UHFFFAOYSA-N 199.641 0.890 30 20 ACED CN1CC[C@H]1CNC(=O)C#CC1CC1 928554885 MBBRXPJIXWTSCF-JTQLQIEISA-N 192.262 0.220 30 20 ACED C#C[C@@H](C)N(C)Cc1cn(CC)nn1 1119771724 NJUIAHJGJPMAKY-SECBINFHSA-N 192.266 0.752 30 20 ACED C[C@H](Cc1cnn(C)c1)C(=O)NO 1332493062 NJEPUMLRERMMIS-ZCFIWIBFSA-N 183.211 0.104 30 20 ACED CC[C@](C)(C#N)NC(=O)[C@H](C)C(=O)O 1603504832 RBMFXSAYBLMALV-IMTBSYHQSA-N 198.222 0.516 30 20 ACED N#Cc1nc(=NC/C=C\Cl)cc[nH]1 1652305262 LKXKMHIOBPYUKO-IWQZZHSRSA-N 194.625 0.935 30 20 ACED C[C@H](CO)Nc1ccc(C#N)cn1 35607017 BGYKMIXYFGXJSO-SSDOTTSWSA-N 177.207 0.746 30 20 ACED COC[C@@H](C)NCCC#N 36723359 YRWOMJWEVCLNJZ-SSDOTTSWSA-N 142.202 0.525 30 20 ACED N#CCNC(=O)Cc1ccsc1 37714312 ABUHJHYWWGRWRB-UHFFFAOYSA-N 180.232 0.930 30 20 ACED C#CCCN1CCCC[C@@H]1CO 49832403 XHISMQJQHKGULO-SNVBAGLBSA-N 167.252 0.857 30 20 ACED C[C@H](CC#N)N(C)C(=O)CCC(=O)O 63087314 OMGLXCILLNWJOM-SSDOTTSWSA-N 198.222 0.612 30 20 ACED CC[C@H](COC)NC(=O)[C@@H](C)C#N 70659228 VBHYTOKQLDWGAG-JGVFFNPUSA-N 184.239 0.687 30 20 ACED C=C(C)[C@H](O)[C@H](C)C(=O)O 75529428 UPOGRPPNKCXUTJ-WDSKDSINSA-N 144.170 0.644 30 20 ACED C#CCNCC(=O)N1C[C@@H](C)[C@@H](C)C1 86157619 XLNUFXGYBZKXAO-AOOOYVTPSA-N 194.278 0.324 30 20 ACED N/C(=N\O)[C@@H]1CCCS1 87699534 PHXRIHFOWYXQPF-BYPYZUCNSA-N 146.215 0.628 30 20 ACED C[C@@H](CCO)NC(=O)[C@@H](C)C#N 123370659 OBCUIDLOCKXHLA-BQBZGAKWSA-N 170.212 0.033 30 20 ACED C#CCN(C)C(=O)c1cccc(F)n1 129929436 JYUJATIWKKAKDC-UHFFFAOYSA-N 192.193 0.926 30 20 ACED C#CCN(C)C(=O)[C@@H]1CCCO1 130676689 XLMOUFSIQXUYBQ-QMMMGPOBSA-N 167.208 0.257 30 20 ACED C#C[C@H](C)NC(=O)c1ccc[nH]1 165289785 YNKCTTGMLRBFDP-ZETCQYMHSA-N 162.192 0.766 30 20 ACED C#CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O 299895120 FPQOPHIDANGCIB-GUBZILKMSA-N 193.246 0.805 30 20 ACED CC#CCCN1C[C@H](C)O[C@H](CO)C1 299919756 WYGHPAYJYQSTPW-QWRGUYRKSA-N 197.278 0.481 30 20 ACED C=CCNC(=O)N1CCC(C)(O)CC1 306280865 FDHKZAFFIPJUNL-UHFFFAOYSA-N 198.266 0.729 30 20 ACED C[C@@H]1[C@@H](C(=O)NCCC#N)C1(F)F 306317078 HROYGZVREONOJU-RITPCOANSA-N 188.177 0.917 30 20 ACED CC[C@@]1(CO)CCCN(CC#N)C1 306459224 BRYVUDLPROTCDR-SNVBAGLBSA-N 182.267 0.994 30 20 ACED Cc1nc(NC(=O)[C@H](C)C#N)n[nH]1 306537161 LENDFGDWUUMOHS-SCSAIBSYSA-N 179.183 0.211 30 20 ACED C=C(C)Cn1ncc([N+](=O)[O-])c1N 307111584 LOCGPIVJIIWQFM-UHFFFAOYSA-N 182.183 0.950 30 20 ACED CNC(=O)N[C@@H]1CC[C@H](C#N)C1 307218542 NHCMBJYTYYZKMV-NKWVEPMBSA-N 167.212 0.608 30 20 ACED C#CCCN1CC[S@](=O)[C@H](C)[C@H]1C 307300290 WCDHYHMZHUWDBM-BREBYQMCSA-N 199.319 0.851 30 20 ACED CNC(=O)[C@@H]1CCC[C@H]1NCC#N 307643682 METZGANYCYFZCL-HTQZYQBOSA-N 181.239 0.014 30 20 ACED CC[C@H](SC)C(=O)NCC#N 307645252 XVJVBDSQFVTFRO-LURJTMIESA-N 172.253 0.768 30 20 ACED CN(CC(C)(C)C#N)S(C)(=O)=O 307713168 ZQCAZCRTTPBCFS-UHFFFAOYSA-N 190.268 0.428 30 20 ACED C#CCOC(=O)[C@@H]1C[C@@H]1OCC 307988040 RZVWHZXWFMMYKO-SFYZADRCSA-N 168.192 0.588 30 20 ACED C#CCC[C@H](O)CNC(=O)C(F)F 308190181 NCSPGBRLCYKDRP-LURJTMIESA-N 191.177 0.142 30 20 ACED Cc1nn(CCC2(O)CC2)cc1C#N 335804543 BORCPFJJYCDPPE-UHFFFAOYSA-N 191.234 0.978 30 20 ACED CC1(C#N)CN(C(=O)c2cc[nH]n2)C1 336086090 ZIYIHBQSDXHNTM-UHFFFAOYSA-N 190.206 0.395 30 20 ACED CON(C)S(=O)(=O)CCCC#N 379334288 LZPWGEXCOCOFAT-UHFFFAOYSA-N 192.240 0.113 30 20 ACED CC#CC(=O)NC[C@H](O)[C@@H](C)CC 379354467 IRPNWJPKEXQRJN-IUCAKERBSA-N 183.251 0.533 30 20 ACED C#C[C@H](C)N(C)CCO[C@@H](C)C#N 379389948 MQNDPGDTHDHKCH-UWVGGRQHSA-N 180.251 0.869 30 20 ACED C=CCOCC(=O)N1CCCCO1 379393964 WCCURAJPWQIMEH-UHFFFAOYSA-N 185.223 0.743 30 20 ACED COC/C=C\C(=O)O[C@H](C)C#N 388399534 MCBPCYQWANZRIM-KFOINNEUSA-N 169.180 0.644 30 20 ACED CC(C)OCCC(=O)NCCC#N 388709674 PGCWLQFOXXKHMS-UHFFFAOYSA-N 184.239 0.831 30 20 ACED COCCOCC(=O)O[C@H](C)C#N 388906864 OLHZEEMZTDAUNU-SSDOTTSWSA-N 187.195 0.105 30 20 ACED C[C@H]1C[C@@H]1C=NNCC(=O)O 393539608 CTIZITNOWHRJSK-NTSWFWBYSA-N 156.185 0.302 30 20 ACED CC/N=C(/NCC)NC[C@@H](C)OC 395570990 MWVQMERFAFTBGQ-MRVPVSSYSA-N 187.287 0.596 30 20 ACED Cc1noc([C@H](C)NCCC#N)n1 591728773 ICAZRYNIVSWHTI-LURJTMIESA-N 180.211 0.942 30 20 ACED N#C[C@H]1CC[C@H](N[C@H]2C[C@H](O)C2)C1 595102853 KAVASULXBSTULB-XKNYDFJKSA-N 180.251 0.792 30 20 ACED C[C@@H](NC(=O)CC#N)C1(CO)CC1 598037419 ZMBVSVKHETUYCH-SSDOTTSWSA-N 182.223 0.177 30 20 ACED C[C@@H](CCN)NC(=O)C1(C#N)CCC1 602487217 VWDZLHFONKWCPK-QMMMGPOBSA-N 195.266 0.534 30 20 ACED COCCCN(CCO)CCC#N 610524908 PDTMMXLKLCNYJK-UHFFFAOYSA-N 186.255 0.231 30 20 ACED CCO[C@H]1C[C@@H]1C(=O)NCCCC#N 612060854 CXDKMWRZYPIXJN-IUCAKERBSA-N 196.250 0.831 30 20 ACED C=C[C@H](C)Nc1cc(=O)n(C)cn1 656146987 SGPGCHJZLMKURZ-ZETCQYMHSA-N 179.223 0.767 30 20 ACED C#CC(=O)NCc1cccnc1OC 692943156 ZPCHHVNEAHCSDR-UHFFFAOYSA-N 190.202 0.340 30 20 ACED C#CCCN(CCC#C)CCOC 697805180 IXNPCLCGAYLDNI-UHFFFAOYSA-N 179.263 0.981 30 20 ACED C=CCOCC(=O)O[C@H](C)C(=O)O 736109693 XCNIYEACMYFFCQ-ZCFIWIBFSA-N 188.179 0.205 30 20 ACED C#CCN(CC#CC)C[C@@H]1CCOC1 743853240 YZRZTYGAGPDPMU-LBPRGKRZSA-N 191.274 0.981 30 20 ACED C#CC(=O)NC[C@@H](C)Cn1cccn1 753943937 PCFYHMRXEMAADC-SECBINFHSA-N 191.234 0.269 30 20 ACED C#CCONC(=O)[C@@H](OC)[C@H](C)CC 812783067 XHEMJBVUHKMZAS-BDAKNGLRSA-N 199.250 0.729 30 20 ACED C=CCN(CCC#N)C(=O)C(=C)CO 816803260 UTLZENQNLMVPRY-UHFFFAOYSA-N 194.234 0.463 30 20 ACED C#C[C@H](C)NC(=O)NCC1(CO)CC1 820428314 PJVITLVCTDVWKV-QMMMGPOBSA-N 196.250 0.080 30 20 ACED C#CCO[C@H](C)C(=O)Nc1cn[nH]c1 822490819 GQYMKYLPXDGMHT-SSDOTTSWSA-N 193.206 0.387 30 20 ACED CON(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 824778332 PRYGJTMXJLGWPT-JGVFFNPUSA-N 197.238 0.881 30 20 ACED C#C[C@@H](CCC)NC(=O)NC[C@@H](C)N 841985156 FIASVLVNZNTHRD-BDAKNGLRSA-N 197.282 0.435 30 20 ACED CC#CC[C@H](CO)NC(=O)/C(C)=C/C 844113568 VAOCWXYODGPZFG-NAZIUFLLSA-N 195.262 0.843 30 20 ACED C=CCN(C)C[C@H]1CCC(=O)O1 851954302 JYKJRQIHIWHGAT-MRVPVSSYSA-N 169.224 0.810 30 20 ACED CCCNC(=O)CON=CC1CC1 853735791 ABEXULSCMIZEOJ-UHFFFAOYSA-N 184.239 0.925 30 20 ACED C=CCCONC(=O)N(C)C 856032877 VRBCMOKBLVQSIK-UHFFFAOYSA-N 158.201 0.765 30 20 ACED C#CCNC(=O)NCCC(C)(C)OC 864417014 POQGWFFYBLFYCF-UHFFFAOYSA-N 198.266 0.734 30 20 ACED C#CCNN=Cc1cn(CCC)nn1 872379747 JXHRYQWDJOZURB-UHFFFAOYSA-N 191.238 0.245 30 20 ACED C#C[C@@H](C)N(C)CCc1cnccn1 878517563 SWNILUGIXISJKL-SNVBAGLBSA-N 189.262 0.973 30 20 ACED C#CCCCN1[C@H](CO)CC[C@H]1CO 878882051 YCNBTVVYEFXVCZ-QWRGUYRKSA-N 197.278 0.217 30 20 ACED C=C[C@@](C)(O)c1cn(CC(C)=O)nn1 880955383 UGJPEYWUIHMTKM-SECBINFHSA-N 195.222 0.261 30 20 ACED C#CCOC(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 923586514 RGBJBZBRQWENDU-BWVDBABLSA-N 178.187 0.388 30 20 ACED N#CCC[C@@H](C#N)CN1CC[C@@H]1CO 934029943 IUCDHXIWNLBQON-VHSXEESVSA-N 193.250 0.497 30 20 ACED C=C(C)CN1C[C@H]2C[C@H]1[C@@H]2NC(C)=O 1037269162 LJDGGRSVWMPNKU-OUAUKWLOSA-N 194.278 0.771 30 20 ACED C=CC(=O)Nc1cnn(CC#N)c1 1120460581 SMVYXRLTRLFKHG-UHFFFAOYSA-N 176.179 0.531 30 20 ACED C#CCOCCNC(=O)[C@@H]1C[C@H]1F 1121089676 BRVRQNMOMHGOFX-HTQZYQBOSA-N 185.198 0.110 30 20 ACED C[C@H](O)[C@@H](C)n1cc(C#N)nn1 1333893229 OZAWMEKUQXIGDO-RITPCOANSA-N 166.184 0.092 30 20 ACED C=C[C@H](CO)Nc1ncc(O)cn1 1338042622 KOJVXGCDTZQNME-ZCFIWIBFSA-N 181.195 0.141 30 20 ACED CC#CC(=O)NCCc1nc(C)no1 1343730820 ASPNMWSLEVQKRU-UHFFFAOYSA-N 193.206 0.060 30 20 ACED C#CC[C@@H](NCC(C)C)C(=O)O 1588423011 UHMKIIOINFRCAU-MRVPVSSYSA-N 169.224 0.709 30 20 ACED N#Cc1nc(F)ccc1OCC(=O)O 1610634149 MUYNNPWPXLWEMU-UHFFFAOYSA-N 196.137 0.556 30 20 ACED C=CCN(C)C(=O)c1cc(C)nn1C 36039990 LZMPCLXKWWGODU-UHFFFAOYSA-N 193.250 0.987 30 20 ACED CN(C(=O)CC#N)C1CCOCC1 36321090 BITUSFUAVZDTRM-UHFFFAOYSA-N 182.223 0.537 30 20 ACED C=CCNC(=O)[C@@H](N)CC 36871446 UYILMQNLVJQLNY-LURJTMIESA-N 142.202 0.026 30 20 ACED CC[C@@H](C#N)NS(=O)(=O)CC 40363429 ZEMJMCMXUKERPH-LURJTMIESA-N 176.241 0.228 30 20 ACED C#CCN[C@@H](C(=O)OC)C(C)C 43442156 UWGZMJFNGKEUNK-MRVPVSSYSA-N 169.224 0.407 30 20 ACED CC(C)CNC(=O)[C@H](C)N(C)CC#N 45049981 FJFDEVAIYUKWAD-VIFPVBQESA-N 197.282 0.602 30 20 ACED CC[C@H](O)CN(C)CC#N 45059962 LLMOBVLOHPYPGX-ZETCQYMHSA-N 142.202 0.213 30 20 ACED COCC(=O)Nc1ccc(C#N)cn1 51952872 TTZWYUSAQNHNKK-UHFFFAOYSA-N 191.190 0.538 30 20 ACED CNC(=O)CCN(C)[C@H](C)CC#N 62801018 RRTHCSVRGGGIIZ-MRVPVSSYSA-N 183.255 0.356 30 20 ACED CN1CCCC[C@@H]1/C(N)=N/O 70211381 DCDZOXABWPEYBT-ZCFIWIBFSA-N 157.217 0.217 30 20 ACED C=CCCC(=O)N[C@H]1CCCNC1 70949559 UQXPEBKROAVJQA-VIFPVBQESA-N 182.267 0.821 30 20 ACED N#Cc1ccc2nc(N)nn2c1 82729100 UISKCCGNUCJJMA-UHFFFAOYSA-N 159.152 0.183 30 20 ACED C#CCNC(=O)CN1CCC(C)(C)C1 91439728 XUEYJWNHPFNEAJ-UHFFFAOYSA-N 194.278 0.468 30 20 ACED C#CCC(=O)[C@@H]1CCCNC1 167709168 UYZFCGDXKDNTGB-MRVPVSSYSA-N 151.209 0.578 30 20 ACED CC/C=C(/C)C(=O)NCC#N 216718805 SWEQILOQDFZSCJ-DAXSKMNVSA-N 152.197 0.982 30 20 ACED C#C[C@@H]1CN(C)C(=O)O1 219132271 CTXDXIPPQLEBOR-RXMQYKEDSA-N 125.127 0.070 30 20 ACED C#CCCCN[C@@H](CC)C(=O)OC 228727919 BMKPLVLGTBUHDJ-VIFPVBQESA-N 183.251 0.941 30 20 ACED C#C[C@H](CC)NCc1ncnn1C 229959480 SBHOFEBBWWGHCQ-MRVPVSSYSA-N 178.239 0.317 30 20 ACED C#CCCCNC(=O)c1cnccn1 231576797 PLHFBYYTFDXIAJ-UHFFFAOYSA-N 189.218 0.620 30 20 ACED N#CCOC(=O)c1cc(O)ccc1O 238720245 COHGIEHRMGWYPS-UHFFFAOYSA-N 193.158 0.778 30 20 ACED C=CCNC(=O)[C@H](CC)C(=O)O 258657295 GKZNJMGTBOEBSB-LURJTMIESA-N 171.196 0.399 30 20 ACED CC(C)[C@H]1C(=O)NCCN1CCC#N 260306566 BLCGOLSZFOSQGW-VIFPVBQESA-N 195.266 0.356 30 20 ACED C#CCNC(=S)Nc1cnn(C)c1 306334213 FVADCJRQJNGZNJ-UHFFFAOYSA-N 194.263 0.340 30 20 ACED C[C@@H](C#N)C(=O)N=S(C)(C)=O 306348586 IDIPIMOONJOCPB-YFKPBYRVSA-N 174.225 0.400 30 20 ACED C=C[C@@](C)(O)CC(=O)NC 306497162 RIEAIDRWGFSLNK-SSDOTTSWSA-N 143.186 0.060 30 20 ACED C=C(CC)CN1CCNC(=O)[C@@H]1C 306508249 AHLWGZCQTGMLBF-VIFPVBQESA-N 182.267 0.773 30 20 ACED C=CCN(C)c1nnc(C)n1C 306848132 MGGPCXJIGYXNLH-UHFFFAOYSA-N 166.228 0.746 30 20 ACED C=CCN1CCNC(=O)[C@@H]1C(C)C 307193622 OCWPSHIRGHVZNH-VIFPVBQESA-N 182.267 0.629 30 20 ACED N#CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1O2 307365752 MHWBGRSUVANYSE-HRDYMLBCSA-N 194.234 0.584 30 20 ACED C#CC(=O)N1CCC[C@@H]1C[C@H](C)O 307415761 VOGSNIXAOPROQP-DTWKUNHWSA-N 181.235 0.382 30 20 ACED N#CC1(NC(=O)c2cnc[nH]2)CC1 307608369 DOLJSEFRBCCJOJ-UHFFFAOYSA-N 176.179 0.196 30 20 ACED CCCNS(=O)(=O)CCCC#N 307975795 KWIBNRVALVHDBM-UHFFFAOYSA-N 190.268 0.620 30 20 ACED CON(C)C(=O)CC(C)(C)C#N 307999227 YGRTVIISTUGKTO-UHFFFAOYSA-N 170.212 0.946 30 20 ACED CC[C@@H](O)CNN=C1CCOC1 308002647 BFAHHAWRULQKEP-MRVPVSSYSA-N 172.228 0.123 30 20 ACED C=C(C)COC(=O)[C@](C)(O)COC 308306348 OFDPCUDSSGUCJA-SECBINFHSA-N 188.223 0.503 30 20 ACED CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)O 308394028 CJQKQZBIHDTQCH-JGVFFNPUSA-N 184.239 0.375 30 20 ACED C[C@H]1CN(C(=O)CC#N)[C@@H](C)CN1C 335278094 ZMDWBTKBGANVTC-IUCAKERBSA-N 195.266 0.451 30 20 ACED C=CCOCCN[C@@H](C)C(=O)O 379331726 FOLTXZQFUDMIKB-ZETCQYMHSA-N 173.212 0.252 30 20 ACED C=CC[C@@H](CO)CNC(=O)/C=C/C 379358734 WGXJUTBEAQRLNY-OTQAPUNGSA-N 183.251 0.863 30 20 ACED C=C[C@H](CO)N[C@H](C)c1ncc[nH]1 379409689 DLWAAXSQKPZBSK-HTQZYQBOSA-N 181.239 0.607 30 20 ACED O=C(O)CNN=Cc1ccccn1 382303875 OFAMHKCUEJCIMZ-UHFFFAOYSA-N 179.179 0.090 30 20 ACED C#C[C@](C)(CC)NCC(=O)NCC 384169601 MKCIHSLTCRKJDY-SNVBAGLBSA-N 182.267 0.514 30 20 ACED C#C[C@](C)(CC)NCc1cnnn1C 384187280 SZZCFTMLEIBOIS-SNVBAGLBSA-N 192.266 0.707 30 20 ACED C[C@H](NCC#N)c1nnnn1C1CC1 389252351 CTYHFXVGKPMONS-LURJTMIESA-N 192.226 0.182 30 20 ACED C#CCNC(=S)N[C@@H](C=C)COC 393715782 PXPDCVSIHZIPLQ-QMMMGPOBSA-N 198.291 0.285 30 20 ACED C#CCC(C)(C)C(=O)N(C)CCO 393718907 GXIGHGVXTVBXCL-UHFFFAOYSA-N 183.251 0.487 30 20 ACED C[C@@H](N)CNc1cncc(C#N)n1 401498808 FXFGAMHWNGCLKX-ZCFIWIBFSA-N 177.211 0.107 30 20 ACED CNC1CN([C@@H](C#N)C2CCCC2)C1 409438600 DGWZOVBCDINODU-NSHDSACASA-N 193.294 0.972 30 20 ACED NCC#Cc1cnn(C(F)F)c1 585142806 ZKLWQHYIIVODDC-UHFFFAOYSA-N 171.150 0.588 30 20 ACED C[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CNC1 591687961 SJKHBKGPUFPXBW-ATZCPNFKSA-N 193.294 0.876 30 20 ACED N#CCC(=O)N1CC(C(F)(F)F)C1 597313798 ZCKPEYHGGMMHCN-UHFFFAOYSA-N 192.140 0.921 30 20 ACED C=C[C@@H](O)C(=O)N[C@@H](CC)CC#N 597508983 VIWQSEGOZUWJMZ-JGVFFNPUSA-N 182.223 0.342 30 20 ACED 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197.278 0.925 30 20 ACED C#C[C@H](C)NC(=O)Cc1cscn1 832424964 ISHCGTABWYXSGL-ZETCQYMHSA-N 194.259 0.824 30 20 ACED C#C[C@@H](CC)NC(=O)[C@@H](O)C1CC1 834385105 BDMGLLRYDIVHPM-IUCAKERBSA-N 181.235 0.285 30 20 ACED C=CCC[C@H](CO)NC(=S)NC 840824693 NDCFANOIFRTSAG-SSDOTTSWSA-N 188.296 0.407 30 20 ACED CC[C@H](C#N)NC(=O)/C=C(/C)COC 844462862 PTHAPZKFPJQQCQ-BZJXQOFCSA-N 196.250 0.997 30 20 ACED O=C1OCCN1N=Cc1cnc[nH]1 863163196 SKZMFEINBNHBMG-UHFFFAOYSA-N 180.167 0.196 30 20 ACED C#CCO[C@H](C)C(=O)N1CC[C@@H]1C 881482078 LMPDSUZMGJGPTF-DTWKUNHWSA-N 181.235 0.646 30 20 ACED C=CCONC(=O)N1C[C@@H]2C[C@H]2C1 889193668 SDLLJYRMHAWMSA-YUMQZZPRSA-N 182.223 0.765 30 20 ACED C=CCCNC(=O)c1nc(CC)no1 902696495 BCUSSYQUTTVWRB-UHFFFAOYSA-N 195.222 0.938 30 20 ACED C=CCS(=O)(=O)[C@H]1CCOC1 905253133 YKVINDRNWUBEJC-ZETCQYMHSA-N 176.237 0.376 30 20 ACED C=CCCNC(=O)N[C@@H]1COC[C@H]1C 923221997 BXYIEUCRDJYOBU-RKDXNWHRSA-N 198.266 0.897 30 20 ACED CC#CCOC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 923575165 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C#CCCNC(=O)N[C@H]1CO[C@H](C)C1 825995849 XPAJSYONNVIXEX-RKDXNWHRSA-N 196.250 0.486 30 20 ACED C#CCN1CC[C@H]2COC(=O)N[C@@H]2C1 830959542 NHPQWGXVWOYABL-DTWKUNHWSA-N 194.234 0.050 30 20 ACED C#CCNN=Cc1ncc(Cl)n1C 835008567 HYMDAVVBURSEMV-UHFFFAOYSA-N 196.641 0.630 30 20 ACED C#C[C@@H](CC)OC(=O)c1cncn1C 835312036 ZSMXQXPGXMUUFQ-QMMMGPOBSA-N 192.218 0.989 30 20 ACED C#CCN(C(=O)/C=C/COC)C1CC1 836805945 KMOVPSCDMMOORQ-SNAWJCMRSA-N 193.246 0.813 30 20 ACED COC/C(C)=C\C(=O)N(C)[C@H](C)C#N 844543828 MPCVOBRHTSFKKR-BZJXQOFCSA-N 196.250 0.950 30 20 ACED C=C(C)CONC(=O)c1cn(C)cn1 846535824 DWEHPHKOUSPQDF-UHFFFAOYSA-N 195.222 0.658 30 20 ACED C/N=C(/NC)N[C@@H]1C[C@H]1C1CCC1 849045176 SALPXGONKKJSDU-DTWKUNHWSA-N 181.283 0.970 30 20 ACED C#CCOCCN1CC[C@H](COC)C1 851780863 LVQNRNSOMAQELD-NSHDSACASA-N 197.278 0.605 30 20 ACED OCC1(CON=CC2CC2)COC1 853735224 OTPRNGDBOPOHHQ-UHFFFAOYSA-N 185.223 0.408 30 20 ACED CCn1ccnc1C=NN1CCC1 872397416 QGAWWXKBSTZPIT-UHFFFAOYSA-N 178.239 0.943 30 20 ACED C#CCCNC(=O)[C@@H](C)[C@@H](O)CC 900707361 CPVGAASJRLPVNS-IUCAKERBSA-N 183.251 0.533 30 20 ACED C[C@@H](C#N)CN(C)CN1CCOC1=O 902076231 PGWODGSTPUVYJZ-QMMMGPOBSA-N 197.238 0.488 30 20 ACED C#CCN(C)C(=O)[C@@H]1[C@@H]2CCC(=O)[C@H]21 907682703 RNGDDNBIRMHNEP-FKTZTGRPSA-N 191.230 0.303 30 20 ACED CCC[C@@H](C#N)NC(=O)[C@@H](O)CCC 931329481 UVUBIKGEEDHFJR-IUCAKERBSA-N 198.266 0.956 30 20 ACED C#CCCN1C[C@@H]2C(NC(C)=O)[C@H]2C1 957996747 OXOXZDUPNBVOKY-UWVGGRQHSA-N 192.262 0.076 30 20 ACED CN(CC#N)C(=O)[C@@H]1C[C@H]1F 1263723470 XTSZONLAMUXCGK-PHDIDXHHSA-N 156.160 0.326 30 20 ACED C#CC(=O)NC[C@@H]1CCCN(CC)C1 1334858883 KQQZGBUMVXDNND-JTQLQIEISA-N 194.278 0.468 30 20 ACED N#CCNC(=O)C1(C(=O)O)CC=CC1 1594610352 XBIJYIUQPUQRCZ-UHFFFAOYSA-N 194.190 0.047 30 20 ACED C=CCNC(=S)NCCCO 5517608 PJKIGTHJHHUQOL-UHFFFAOYSA-N 174.269 0.019 30 20 ACED CC[C@@H]1CN(C(=O)CC#N)CCO1 37504509 KPXFUMVZXQMDNU-MRVPVSSYSA-N 182.223 0.537 30 20 ACED C[C@@H](C#N)NC(=O)[C@H]1C[C@@H]1C 40350599 UVBCVZWRKUHQMH-ACZMJKKPSA-N 152.197 0.671 30 20 ACED C[C@H](CCN(C)C)NC(=O)[C@H](C)C#N 44825969 PCKZBLOOVSGMKV-RKDXNWHRSA-N 197.282 0.602 30 20 ACED C=C(Cl)CN(CCO)CCO 49753708 VFVYEWRHPTXSBR-UHFFFAOYSA-N 179.647 0.026 30 20 ACED C[C@@H](CC#N)N(C)C(=O)CNC1CC1 63093391 XONNPFRMQYVDIJ-QMMMGPOBSA-N 195.266 0.499 30 20 ACED N#Cc1ccc2c(c1)OCC(=O)N2 83272215 OPZUJNUBSIYPRD-UHFFFAOYSA-N 174.159 0.889 30 20 ACED C#CCNCC(=O)N[C@H](C)C1CCC1 124130596 UFZREPPDRUUGOZ-SECBINFHSA-N 194.278 0.514 30 20 ACED C=CC[C@H](NC(=O)[C@H]1C[C@@H]1C)C(=O)O 127478994 YKLNENAEIAYUHJ-FXQIFTODSA-N 197.234 0.788 30 20 ACED C=C(C)CNC(=O)CN(C)C(C)=O 160672243 IITHWYHACWAWLI-UHFFFAOYSA-N 184.239 0.157 30 20 ACED CC[C@@H](C#N)C(=O)NC[C@H](C)OC 224216955 WEGYJMXEIJMOKE-YUMQZZPRSA-N 184.239 0.687 30 20 ACED COC[C@@H](CNCCC#N)OC 234786426 LVJKSMBKYDWMJU-MRVPVSSYSA-N 172.228 0.151 30 20 ACED C#CCNC(=S)N1CC(F)C1 306215158 OHBQPYDAKJYISI-UHFFFAOYSA-N 172.228 0.148 30 20 ACED C#CC(=O)NC[C@@H](CC)OC 307569764 WSWGAIZVTMZMHH-SSDOTTSWSA-N 155.197 0.161 30 20 ACED C#CCC(C)(C)C(=O)NOC 307730785 ITKPOKJUKBMPHK-UHFFFAOYSA-N 155.197 0.714 30 20 ACED C[C@@]1(C#N)CCCN(C(N)=O)C1 307750580 KMTZDXCYJPWOJW-QMMMGPOBSA-N 167.212 0.691 30 20 ACED C#CCNC(=O)CS[C@@H](C)C(C)=O 308298693 KYTYUKIPKGGTJU-QMMMGPOBSA-N 199.275 0.447 30 20 ACED CC#CCCSc1n[nH]c(CO)n1 308347506 WLAVWHFBCFKRFD-UHFFFAOYSA-N 197.263 0.803 30 20 ACED C#CCOCCC(=O)N(CC)CC 308367127 OOBSEHATWBHUIT-UHFFFAOYSA-N 183.251 0.895 30 20 ACED COCCN(C)N=Cc1cnc[nH]1 308378263 TYDMGNVZLHMUMF-UHFFFAOYSA-N 182.227 0.322 30 20 ACED N#CCCCC(=O)N1CCC(=O)CC1 334310268 OPTVTZIATMLFMF-UHFFFAOYSA-N 194.234 0.872 30 20 ACED C=CCCC(=O)N1CCOC[C@H]1C#N 335384465 QWIFLFCSMAZJBK-SECBINFHSA-N 194.234 0.704 30 20 ACED Cc1ccn(C[C@@H](C)O)c(=O)c1C#N 335702000 ZIMINXFGONCPQC-MRVPVSSYSA-N 192.218 0.409 30 20 ACED CC(=NNC[C@H](C)O)c1nccs1 378868821 IMTRDGGXCAEMDC-LURJTMIESA-N 199.279 0.838 30 20 ACED Cn1nncc1C=NNCC(F)F 379369401 DQYZFUKRGPCTQJ-UHFFFAOYSA-N 189.169 0.004 30 20 ACED CC(=NNC[C@H](C)O)c1ncc[nH]1 382274312 BZFLUWGZJQOXIB-LURJTMIESA-N 182.227 0.104 30 20 ACED C#CCCN(C1CC1)[C@@H](C)C(=O)O 383020441 GISKXEQNMVCSDM-QMMMGPOBSA-N 181.235 0.947 30 20 ACED C=C[C@@H](C)ONC(=O)CNCC1CC1 400979631 IZRCHCBOXWANGR-MRVPVSSYSA-N 198.266 0.608 30 20 ACED O=C[C@]12COC[C@H]1C2 409428966 BTMRTZQGZHCQLQ-PHDIDXHHSA-N 112.128 0.222 30 20 ACED CC[C@@H](C#N)N1CC(NC)C1 409441565 PSVJNUGVFFGHKI-QMMMGPOBSA-N 153.229 0.192 30 20 ACED CCO[C@H]1COCC[C@@H]1NCCC#N 591760099 HPPAHVMHMXSHHP-UWVGGRQHSA-N 198.266 0.684 30 20 ACED N#Cc1cncc(N2CC(C#N)C2)n1 591943720 WVVQOVYUHGVMFA-UHFFFAOYSA-N 185.190 0.308 30 20 ACED CC[C@H](C#N)C(=O)N[C@@H]1C[C@]1(C)OC 598459150 QKUMYPIGZHTHFS-MRTMQBJTSA-N 196.250 0.830 30 20 ACED CO[C@H](C(=O)N(C)[C@H](C)C#N)C1CC1 602423485 UMIVGYOKPYUDBI-APPZFPTMSA-N 196.250 0.782 30 20 ACED N#Cc1ncn(CC2(O)CCC2)n1 606254231 JHPQKOIDBRKSTI-UHFFFAOYSA-N 178.195 0.065 30 20 ACED C#CC(=O)N[C@@H](C)c1cnn(C)c1C 606263438 IORWONPNQJMTBD-ZETCQYMHSA-N 191.234 0.539 30 20 ACED CCN(CCC#N)C(=O)C1(O)CCC1 612426428 FDLJBSTXKUGHDM-UHFFFAOYSA-N 196.250 0.664 30 20 ACED C=CCNC(=O)[C@@H](C)Cc1cnc[nH]1 654371273 MLELMTCNWSQGRS-QMMMGPOBSA-N 193.250 0.891 30 20 ACED C=CCCCNC(=O)N(C)CCCN 669573377 VBWSBTZOEUZRTQ-UHFFFAOYSA-N 199.298 0.943 30 20 ACED CC#CCNC(=O)CCn1ccnc1 677813267 MIRPOPHSYAOICW-UHFFFAOYSA-N 191.234 0.413 30 20 ACED C#CCCCN1CC[C@H](CC(N)=O)C1 690715762 QMABCSSWEAWZIM-SNVBAGLBSA-N 194.278 0.597 30 20 ACED C=C[C@H](CO)NC/C=C(\C)C(=O)OC 717515218 KFVWNLYOJZNBAL-WHXYTISESA-N 199.250 0.242 30 20 ACED C#CC[C@H](CO)N[C@H](C)[C@@H](C)OC 717751610 YNSDAKRVIDXBLZ-OPRDCNLKSA-N 185.267 0.384 30 20 ACED CC#CCOC(=O)C(C)(C)NC(C)=O 744934602 QTMQBIHCPGFQAY-UHFFFAOYSA-N 197.234 0.468 30 20 ACED C#CC(=O)NCc1cn2ccccc2n1 753897712 YOHMXBRXEORFOO-UHFFFAOYSA-N 199.213 0.584 30 20 ACED C#CCCCC(=O)NC[C@@H](O)C1CC1 760434462 UUFLRQNZXFRQLW-SNVBAGLBSA-N 195.262 0.677 30 20 ACED C#CCCN1CC[C@](C)(C(=O)OC)C1 760848346 XARBKATYGAMVNL-NSHDSACASA-N 195.262 0.895 30 20 ACED CC[C@@H](CO)C(=O)N(C)[C@H](C)CC#N 779623396 MVTVFBCSFGHRNE-BDAKNGLRSA-N 198.266 0.765 30 20 ACED CC[C@H](CO)C(=O)NCC(C)(C)C#N 779833500 CJZOSPCRAPRQRA-MRVPVSSYSA-N 198.266 0.671 30 20 ACED CC(C[C@@H]1CCC(=O)N1)=NNC1CC1 811647218 BBYNYFOEKRSDMI-VIFPVBQESA-N 195.266 0.783 30 20 ACED C#CCONC(=O)[C@@H](OC)[C@@H](C)CC 812783069 XHEMJBVUHKMZAS-IUCAKERBSA-N 199.250 0.729 30 20 ACED Cc1cc(C=NN(C)[C@H](C)CO)no1 842537442 BARWNYMUZSWUEX-SSDOTTSWSA-N 197.238 0.630 30 20 ACED C=C[C@H](C)ON1C(=O)CN(CC)C1=O 843312737 AICSAFOYCUBRMK-ZETCQYMHSA-N 198.222 0.777 30 20 ACED C#C[C@H](CC)NC(=N)NCCOC 849022415 XUXVUISRLFYETI-MRVPVSSYSA-N 183.255 0.159 30 20 ACED CON=Cc1cnc2n1CCC2 853290322 ZOVIJGAYNSZIOV-UHFFFAOYSA-N 165.196 0.810 30 20 ACED C[C@H]1CC(=NNCC(C)(C)O)CO1 863136811 LOVVJZGFHJLHSH-ZETCQYMHSA-N 186.255 0.512 30 20 ACED N#CCCNCCO[C@@H]1CCOC1 905610988 WVGBKPQVHBKKLU-SECBINFHSA-N 184.239 0.295 30 20 ACED C=C[C@](C)(O)C(=O)N1CC=CC1 910017715 KNQJFPQPQQGLQI-VIFPVBQESA-N 167.208 0.322 30 20 ACED CC#CCCNC(=O)[C@@H](C)CC(=O)O 911408356 LISBAOUWYLJZAZ-QMMMGPOBSA-N 197.234 0.627 30 20 ACED C#CCNC(=O)NCc1cc(C)on1 920235754 WFDHCZSXQFVBCS-UHFFFAOYSA-N 193.206 0.415 30 20 ACED CN(CCC1CC1)C[C@H](O)CC#N 930064102 FIHORDNJNCYGJT-SNVBAGLBSA-N 182.267 0.993 30 20 ACED C=C(C)CN1CC[C@@H]1CO 934016021 RSQNVDPZBNRYIY-MRVPVSSYSA-N 141.214 0.629 30 20 ACED C#CCCN1CCC[C@@H]1CNC(C)=O 1027711034 FHINRBXYFNCYLL-LLVKDONJSA-N 194.278 0.610 30 20 ACED COC1CCN(C(=O)CC#N)CC1 37266814 RTAUQZSJKIGHKR-UHFFFAOYSA-N 182.223 0.537 30 20 ACED CN(CC(N)=O)c1ccc(C#N)cc1 37269149 QWEMKFGYEWSYFK-UHFFFAOYSA-N 189.218 0.480 30 20 ACED N#CCCNC(=O)[C@H]1CCCS1 69982386 KTEMCOCLGWGGCC-SSDOTTSWSA-N 184.264 0.912 30 20 ACED C[C@H](C#N)C(=O)NCc1nccn1C 70855053 DTLPUKARIQCYED-SSDOTTSWSA-N 192.222 0.196 30 20 ACED CCC(=O)N1CCO[C@@H](C#N)C1 82473525 DLPODASHAXYWPX-ZETCQYMHSA-N 168.196 0.147 30 20 ACED C=CCCN[C@H]1CCOC1 87786502 UHRXVKSJKLEPOZ-QMMMGPOBSA-N 141.214 0.941 30 20 ACED N#C[C@@H](C(=O)O)c1ccc(F)cn1 98179622 RSYKQUGTIZTQLB-ZCFIWIBFSA-N 180.138 0.912 30 20 ACED CC#CCCNC[C@@H](O)COCC 125696590 MHDVWRGOSBVIJE-SNVBAGLBSA-N 185.267 0.387 30 20 ACED CC#CCCN[C@@H](C)[C@H](C)O 125729877 WKJGPWPUJYFPOF-IUCAKERBSA-N 155.241 0.759 30 20 ACED C=CC(=O)C[C@H]1CNCCO1 135422789 KJZHJDBJETXFLL-QMMMGPOBSA-N 155.197 0.120 30 20 ACED C[C@@H](C[C@@H](C)O)NCCC#N 164693075 KNRZGALXGHJZSL-JGVFFNPUSA-N 156.229 0.649 30 20 ACED C#C[C@@H](C)NC(=O)[C@@](C)(N)CC 166766914 YGHIOZHLTQJBEI-APPZFPTMSA-N 168.240 0.252 30 20 ACED C=C(C)CCN1CCO[C@H](C(=O)O)C1 169070313 YPWBNILAIHLSRY-VIFPVBQESA-N 199.250 0.738 30 20 ACED C[C@H](O)CNC(=O)C1(C#N)CCCC1 219502224 UPOTZYMZFIOENO-QMMMGPOBSA-N 196.250 0.567 30 20 ACED C=C[C@H](C)NC(=O)C(F)F 235524282 RJONUWMZIPSFKJ-BYPYZUCNSA-N 149.140 0.942 30 20 ACED C[C@@H](C#N)SCC(N)=O 300866625 WKHKOWYQTCLTLE-BYPYZUCNSA-N 144.199 0.117 30 20 ACED C=C[C@H](C(=O)OC)N1CC[C@H](OC)C1 301047361 PKQAXMJDWPDWBE-DTWKUNHWSA-N 199.250 0.435 30 20 ACED C[C@@H]1[C@H](C(=O)NCC#N)C1(F)F 306543017 ZOFGCUAHSKQINS-RFZPGFLSSA-N 174.150 0.527 30 20 ACED C=C[C@@H](C(=O)O)N1C[C@@H](O)C(C)(C)C1 306627774 JAMOCERRXQAMTP-JGVFFNPUSA-N 199.250 0.328 30 20 ACED CC[C@@H](O)CNc1ncncc1C#N 306695800 VSHSQDUFWKEEDR-MRVPVSSYSA-N 192.222 0.531 30 20 ACED C=CCN[C@@H]1C(=O)NCC[C@@H]1C 306883805 PHBIDFSYUSCKAC-YUMQZZPRSA-N 168.240 0.287 30 20 ACED C#CC(=O)NC[C@H](O)c1ccco1 306884457 QKXOPCKMFMFUAD-ZETCQYMHSA-N 179.175 0.062 30 20 ACED C#CCN[C@@H]1CSC[C@@H]1C 307274571 NQRFZEWYNNQLRY-JGVFFNPUSA-N 155.266 0.961 30 20 ACED C#C[C@](C)(CC)NC(=O)[C@H]1CCOC1 307596932 NBCRLVNPTIVLQR-GXSJLCMTSA-N 195.262 0.941 30 20 ACED C=C[C@H](C)ONC(=O)CC#N 307706480 XKIDTDBPLXCIHF-LURJTMIESA-N 154.169 0.522 30 20 ACED C#CCOC(=O)c1ccnn1C 307757666 MBJORQIDWIWVFA-UHFFFAOYSA-N 164.164 0.210 30 20 ACED C#CCCN[C@@H]1CCC[C@@H]1C(=O)NC 308529808 RLQGSLNJYJLABS-VHSXEESVSA-N 194.278 0.514 30 20 ACED C=CCC[C@@H](CO)NCc1cnc[nH]1 320276336 MSBKSPRDJGGJQV-VIFPVBQESA-N 195.266 0.826 30 20 ACED C[C@H]1C(=O)NCCN1CC1(C#N)CC1 334256218 MFDWKLHYYSVMSZ-QMMMGPOBSA-N 193.250 0.110 30 20 ACED 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0.218 30 20 ACED C=CCN1CCN([C@@H]2CCOC2)CC1 677475240 MKOXHXZKVWHNCY-LLVKDONJSA-N 196.294 0.579 30 20 ACED CC#CCNC(=O)CCCCN(C)C 677840715 USITVZPUPSXOMX-UHFFFAOYSA-N 196.294 0.858 30 20 ACED C#CC1CCN(C(=O)COCC)CC1 692391030 YEJUYNUZAFBPIH-UHFFFAOYSA-N 195.262 0.895 30 20 ACED C[C@H](NCCCC#N)c1cn(C)nn1 720602795 NQFMUUMMNQMXEW-QMMMGPOBSA-N 193.254 0.769 30 20 ACED CC(C)[C@H](NC(=O)[C@H](C)C#N)C(=O)O 736202404 NHJARTXNQSCBBA-RQJHMYQMSA-N 198.222 0.371 30 20 ACED C=CCN(CC(=O)OCC)C(=O)O 738490271 PMYWOCUOURABFK-UHFFFAOYSA-N 187.195 0.716 30 20 ACED C#CCCn1ccc(=O)c([N+](=O)[O-])c1 751785955 XEAYADAMKYFUOO-UHFFFAOYSA-N 192.174 0.780 30 20 ACED C#CCCCC(=O)NCCC(=O)OC 760102945 FCCZCVPNHRCKHW-UHFFFAOYSA-N 197.234 0.469 30 20 ACED C#C[C@@H](C)OC(=O)[C@H]1CCNC(=O)C1 761209924 DGTJJAZBCZDWDN-SFYZADRCSA-N 195.218 0.078 30 20 ACED C#CC(=O)Nc1cc(CCC)nn1C 772895476 JEKNPCPARWYBDE-UHFFFAOYSA-N 191.234 0.944 30 20 ACED C#CCOCCNC(=O)NC1CCC1 784301736 HAOUEOFBLJAVQM-UHFFFAOYSA-N 196.250 0.488 30 20 ACED C#CCN1C[C@H](C)O[C@]2(CCOC2)C1 796560258 SYGRPCHCMKSGBC-WDEREUQCSA-N 195.262 0.499 30 20 ACED C=C[C@H](O)C(=O)NCc1ncc(C)o1 829388792 TVUNUVOFOAEMQW-ZETCQYMHSA-N 196.206 0.146 30 20 ACED C=C[C@H](O)C(=O)N[C@H]1CC[C@H](C)C1 832653501 AZOFVCSWVHMUNB-CIUDSAMLSA-N 183.251 0.838 30 20 ACED C#CCNC(=O)NC[C@@H]1CC[C@H](C)O1 837362695 JGPHITQGIYWQGW-IUCAKERBSA-N 196.250 0.486 30 20 ACED C#CCOCCN(C)C1(CO)CC1 852043650 GBEBDZWIORWNQG-UHFFFAOYSA-N 183.251 0.093 30 20 ACED C#CCCOC(=O)N1CCCOCC1 858925022 XFLPTLAZEPEGAB-UHFFFAOYSA-N 197.234 0.869 30 20 ACED CC(C)(C)C#CC(=O)N[C@@H]1CCNC1 876509304 BAZQLBFVTLPTAK-SECBINFHSA-N 194.278 0.514 30 20 ACED C#CCSCC(=O)O[C@H](C)C#C 892724586 VFMGLCGZCMIONU-MRVPVSSYSA-N 182.244 0.918 30 20 ACED C#C[C@H](C)NC(=O)[C@H](C(=O)O)C(C)C 911391280 CSCLNXXAVHCMNC-JGVFFNPUSA-N 197.234 0.481 30 20 ACED C=CCNC(=O)N1CC[C@H](OCC)C1 913840263 RVWTUFAKEIOYRS-VIFPVBQESA-N 198.266 0.993 30 20 ACED CC#CCN1CC(NC(=O)C2CC2)C1 1030041137 ISPYZAMMURWNDG-UHFFFAOYSA-N 192.262 0.220 30 20 ACED C=CCNCCNC(=O)C1(C)CC1 1127845284 BUGBUJZZXIBDIQ-UHFFFAOYSA-N 182.267 0.678 30 20 ACED C#CCNC(=O)NC/C=C/C1CC1 1328106990 WWYDUVAHCRRASX-ONEGZZNKSA-N 178.235 0.885 30 20 ACED COCC#CC(=O)NC[C@@H](C)COC 1328187411 ZFJMQOBPDBFHQR-SECBINFHSA-N 199.250 0.035 30 20 ACED C#CCOCCNc1cc(N)ncn1 1336577802 QKKUPVPYFHHVGB-UHFFFAOYSA-N 192.222 0.121 30 20 ACED C#C[C@@H](C)N(C)C(=O)[C@@H]1CCCN1 1573307629 UUCCHESUMLDXGT-BDAKNGLRSA-N 180.251 0.219 30 20 ACED COCCCN[C@H](C)CC#N 37871370 OXCJNSBXOBYGAG-MRVPVSSYSA-N 156.229 0.915 30 20 ACED Cc1ncsc1/C(N)=N\O 39134447 VJGQEAPLTAELJO-UHFFFAOYSA-N 157.198 0.546 30 20 ACED COC(=O)CN(C)CCCC#N 49900402 PRPJWVFJTXQDRE-UHFFFAOYSA-N 170.212 0.395 30 20 ACED COC(=O)[C@@H](C)N1CCC(C#N)CC1 70212647 SNXCOFGYKZHVPC-MRVPVSSYSA-N 196.250 0.783 30 20 ACED CN(C)[C@@H]1CCCN(CCC#N)C1 82681506 UMCSMONZYWBMPY-SNVBAGLBSA-N 181.283 0.926 30 20 ACED CC#CCN1C[C@H]2CNC[C@@H]2C1 83825795 PRYDABUXWJMVCP-NXEZZACHSA-N 164.252 0.161 30 20 ACED C=CCN1CCN(c2ncc[nH]2)CC1 150284540 FRPSCPBZFICCLK-UHFFFAOYSA-N 192.266 0.718 30 20 ACED C#CCCCOC1CNC1 163143509 ALMVBWUWURNQSQ-UHFFFAOYSA-N 139.198 0.388 30 20 ACED O=C(NO)c1cccc2c1OCO2 167965728 HWJYJRHEEBDKQS-UHFFFAOYSA-N 181.147 0.534 30 20 ACED CC#CCNc1nc(C(=O)O)co1 167983472 WLIXOVVVTXXTAK-UHFFFAOYSA-N 180.163 0.808 30 20 ACED N#Cc1cnc(Cl)nc1C(=O)O 211746837 CYUYEOYGDHOMFE-UHFFFAOYSA-N 183.554 0.700 30 20 ACED C#CC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)O)C2 227747046 PLTIRYNOAHURLM-FXQIFTODSA-N 193.202 0.084 30 20 ACED C[C@@H](C#N)CNC(=O)C(F)F 235461404 MFAKGGKSJILEOB-BYPYZUCNSA-N 162.139 0.527 30 20 ACED N#CCOc1cncnc1 261017274 XVGPGFMLEPAJLV-UHFFFAOYSA-N 135.126 0.379 30 20 ACED C=C[C@H](C(=O)O)N1CCC[C@@H](O)C1 300937096 CWOOYXKZZPPQBY-HTQZYQBOSA-N 185.223 0.082 30 20 ACED C=C[C@@H](Sc1ncnn1C)C(=O)O 301043082 XDGLRNUAPCSRIT-RXMQYKEDSA-N 199.235 0.546 30 20 ACED COC(=O)[C@H](C)N1CC(C)(C#N)C1 306287803 LRHYKPNBSNJLJT-ZETCQYMHSA-N 182.223 0.393 30 20 ACED Cc1c[nH]cc1C(=O)N[C@H](C)C#N 306359031 BUCHLJJLDXDQTD-SSDOTTSWSA-N 177.207 0.965 30 20 ACED C#C[C@@H](C)N(C)C(=O)c1cocn1 307185221 RXEDKIIMXXTZSL-SSDOTTSWSA-N 178.191 0.768 30 20 ACED C#CCN(C)c1nnc(C)n1C 307711097 RZJLTITXIQIUTM-UHFFFAOYSA-N 164.212 0.193 30 20 ACED CC[C@@H](C)N(CC#N)CCO 307913732 ZVPHDVROPZAXCO-MRVPVSSYSA-N 156.229 0.603 30 20 ACED C#CCONC(=O)[C@@H](C)C(C)C 307962747 YLHGMHDZVXEEBM-QMMMGPOBSA-N 169.224 0.960 30 20 ACED C=CC[C@@H](C)NC(=O)CNC(C)=O 308254567 JTAAVBXQGPUKMU-SSDOTTSWSA-N 184.239 0.203 30 20 ACED Cc1cc(CNC[C@@H](C)C#N)[nH]n1 308260575 NCLUBPPIATYUMH-ZETCQYMHSA-N 178.239 0.967 30 20 ACED C#CCN(CC#CC)C[C@H](O)CC 308276495 WACGVDYKFBOGFM-LLVKDONJSA-N 179.263 0.716 30 20 ACED COCCn1cc(C=NOC)cn1 308429449 SRHODACXKLTLIX-UHFFFAOYSA-N 183.211 0.510 30 20 ACED C[C@@H](O)C[C@@H]1CCCN1C(=O)CC#N 335557199 SYYUDWSXBQCDOM-BDAKNGLRSA-N 196.250 0.662 30 20 ACED C=CCNC(=O)CNC1CC(OC)C1 379591916 XYFHFBHKRRPWTB-UHFFFAOYSA-N 198.266 0.056 30 20 ACED C#CC(=O)N1CC(C)(CCOC)C1 388591422 AURSESIPOQNCGE-UHFFFAOYSA-N 181.235 0.505 30 20 ACED N#CCCCC(=O)NC[C@H](O)C1CC1 589708728 SIPDGFKZKXZSSH-VIFPVBQESA-N 196.250 0.567 30 20 ACED CC(C)[C@H](C#N)NC(=O)[C@@H](O)C1CC1 597189501 VZHCLZWPEAHBEU-IUCAKERBSA-N 196.250 0.422 30 20 ACED CC1(C)CC[C@H](CO)N(CC#N)C1 598648115 NULQXFXMKYSVED-SECBINFHSA-N 182.267 0.993 30 20 ACED CCC[C@H](CCO)NC(=O)CC#N 601713879 QQOVGBIARILTBM-MRVPVSSYSA-N 184.239 0.567 30 20 ACED C[C@H](C#N)CN(C)C(=O)[C@@H](C)N(C)C 602079238 OVSAWOFMNUPBFI-RKDXNWHRSA-N 197.282 0.555 30 20 ACED C[C@H](C#N)CNC(=O)NC[C@H](C)CO 610697864 AWRCAYZKABPOFT-SFYZADRCSA-N 199.254 0.074 30 20 ACED CC#CCN(C)C(=O)COCCOC 647540878 WWFWZGMWBMKHLJ-UHFFFAOYSA-N 199.250 0.131 30 20 ACED C#CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 754057032 QKSWVRJWWHUVNK-FXBDTBDDSA-N 193.246 0.549 30 20 ACED CC[C@H](CO)C(=O)NC1(C#N)CCC1 779610639 IZJBOHYAKKFOIG-MRVPVSSYSA-N 196.250 0.567 30 20 ACED CC[C@@H](CO)C(=O)N[C@@H](C#N)C(C)C 779769136 OTLBMCFCFPBDMB-IUCAKERBSA-N 198.266 0.669 30 20 ACED C#CC(C)(C)NC(=O)C1=CCOCC1 793502219 SETXHJGBGBQRHW-UHFFFAOYSA-N 193.246 0.861 30 20 ACED C#CCON1C(=O)N[C@](C)(CC)C1=O 811844240 PSNXLDZCCBUKAF-SECBINFHSA-N 196.206 0.272 30 20 ACED C#CCCNC(=O)c1conc1CC 827692409 IMJGYWZMXHXDEZ-UHFFFAOYSA-N 192.218 0.990 30 20 ACED C=CCONC(=O)NOCC(C)C 834938968 PRBQPAOEOGWMTD-UHFFFAOYSA-N 188.227 0.991 30 20 ACED CO[C@H](C)[C@H](C)NC(=O)C#CC1CC1 837570626 ZUKYELZNDVNOSS-DTWKUNHWSA-N 195.262 0.939 30 20 ACED C=C(C)CONC(=O)[C@@H](O)C(C)C 846534404 ZTADQYMLZOMDRP-QMMMGPOBSA-N 187.239 0.627 30 20 ACED C#C[C@H](CC)NC(=O)NCCN(C)C 854074090 LAXMLHYMUCXXGB-SECBINFHSA-N 197.282 0.259 30 20 ACED C=C[C@@H](O)C(=O)NCc1ocnc1C 854583738 ITVYYVRPEIIZSP-SSDOTTSWSA-N 196.206 0.146 30 20 ACED Cc1ccncc1CC(=O)NO 856847847 WLHMZEBYTRLAGF-UHFFFAOYSA-N 166.180 0.438 30 20 ACED COC(=O)/C(C)=C\CN[C@H](C)CC#N 878819010 XWQLAMFNXLDPBK-BZJXQOFCSA-N 196.250 0.997 30 20 ACED C#CC1(O)CN(C[C@](C)(CC)OC)C1 898144044 ACQXTCJRFAYTFE-JTQLQIEISA-N 197.278 0.481 30 20 ACED C#CC(=O)NC[C@H]1CCOC(C)(C)C1 899160039 ZKIAFCKAOKZQOU-VIFPVBQESA-N 195.262 0.941 30 20 ACED C=C1CN(C[C@@H](O)COCC)C1 899900850 WXXPFETUEOFMJJ-SECBINFHSA-N 171.240 0.256 30 20 ACED C=CC[S@](=O)CC(=O)N(C)C 905173507 UIEGRDLAGLKRJB-NSHDSACASA-N 175.253 0.009 30 20 ACED C=C[C@H](CO)N[C@H](C)c1nonc1C 926727864 ORRCHCLQOHYUSW-HTRCEHHLSA-N 197.238 0.576 30 20 ACED C=C1CN(C(=O)Nc2nc(C)no2)C1 930755026 UVTDNDGUNPCUNW-UHFFFAOYSA-N 194.194 0.782 30 20 ACED C=CCNCCCNC(=O)[C@H]1C[C@@H]1C 1154326519 STTMYOQWIYHYIN-UWVGGRQHSA-N 196.294 0.924 30 20 ACED C=CCN(c1nnnn1CC)C1CC1 1262211156 VZHYJMRMOMVGJT-UHFFFAOYSA-N 193.254 0.848 30 20 ACED C#CCCOC(=O)N(CC#C)CC#N 1329785391 QXPLXSSNUCDUGT-UHFFFAOYSA-N 190.202 0.605 30 20 ACED CCc1ncoc1C(=O)NCCC#N 1336474893 XYWHNSXUNXFJKW-UHFFFAOYSA-N 193.206 0.880 30 20 ACED C=CC[C@@H](NCC1(C)COC1)C(=O)O 1602842477 OWFUFKPOHWGTEC-MRVPVSSYSA-N 199.250 0.642 30 20 ACED CN(CCC#N)C(=O)C(F)(F)F 37979710 YSOVIOXSFFFXJT-UHFFFAOYSA-N 180.129 0.921 30 20 ACED CC[C@@H]1CO[C@H](C)CN1C(=O)CC#N 42451761 AWTGRYNGECVNQS-RKDXNWHRSA-N 196.250 0.926 30 20 ACED 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RDUFTQHJLKBKMZ-SNVBAGLBSA-N 196.294 0.712 30 20 ACED C#CCO[C@@H](C)C(=O)OC[C@@H](C)C#N 835239184 VKXSASXRNQEXDW-IUCAKERBSA-N 195.218 0.728 30 20 ACED CO[C@@H](C)[C@@H](C)NC(=O)C#CC1CC1 837663844 ZUKYELZNDVNOSS-BDAKNGLRSA-N 195.262 0.939 30 20 ACED C#C[C@@H](C)NC(=O)C(CC)(CC)CO 847760079 DSLVZEWMSPNCDX-SECBINFHSA-N 197.278 0.923 30 20 ACED CC#CCOC(=O)[C@@H](CC)NC(C)=O 869676834 GMODTZTZKYITSQ-SECBINFHSA-N 197.234 0.468 30 20 ACED C#C[C@@H](C)NC(=O)NCCC(C)(C)N 892849322 GVFCIURNAZFSFC-MRVPVSSYSA-N 197.282 0.435 30 20 ACED N#CCCNC(=O)NC/C=C\Cl 894484718 JGGBZLIUTZAGMO-IWQZZHSRSA-N 187.630 0.952 30 20 ACED CC[C@@H](C(=O)NC1(C#N)CC1)N(C)C 900724261 ZTOQXDXQFPLQFT-QMMMGPOBSA-N 195.266 0.499 30 20 ACED C=CCN1[C@H]2CC[C@@H]1C[C@@H]2NC(C)=O 1095070128 GGCLFYQHMPHLRS-VWYCJHECSA-N 194.278 0.914 30 20 ACED C=CCNCCCNC(=O)C(F)F 1154049067 IKIIOWTVHDQIDP-UHFFFAOYSA-N 192.209 0.533 30 20 ACED C=CCn1nnnc1N1CCC[C@H]1C 1333659922 SPEUFTCVZGKWFJ-MRVPVSSYSA-N 193.254 0.848 30 20 ACED C=CCCOCC(=O)N[C@H]1C[C@H](N)C1 1524169081 TUAJJXJNFKHUNF-KYZUINATSA-N 198.266 0.185 30 20 ACED CC[C@H](CC#N)NCCC(N)=O 36747220 JDTIDGMNKRCDIT-SSDOTTSWSA-N 169.228 0.144 30 20 ACED C#CCN(CC(=O)O)C1CCCC1 37474458 QWUITYLACJFQFT-UHFFFAOYSA-N 181.235 0.949 30 20 ACED N#CCCNC[C@H]1CCCOC1 38045864 TZUJWWJVSNZERU-SECBINFHSA-N 168.240 0.916 30 20 ACED CC[C@H](CC#N)N[C@H](C)C(=O)N(C)C 42570685 HVOPQSWEVGBCKZ-RKDXNWHRSA-N 197.282 0.745 30 20 ACED CCn1cc(CCC#N)nn1 82018646 QPVSWTIYOMZZDC-UHFFFAOYSA-N 150.185 0.754 30 20 ACED CC(C)[C@@H](CO)NCC#N 86124080 QYVJUGMQTIKJKM-SSDOTTSWSA-N 142.202 0.116 30 20 ACED C[C@@H](CO)CNc1ncccc1C#N 88389820 QEWRGJXQGHKDMP-MRVPVSSYSA-N 191.234 0.994 30 20 ACED C=CCNC(=O)OCCF 104607521 UVMOSOKNLIIQHN-UHFFFAOYSA-N 147.149 0.868 30 20 ACED Cc1nn(C)cc1CNC[C@H](C)C#N 122426792 LSOGZPVLEOFPAQ-MRVPVSSYSA-N 192.266 0.978 30 20 ACED COCC(=O)NCC(C)(C)C#N 130284047 RKDUYPOVQCIRBR-UHFFFAOYSA-N 170.212 0.299 30 20 ACED C=CCC1(C=O)COC1 144751552 PYZZJOXROJFBHX-UHFFFAOYSA-N 126.155 0.778 30 20 ACED N#CCNC(=O)COc1cccnc1 162377735 ZFUIMJDTYRCBPT-UHFFFAOYSA-N 191.190 0.100 30 20 ACED C=CCOC(=O)C1(C(=O)O)CC1 168820139 SBKZXOXDEQBHDT-UHFFFAOYSA-N 170.164 0.580 30 20 ACED C#CCCCCNC[C@@H](O)COCC 229677771 KHWDFGYKLRJOSF-LLVKDONJSA-N 199.294 0.777 30 20 ACED CC(C)[C@@H](CCO)NCC#N 231040895 NWCRLBDYQHRKIJ-MRVPVSSYSA-N 156.229 0.507 30 20 ACED CC#CC(=O)N[C@H]1C[C@@H](O)C1(C)C 232635312 QHTISJLJLLUDAU-JGVFFNPUSA-N 181.235 0.285 30 20 ACED C[C@@H](O)CNc1ccc(C#N)nn1 306570352 MTTNBOAQGWCBSN-ZCFIWIBFSA-N 178.195 0.141 30 20 ACED C#CCONC(=O)[C@@H]1CCO[C@H]1C 306613238 KJBUCRBOOWTJTN-JGVFFNPUSA-N 183.207 0.092 30 20 ACED CC[C@@H]1CN(CCC#N)C[C@H]1O 307703621 RTTUIHNNEUOEFI-RKDXNWHRSA-N 168.240 0.603 30 20 ACED C=C[C@H](CO)NC(=O)[C@@H](C)C1CC1 308131783 BJLZOJNPRXPALL-IONNQARKSA-N 183.251 0.696 30 20 ACED C=CC[C@H](C)NS(=O)(=O)N(C)C 308133565 YXUJHRZSCZLDER-ZETCQYMHSA-N 192.284 0.347 30 20 ACED C=CCCC(=O)N[C@@H]1CCC[C@H]1O 308226514 QWINMAHHKCSPPS-RKDXNWHRSA-N 183.251 0.982 30 20 ACED CO[C@H](C)C(=O)OCC1(C#N)CC1 308256351 JRLOGNMUXOSNEA-SSDOTTSWSA-N 183.207 0.868 30 20 ACED CC[C@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 336116713 VDQZFQNKRANNKJ-WPRPVWTQSA-N 196.250 0.519 30 20 ACED C=CCCN(C)[C@H](C)C(N)=O 379183997 QKGYBZXTAOOBAQ-SSDOTTSWSA-N 156.229 0.368 30 20 ACED C=C[C@H](C)NC(=O)NCCOCC 379375300 OYBJCBCCKSACMO-QMMMGPOBSA-N 186.255 0.897 30 20 ACED C=C(CN(C)C)C(=O)N(C)C1CC1 379395293 ZBZLLPSMCNIYOM-UHFFFAOYSA-N 182.267 0.725 30 20 ACED NC(=O)CON=C[C@@H]1CC=CCC1 388272365 GVRDRHJGUMHDML-MRVPVSSYSA-N 182.223 0.830 30 20 ACED CC(C)CON=Cc1cnnn1C 388780570 JIPZCXHEVUWIOU-UHFFFAOYSA-N 182.227 0.822 30 20 ACED CC/N=C(/NCC)NCC(F)F 395595875 NIJWDUAGYFOBFQ-UHFFFAOYSA-N 179.214 0.827 30 20 ACED COC1(CO)CCN(CCC#N)CC1 401742310 HRRVAMXOONRZMT-UHFFFAOYSA-N 198.266 0.373 30 20 ACED CC(C)[C@H](C(=O)N(C)CC#N)N(C)C 609520577 TWPNNLUTVOBURB-SECBINFHSA-N 197.282 0.555 30 20 ACED C=CCOCCNC(=O)[C@](C)(O)C=C 613360677 IKKHXOTWZONMJU-SNVBAGLBSA-N 199.250 0.242 30 20 ACED C=C[C@@H](O)C(=O)NCCC1(C)CC1 614234724 VHEZQRUPPQFEET-MRVPVSSYSA-N 183.251 0.840 30 20 ACED N#CCCN1CCOC[C@]12CCOC2 619655641 ZNGAIHWJBPMFBT-SNVBAGLBSA-N 196.250 0.391 30 20 ACED C=CCCS(=O)(=O)N1CC=CC1 632444252 VEEZQXQUOSDDFB-UHFFFAOYSA-N 187.264 0.764 30 20 ACED C=CCN(C)C(=O)NC[C@H](N)C(C)C 638083086 QBQNWIUWIUDKCO-VIFPVBQESA-N 199.298 0.797 30 20 ACED CC#CCN(C)Cc1nncn1C 672574609 MFVYIBXXLWJUNZ-UHFFFAOYSA-N 178.239 0.270 30 20 ACED C#CCN(C)C[C@@H](OC)C1CC1 692197819 KSNHPKMHGMIEHT-SNVBAGLBSA-N 167.252 0.976 30 20 ACED COCCN(CC#N)CCOC1CC1 711745810 MAGQWZOGXFTCJZ-UHFFFAOYSA-N 198.266 0.637 30 20 ACED C#CCCCNC(=O)C(C)(C)C(N)=O 767951223 YBIGIJNTNSRBLG-UHFFFAOYSA-N 196.250 0.028 30 20 ACED CC#CC(=O)N[C@H](CN(C)C)C(C)C 801155715 AOOZONWKAMSZRP-SNVBAGLBSA-N 196.294 0.712 30 20 ACED CC[C@@H](C#N)OC(=O)[C@H](C)NC(C)=O 801185923 FBHFLDSHCKSJCZ-XPUUQOCRSA-N 198.222 0.356 30 20 ACED CC#CC(=O)NC[C@H]1CCOC[C@@H]1C 804618514 SPRGOQQIUYDNLY-VHSXEESVSA-N 195.262 0.799 30 20 ACED C=C[C@@H]1OCC[C@H]1C(=O)NOCC 822342464 VEHHDRFAQHWAPX-SFYZADRCSA-N 185.223 0.645 30 20 ACED C=C[C@@H](C)NC(=O)[C@H]1CC(C)=NO1 829983120 YDYVIVQOBONQMB-HTRCEHHLSA-N 182.223 0.842 30 20 ACED C=CCNC(=N)NCCOC1CCC1 849009141 GLKBKRKIEFHEQE-UHFFFAOYSA-N 197.282 0.855 30 20 ACED C=CC[C@@H](CO)CNC1=NCCN1C 849016207 UGPMQHWDEFVRRN-SECBINFHSA-N 197.282 0.062 30 20 ACED C#CCN(CC)C(=O)N[C@@H](C)CNC 851681352 NLGDDWBBESNWBC-VIFPVBQESA-N 197.282 0.259 30 20 ACED C#C[C@@](C)(CC)NC(=O)[C@H](CC)CO 854702135 JKGSDWBVAYYAIG-KOLCDFICSA-N 197.278 0.923 30 20 ACED O=C1OCCN1N=C[C@@H]1CCCOC1 863161308 JISXIULRBVRTCM-QMMMGPOBSA-N 198.222 0.851 30 20 ACED N[C@H]1CCCN(C(=O)C#CC2CC2)C1 876499990 COGBOYCTDJFVQC-JTQLQIEISA-N 192.262 0.350 30 20 ACED C[C@@H](N)CNC(=O)C#CC(C)(C)C 876835964 ICEDRDQPDNMDQK-MRVPVSSYSA-N 182.267 0.499 30 20 ACED CC(C)C1(C(=O)NO)COC1 892164887 LPBQHQFIVLCZIE-UHFFFAOYSA-N 159.185 0.164 30 20 ACED N#C[C@H]1CCC[C@@H](NCCCON)C1 902425927 PMYYWDBIWCSWCM-VHSXEESVSA-N 197.282 0.939 30 20 ACED C=CCCN1C[C@H]2C[C@H]1[C@@H]2NC(C)=O 1037270949 GFJQXOLUFFFIKE-OUAUKWLOSA-N 194.278 0.771 30 20 ACED CC(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 1084136065 ROOGCPBAGYMQEG-NXEZZACHSA-N 193.250 0.063 30 20 ACED CCN(CC#N)C(=O)c1ncccn1 1331244405 KGQCFTDBGGGNFV-UHFFFAOYSA-N 190.206 0.462 30 20 ACED C#CCCCN1C(=O)NC2(CC2)C1=O 1343703760 AWYGXJZHLGSGGT-UHFFFAOYSA-N 192.218 0.484 30 20 ACED N#Cc1nccc(N2CC(F)(F)C2)n1 1516801587 ADJCJMDAVFXAOZ-UHFFFAOYSA-N 196.160 0.804 30 20 ACED C=CCN[C@H](C[C@@H]1CCCO1)C(=O)O 1588845526 USQWXSCOPMFGLN-DTWKUNHWSA-N 199.250 0.784 30 20 ACED CC[C@@H](C#N)OC(=O)[C@H](CC)C(=O)O 1594724992 HUCPAXJWIKBIFJ-NKWVEPMBSA-N 199.206 0.943 30 20 ACED C/C=C(\C)C(=O)NC1CN(CC#N)C1 1753373624 AZUFXYFESRBMLE-FPYGCLRLSA-N 193.250 0.277 30 20 ACED CCN(CCO)C[C@H](C)C#N 31945900 ORSBWMHNLXYWPX-MRVPVSSYSA-N 156.229 0.460 30 20 ACED C=CC[C@@H](F)C(=O)O 38220132 JZKRBMFWHADHHO-SCSAIBSYSA-N 118.107 0.985 30 20 ACED CCOCCC(=O)N[C@H](C)CC#N 53733187 HHMXAMSSERSSJX-MRVPVSSYSA-N 184.239 0.831 30 20 ACED CCCC[C@H](N)C(=O)NC[C@@H](C)C#N 54158231 WSQVAPDRFNGKLO-IUCAKERBSA-N 197.282 0.780 30 20 ACED C#CCN1CCC[C@H](CC(=O)O)C1 54299515 OWBPEVAJQIGCMF-SECBINFHSA-N 181.235 0.806 30 20 ACED N#CCCNC(=O)[C@H]1CCSC1 69982384 KPRQTWGIYZTMCB-ZETCQYMHSA-N 184.264 0.769 30 20 ACED Cn1ccc(N)c1C#N 98179495 WLHTVKNUUDMQKX-UHFFFAOYSA-N 121.143 0.479 30 20 ACED C[C@@H]1C[C@H](C(=O)NCCCC#N)CO1 162083067 XUBMFAQQUKOIGI-BDAKNGLRSA-N 196.250 0.831 30 20 ACED C#C[C@@H](C)NC(=O)c1snnc1C 167029198 KIRUZHCTJDIATO-RXMQYKEDSA-N 195.247 0.598 30 20 ACED CO[C@@H](C)CNC(=O)C(C)(C)C#N 224215290 AUXKYNHEMWFJSM-ZETCQYMHSA-N 184.239 0.687 30 20 ACED C[C@@H](C#N)C(=O)NCCC[C@@H](C)O 228650183 IZXCKVINRBEGRG-JGVFFNPUSA-N 184.239 0.423 30 20 ACED CN(CC#N)C(=O)c1ccncn1 259710283 SWAOKUQZLPDLJP-UHFFFAOYSA-N 176.179 0.072 30 20 ACED C#C[C@@H](N[C@H](C=C)C(=O)OC)C(C)C 301053356 XYPMFHOVHNJQPV-NXEZZACHSA-N 195.262 0.961 30 20 ACED C#CCNC(=S)N1CC[C@H](C)C1 306192601 ABKLQTUWVZSJJN-QMMMGPOBSA-N 182.292 0.836 30 20 ACED CC#CC(=O)N1CCC[C@@H](OC)C1 306401055 PITIZHDRMNKUIA-SECBINFHSA-N 181.235 0.647 30 20 ACED N#Cc1cncc(N)c1O 306669213 BBOIDXMKCOTXBM-UHFFFAOYSA-N 135.126 0.241 30 20 ACED C#CCNC(=O)N(C)[C@@H](C)C#C 307221623 PWJKYNVTBPHTLF-QMMMGPOBSA-N 164.208 0.283 30 20 ACED C#Cc1ccc(C(=O)N(C)C)cn1 307379335 YNJJIXNJPLVJEW-UHFFFAOYSA-N 174.203 0.765 30 20 ACED C=C(C)CN1CCCC[C@@H]1C(N)=O 307381495 GTAYULYINGWBAG-SECBINFHSA-N 182.267 0.902 30 20 ACED O=S1CCC(=NNC2CC2)CC1 307708881 KNYMVKKQLOZNMS-UHFFFAOYSA-N 186.280 0.637 30 20 ACED CC#CC(=O)NCCC[C@H](O)CC 308317432 WLCDRMAUJJFWDX-SECBINFHSA-N 183.251 0.677 30 20 ACED COc1ccc(C=NNC(=N)N)s1 308329544 IAWLFZLNODSLQL-UHFFFAOYSA-N 198.251 0.574 30 20 ACED CC#CCCNC(=O)NC[C@@H](C)O 308332175 LJNJSYLLYUJJQN-MRVPVSSYSA-N 184.239 0.080 30 20 ACED C[C@@H](C#N)OCCN(C)[C@H](C)CO 308381201 QOOVFQUVMJBXCK-BDAKNGLRSA-N 186.255 0.228 30 20 ACED C#CCN[C@H](C(N)=O)c1ccccc1 308511384 JUXHBJRTEFZCFX-JTQLQIEISA-N 188.230 0.436 30 20 ACED CCO[C@H]1CCCC1=NNCCO 378850639 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199.254 0.578 30 20 ACED C=CCCNC(=O)c1cnnn1CC 617619181 LEFDDFIJPCPCBG-UHFFFAOYSA-N 194.238 0.604 30 20 ACED CC#CCN(C)[C@@H](C)C(=O)NCCC 645262024 GUMHWUUDCCRNJQ-JTQLQIEISA-N 196.294 0.856 30 20 ACED C=C1CCN(C[C@@H]2CCC(=O)N2)CC1 649524785 UTXKGVLYQWLCNO-JTQLQIEISA-N 194.278 0.917 30 20 ACED C=C[C@](C)(O)C(=O)NC[C@@H]1C[C@@H]1C 666404327 DATYOEBZHUQCIO-NRPADANISA-N 183.251 0.696 30 20 ACED C[C@@H](CCC#N)N(C)[C@@H]1COC[C@H]1O 709622625 YLBBKHDULJSWDK-IVZWLZJFSA-N 198.266 0.370 30 20 ACED C#CC(=O)N1C[C@H]2[C@H](C1)C2(F)F 715539484 SQZDNNRHJCIXJN-WDSKDSINSA-N 171.146 0.343 30 20 ACED C#CC[C@@H](CO)NC(=O)C1CC=CC1 717777481 WZWOSFQRLLSIFC-JTQLQIEISA-N 193.246 0.453 30 20 ACED Cc1nonc1CNC(=O)[C@H](C)C#N 743419127 SEGCIQLPTYZALA-RXMQYKEDSA-N 194.194 0.154 30 20 ACED C#CCOCCC(=O)N[C@@H](C)COC 755383680 LKRJKZMIKQCXFD-VIFPVBQESA-N 199.250 0.177 30 20 ACED C#C[C@H](NC(=O)CC#N)[C@@H]1CCCO1 775330349 VFYOPRBWGYMPQZ-IUCAKERBSA-N 192.218 0.197 30 20 ACED C#C[C@H](CCC)NC(=O)C1(C)COC1 791743677 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0.750 30 20 ACED CC#CCCN(C)CCOCCO 301046168 OJNBKJFNPVWHRJ-UHFFFAOYSA-N 185.267 0.341 30 20 ACED C#CC(=O)N1CC[C@H](C)[C@H]1C 306560778 RQALPIXBQQACJA-JGVFFNPUSA-N 151.209 0.877 30 20 ACED C#CC(=O)N[C@H](C)[C@H](C)OC 306688883 KBKJFMLSQZURBP-RQJHMYQMSA-N 155.197 0.159 30 20 ACED N#C[C@]1(C[C@H](O)CF)CCCN1 307088169 SRMJTKJQTGMZPA-JGVFFNPUSA-N 172.203 0.353 30 20 ACED C#CC(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1 307232426 OYGNFMRWXBVMRR-SFYZADRCSA-N 195.218 0.189 30 20 ACED C#C[C@@H](C)NC(=O)c1ccc(C)nn1 307354272 XDYDQBKOLPSLLF-SSDOTTSWSA-N 189.218 0.537 30 20 ACED CC(=O)N1CC[C@@H](NCC#N)[C@@H](C)C1 307455664 XMZKVOCLQRCEBQ-WCBMZHEXSA-N 195.266 0.356 30 20 ACED CN(CC#N)CC[C@@H]1CCOC1 307979476 NUHGFWMRXLKLSV-SECBINFHSA-N 168.240 0.868 30 20 ACED N#CCCNC(=O)CSCC#N 308069435 AOMAPGCXAQUMCL-UHFFFAOYSA-N 183.236 0.273 30 20 ACED C[C@@H](CC#N)NCc1cc[nH]n1 308125918 VKNLGDUITHAUPK-ZETCQYMHSA-N 164.212 0.801 30 20 ACED C[C@H](CC#N)NCc1cn(C)nn1 308133546 CRCHQJQMHLARQY-SSDOTTSWSA-N 179.227 0.207 30 20 ACED C=CCOCC(=O)O[C@@H]1CCOC1 308347490 WJUXUKVJXAIOOH-MRVPVSSYSA-N 186.207 0.521 30 20 ACED C=C[C@H](CO)NCc1nccn1CC 308605596 POCAFIXMOXPUGZ-SECBINFHSA-N 195.266 0.540 30 20 ACED Cn1cncc1CN1CC(C)(C#N)C1 334198502 LZQZWTFNEJLDQR-UHFFFAOYSA-N 190.250 0.766 30 20 ACED CC[C@H](CO)N(C)C[C@H](C)C#N 393298489 RGHNPVNVIPDPRI-RKDXNWHRSA-N 170.256 0.849 30 20 ACED C=C[C@@H](O)C(=O)Nc1ncsc1C 529544934 REWQCDNRBHYSKN-ZCFIWIBFSA-N 198.247 0.937 30 20 ACED C[C@H](O)C#Cc1ccc(C=O)cn1 585144614 VMXHKVPTNKTVLN-QMMMGPOBSA-N 175.187 0.626 30 20 ACED N#CCCC[C@@H](N)C(=O)NC1CCC1 591598464 YMOBUNVVHCQDSQ-SECBINFHSA-N 195.266 0.676 30 20 ACED COCCCN(C)CCNCCC#N 591744353 WRQCDCYVARABJW-UHFFFAOYSA-N 199.298 0.458 30 20 ACED N#Cc1cncc(N[C@H]2C[C@@H](O)C2)n1 591948608 WWIHYJVNZCPBNC-WRXNHJIOSA-N 190.206 0.283 30 20 ACED COCCNC(=O)c1ccc(C#N)[nH]1 611027619 ITIZWMFCJNDXNJ-UHFFFAOYSA-N 193.206 0.263 30 20 ACED C[C@@H]1CN(CC#N)C[C@@]2(CCOC2)O1 619516421 YZNLAALXRYMEQS-NXEZZACHSA-N 196.250 0.390 30 20 ACED C=CC[C@@H]1CCN(CC(=O)O)C1 629498334 OXKQSTFCFCLKDJ-MRVPVSSYSA-N 169.224 0.969 30 20 ACED C=CCCC(=O)N[C@H]1C[C@@H](CO)C1 633838489 GMGRJEUOLWANLG-DTORHVGOSA-N 183.251 0.840 30 20 ACED C=C[C@H](O)C(=O)Nc1ncc(C)s1 646611223 PKRFPMVYPDJXHE-LURJTMIESA-N 198.247 0.937 30 20 ACED C#CC(C)(C)NC(=O)[C@@H]1NCC1(C)C 710038911 DPKVAYXIUXGJDC-QMMMGPOBSA-N 194.278 0.512 30 20 ACED C#CC[C@H](CO)N[C@H]1CO[C@@H](C)C1 717727729 JNVKCNQAPSQJKE-IVZWLZJFSA-N 183.251 0.138 30 20 ACED C#CC[C@H](CO)NC[C@H](CCC)OC 717832793 XXYRNVCTKDWADE-MNOVXSKESA-N 199.294 0.775 30 20 ACED C=C1CCC(CNC(=O)C(=O)O)CC1 724482274 ZLEPSBMLXWNTNH-UHFFFAOYSA-N 197.234 0.934 30 20 ACED CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1C(=O)O 736848229 IHGHMHVEYOPIQO-QYNIQEEDSA-N 196.206 0.125 30 20 ACED C#CCNC(=O)N[C@H](CO)C/C=C/C 769741044 AOKNVLYRBZIRDB-SGRBOOSSSA-N 196.250 0.246 30 20 ACED CC1(C)OCC(NC(=O)CC#N)CO1 774019191 ZTSIRENWZJPPCX-UHFFFAOYSA-N 198.222 0.168 30 20 ACED C#C[C@@H](NC(=O)CC#N)[C@H]1CCCO1 775330351 VFYOPRBWGYMPQZ-RKDXNWHRSA-N 192.218 0.197 30 20 ACED C#C[C@H](C)NC(=O)C1(N(C)C)CCC1 775387601 FESGNEQYGOLUBT-VIFPVBQESA-N 194.278 0.609 30 20 ACED O=C(NO)c1cc(O)cc([N+](=O)[O-])c1 782171877 PPHJJJQAJOPHIQ-UHFFFAOYSA-N 198.134 0.419 30 20 ACED CC#CC(=O)NC[C@](C)(O)[C@H](C)CC 801162236 ZCYQJJIGTCDRFN-KOLCDFICSA-N 197.278 0.923 30 20 ACED C#CC[C@H]1NC(=O)N(OCCC)C1=O 819179957 JWDXDBVGWBXANP-SSDOTTSWSA-N 196.206 0.272 30 20 ACED C#CCCNC(=O)N[C@@H]1CO[C@H](C)C1 825995846 XPAJSYONNVIXEX-BDAKNGLRSA-N 196.250 0.486 30 20 ACED CC[C@](C)(C#N)C(=O)N1CC=C(N)N1 829843794 BHDKWLIQFRYSSH-SECBINFHSA-N 194.238 0.073 30 20 ACED CC(C)C#CC(=O)NCCN1CCC1 830939150 XQMUOKPCPFBPEX-UHFFFAOYSA-N 194.278 0.468 30 20 ACED C[C@@H]1CC(=NOCC(N)=O)[C@@H](C)O1 834968834 QWTORMDBRWJVSU-PHDIDXHHSA-N 186.211 0.042 30 20 ACED CC1(C)CC(=NNc2nc[nH]n2)CO1 841638483 UJXJENQUUSWWSZ-UHFFFAOYSA-N 195.226 0.772 30 20 ACED CC[C@H](NC(=O)C#CC(C)C)[C@@H](C)O 854830315 VCVSBHLQTQBFTF-ZJUUUORDSA-N 197.278 0.921 30 20 ACED C[C@H](CO)NN=Cc1cnsc1 872355861 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30 20 ACED CC(C)[C@@H](C#N)NC(=O)c1cc[nH]n1 70650847 HHPUQIUXRVDADK-MRVPVSSYSA-N 192.222 0.688 30 20 ACED N#C[C@H]1CCCN(C(N)=O)C1 70663214 OSXNYRGXTCCYMQ-ZCFIWIBFSA-N 153.185 0.301 30 20 ACED CC(C)(C#N)C(=O)N[C@H]1CCCOC1 71023865 PAVWHKCKZDSNNC-QMMMGPOBSA-N 196.250 0.831 30 20 ACED C#CCCN1CCN(CC#N)CC1 82427315 JSZFFPYHXBNJMZ-UHFFFAOYSA-N 177.251 0.151 30 20 ACED CC[C@H](C#N)C(=O)N[C@@H](C)CCCO 87360338 CXQJBTJTGFKQFN-DTWKUNHWSA-N 198.266 0.813 30 20 ACED N#CCNC(=O)[C@H]1CCCCS1 87679911 HLFKCZQYGDMUOP-SSDOTTSWSA-N 184.264 0.912 30 20 ACED C=C[C@H](C)NC(=O)COC 130664025 PMKFQHXEZAUOBN-LURJTMIESA-N 143.186 0.324 30 20 ACED C=CCn1nccc1C=O 140797183 YDYCDDNJJHNTLQ-UHFFFAOYSA-N 136.154 0.882 30 20 ACED C=CCNC(=O)N1C[C@H](C)O[C@H](C)C1 149367202 PKKNRBAMGVROBD-DTORHVGOSA-N 198.266 0.991 30 20 ACED C[C@H](C(=O)O)C(=O)N(C)[C@H](C)CC#N 165537095 YVBUNHJEFKCJHZ-RQJHMYQMSA-N 198.222 0.468 30 20 ACED CC#CCn1ccc(C)nc1=O 300753542 IKRPXQNJFFSPTA-UHFFFAOYSA-N 162.192 0.575 30 20 ACED C[C@@H]1OCCC[C@@H]1C(=O)NCC#N 306228168 HXYOEIGGVPSJIW-YUMQZZPRSA-N 182.223 0.441 30 20 ACED CC#CCN1CCn2ncnc2C1 306419835 WFYZKRMLJJNLQO-UHFFFAOYSA-N 176.223 0.117 30 20 ACED C=C(Br)COC(=O)CO 306487246 YKLNWBWOBOMOCX-UHFFFAOYSA-N 195.012 0.431 30 20 ACED CCOC(=O)C#Cc1cn(CC)cn1 306552908 AZYZNRPZIUYNOK-UHFFFAOYSA-N 192.218 0.818 30 20 ACED N#C[C@]1(C[C@H](O)CF)CCOC1 306799278 MVDJBSNPYJHUKK-JGVFFNPUSA-N 173.187 0.637 30 20 ACED C#CC(=O)N[C@@H](CO)C1CCCCC1 306853093 SRCKPKBMTJXCRT-JTQLQIEISA-N 195.262 0.677 30 20 ACED Cc1nc(C#N)cc(N(C)CCO)n1 307035772 VUCXGYMIWMCHBI-UHFFFAOYSA-N 192.222 0.085 30 20 ACED C[C@H](C#N)C(=O)NC[C@H]1CCC=CO1 307203767 DHSIIQMLNALIPW-RKDXNWHRSA-N 194.234 0.955 30 20 ACED C#CCCCN1CC(=O)N[C@@H](C)C1 307255649 BKZFXPLPYWSAHT-VIFPVBQESA-N 180.251 0.220 30 20 ACED C[C@H]1C[C@@H](CO)CN(C(=O)CC#N)C1 307350058 SPOHIVSBHKPAAP-DTWKUNHWSA-N 196.250 0.377 30 20 ACED O=C(CC[C@@H]1CCCOC1)NO 307666800 NJJRGYXIFJHETQ-ZETCQYMHSA-N 173.212 0.699 30 20 ACED C#CC(=O)N(C)Cc1ccccn1 307750455 KBVOQYJEXUFZPU-UHFFFAOYSA-N 174.203 0.673 30 20 ACED CC(C)C=NN1CC(=O)NC1=O 307898282 UMQLVDBVZKBSFM-UHFFFAOYSA-N 169.184 0.180 30 20 ACED C#C[C@@H](C)NC(=O)CN(CC)CC 308173593 CHTKFIGFTVKWTA-SECBINFHSA-N 182.267 0.466 30 20 ACED CC[C@@H](O)CNN=C(C)[C@@H](C)OC 308235247 QNXHPDZURNCNHQ-RKDXNWHRSA-N 188.271 0.758 30 20 ACED N=C(N)NN=C/C=C\c1ccco1 308420731 SROXWGDOHNSTKY-MGBCMINVSA-N 178.195 0.762 30 20 ACED CC#CCCN(CC)CCOCCO 308452304 GVBOGILVVNRVEA-UHFFFAOYSA-N 199.294 0.731 30 20 ACED N#Cc1ncn(Cc2cn[nH]c2)c1C#N 308978075 CUGDKIDMFGTSMY-UHFFFAOYSA-N 198.189 0.398 30 20 ACED CC#CCN(C)C(=O)c1cncnc1 334145113 WWGIFWVSBVRHKJ-UHFFFAOYSA-N 189.218 0.572 30 20 ACED C[C@H]1[C@H](CO)CCCN1CCC#N 335174717 BZTPQOIUMFRTHL-UWVGGRQHSA-N 182.267 0.993 30 20 ACED C#C[C@H](C)N(C)CC(=O)NC(C)C 379416351 RPZHTSZMNOQPBV-VIFPVBQESA-N 182.267 0.465 30 20 ACED C=C[C@H](CO)NCc1ccc(CO)o1 379576593 OJNKUKKSWVYBOU-MRVPVSSYSA-N 197.234 0.408 30 20 ACED C#C[C@@](C)(CC)N[C@H](C)C(=O)N(C)C 384170830 MXARGMOYPHTBKX-KOLCDFICSA-N 196.294 0.855 30 20 ACED C=C(C)CN(CC)CC(=O)N(C)C 388365217 VDYWJRBNHFVOCP-UHFFFAOYSA-N 184.283 0.973 30 20 ACED N#CCNS(=O)(=O)CCCCF 388499245 LKRINAJBSAKNCX-UHFFFAOYSA-N 194.231 0.179 30 20 ACED CO[C@H](C)CC(=O)N[C@H](C)CC#N 388601192 RPQXZWRCVQYVIU-HTQZYQBOSA-N 184.239 0.830 30 20 ACED C[C@H]1CN(CCCCC#N)C[C@H]1O 388627006 HIYQPQAUXRXZHT-VHSXEESVSA-N 182.267 0.993 30 20 ACED C#CC(=O)N[C@H](C)CCCCO 398382636 NQTYRCHGLGVFGD-MRVPVSSYSA-N 169.224 0.287 30 20 ACED C=CCNC(=O)CN[C@H]1CO[C@@H](C)C1 401898854 BYKQXWYGCKUUFG-DTWKUNHWSA-N 198.266 0.056 30 20 ACED COCCC(=O)NCC1(CC#N)CC1 404111389 JTDQGVZRTDSXGV-UHFFFAOYSA-N 196.250 0.833 30 20 ACED CC[C@@](C)(C#N)NC(=O)[C@H]1C[C@@H](O)C1 602085016 DQCGKSWLXAYLRT-XKSSXDPKSA-N 196.250 0.566 30 20 ACED C=C[C@H](CO)NC(=O)Cc1ccoc1 620590915 MMJRNDOUMSQQJA-SECBINFHSA-N 195.218 0.485 30 20 ACED C=C[C@](C)(O)C(=O)N1C[C@H]2C[C@@H]2C1 628519372 VYANRPMMFOYRAJ-MRTMQBJTSA-N 181.235 0.402 30 20 ACED C=C[C@@H]1OCC[C@H]1NCC#CCOC 650031382 AQLYFXMNTOTJRZ-MNOVXSKESA-N 195.262 0.569 30 20 ACED CC#CCCN(CC(N)=O)C(C)(C)C 680885441 XOVOBQZPOYQQHQ-UHFFFAOYSA-N 196.294 0.986 30 20 ACED C#Cc1ccc(C(=O)NOCC)cn1 728858544 QUHHEPGZERHPMM-UHFFFAOYSA-N 190.202 0.744 30 20 ACED C#CCCCNC(=O)N(C)C[C@H](C)O 774233457 IZBJIZBDRWYADR-VIFPVBQESA-N 198.266 0.422 30 20 ACED CC#CC(=O)N(CC(=O)OC)C1CC1 801167669 ZDZLYLDWPQRYNR-UHFFFAOYSA-N 195.218 0.174 30 20 ACED CC#CC(=O)N(CCCCO)C1CC1 801179608 ZEWYXMDGVOCEHR-UHFFFAOYSA-N 195.262 0.773 30 20 ACED C#CC(=O)NC[C@@H]1CCCN1CCC 804778099 MMXRRABURFYZAK-JTQLQIEISA-N 194.278 0.610 30 20 ACED C#C[C@@H](C)NC(=O)N(C)C[C@H](C)OC 805309296 NEIZRNCOKGEXGE-BDAKNGLRSA-N 198.266 0.684 30 20 ACED C#CCNC(=O)NC[C@@H](O)C1CCC1 837363419 SGSQBJZHADZLBV-SECBINFHSA-N 196.250 0.080 30 20 ACED C=CCN1CC(=O)N(OC(C)C)C1=O 842250951 ZZAXKDNKPLQQQP-UHFFFAOYSA-N 198.222 0.777 30 20 ACED C#C[C@H](CC)NC(=O)[C@H](CC)[C@H](C)O 842255485 CTFCOQAAIIQROH-IVZWLZJFSA-N 197.278 0.921 30 20 ACED C#CCNC(=O)N1CCC[C@@H](F)C1 844859172 CSNXSZZXKAQNRA-MRVPVSSYSA-N 184.214 0.763 30 20 ACED C#CCNC(=O)/C=C(\C)COC 845096419 IXNQZUMTDKNNLQ-SOFGYWHQSA-N 167.208 0.329 30 20 ACED C=C[C@@H](C)ONC(=O)C(=C)CN(C)C 846553472 CKCKJXYCGAVWMS-SECBINFHSA-N 198.266 0.727 30 20 ACED CCO/C=C/C(=O)N[C@@H](C#N)CC 847415239 YCLAGNHXXRJJEP-HQZHTGGTSA-N 182.223 0.955 30 20 ACED C#C[C@H](NC(=N)NCC=C)C(C)C 849026039 KRKKRMMFLSRVQN-VIFPVBQESA-N 179.267 0.944 30 20 ACED C=C[C@@](C)(O)c1cn(CCOC)nn1 849141184 LCRIGKVGANZPGM-SECBINFHSA-N 197.238 0.318 30 20 ACED CC[C@@H]1COCC1=NN[C@@H](C)CO 853314329 KSVONVQEGPEIJP-JGVFFNPUSA-N 186.255 0.369 30 20 ACED COC[C@H](C#N)OC(=O)C1(C)COC1 857068054 VROGDGGDXMXZQT-ZETCQYMHSA-N 199.206 0.105 30 20 ACED C#CCCOC(=O)N[C@H](C)COC 858876071 PGYTYDZMOZJNSU-MRVPVSSYSA-N 185.223 0.771 30 20 ACED C=C1CCC(C(=O)N2CC(O)C2)CC1 897082826 REJBWGDGTMNYRT-UHFFFAOYSA-N 195.262 0.936 30 20 ACED C=C1CN(C(=O)C2(COC)CC2)C1 898701625 ZOZRQTQCDFHWAI-UHFFFAOYSA-N 181.235 0.811 30 20 ACED CN(C)C(=O)COC(=O)C(C)(C)C#N 915791080 JFQOGCMBWJJSAQ-UHFFFAOYSA-N 198.222 0.168 30 20 ACED CC(C)CCC(=O)NCCNCC#N 1123216862 VHZFIOVNEIKSGT-UHFFFAOYSA-N 197.282 0.652 30 20 ACED C=C(CC)C(=O)N(CC)CC(=O)OC 1263726512 KCZJXOHRVQNNBU-UHFFFAOYSA-N 199.250 0.974 30 20 ACED C[C@@H](CC#N)NCc1cnon1 1333038386 PXDHYRFPTRCZKA-LURJTMIESA-N 166.184 0.461 30 20 ACED C=C[C@@H](COC)NC(=O)c1cnco1 1338163789 MUCJTJWSQDJYLB-ZETCQYMHSA-N 196.206 0.605 30 20 ACED C=CC(C)(C)C(=O)N1CC(C(N)=O)C1 1350162292 FSBDBCBRJCFSFA-UHFFFAOYSA-N 196.250 0.142 30 20 ACED N#CCCCNC(=O)N[C@H]1C[C@H](N)C1 1580051475 IDEFOIZWJIAENK-ZKCHVHJHSA-N 196.254 0.079 30 20 ACED C#CCCOC(=O)[C@H](C(=O)O)C(C)C 1588395709 LCRQPXMEQKNDRV-QMMMGPOBSA-N 198.218 0.910 30 20 ACED C#CC[C@H](NCC(C)C)C(=O)O 1588423012 UHMKIIOINFRCAU-QMMMGPOBSA-N 169.224 0.709 30 20 ACED C#CCCN[C@@]1(CC(=O)O)CCOC1 1588453752 RGTNMLDZHICNMW-SNVBAGLBSA-N 197.234 0.233 30 20 ACED C=CC[C@H](NC(CF)CF)C(=O)O 1588746282 RBFJPMHQJSXRSR-ZETCQYMHSA-N 193.193 0.913 30 20 ACED C=CC[C@H](C(C)=O)C(=O)OC 5166985 ZPODYHCGBAQQKD-SSDOTTSWSA-N 156.181 0.941 30 20 ACED COC[C@@H](C)CNC(=O)CC#N 41680566 SZVYGNHIWRQEHR-ZETCQYMHSA-N 170.212 0.299 30 20 ACED C[C@@H](C#N)C(=O)NC[C@@H]1CCCCO1 44827645 GSFNNVFQGPGPLN-IUCAKERBSA-N 196.250 0.831 30 20 ACED CCN1CCN(CC2(C#N)CC2)CC1 49807281 PGKAFGUIXAHVED-UHFFFAOYSA-N 193.294 0.928 30 20 ACED CCN(CCCC#N)CC(=O)OC 49947677 KOVRBTXLZLZSPS-UHFFFAOYSA-N 184.239 0.785 30 20 ACED O=C(O)/C=N/OC1CC1 66055140 SGZMHVPPXXJIGK-ZZXKWVIFSA-N 129.115 0.236 30 20 ACED CC(C)[C@H](C)C(=O)NCC#N 69686930 XXJJRSGGGBLRIO-ZETCQYMHSA-N 154.213 0.918 30 20 ACED CCCC(=O)NC1(C#N)CCOCC1 71507342 XDDQUPFARSNOLX-UHFFFAOYSA-N 196.250 0.975 30 20 ACED C#CCN1CCN(C(=O)/C=C/C)CC1 82261500 KLJYKIAXROIKEZ-HWKANZROSA-N 192.262 0.340 30 20 ACED C=C[C@@H](C)NCc1cn(C)nn1 130481874 ITBPXLVWFTXMSU-SSDOTTSWSA-N 166.228 0.479 30 20 ACED C#CCNC(=O)[C@@H](O)c1ccccc1 220987052 YYLZGGSPSZQPDG-JTQLQIEISA-N 189.214 0.469 30 20 ACED C=CCN(CC=C)C(=O)[C@H](CN)OC 227346128 INHHYTHTHGMYBA-VIFPVBQESA-N 198.266 0.161 30 20 ACED C=C[C@H](C)NC(=O)C1(N)CCC1 229223299 TXRUYZNQBCADII-ZETCQYMHSA-N 168.240 0.559 30 20 ACED C=CCCC(=O)NCC(F)(F)CO 231776692 CYJQXCNZFQKOSC-UHFFFAOYSA-N 193.193 0.696 30 20 ACED CC#CC(=O)NCc1ncc[nH]1 232622412 ONBZLGRXUPLOBJ-UHFFFAOYSA-N 163.180 0.049 30 20 ACED C[C@@H]1CC(=NNC(=N)N)CCO1 252664695 INQPBDAFYGRLHS-RXMQYKEDSA-N 170.216 0.024 30 20 ACED C=CC1CCN(S(N)(=O)=O)CC1 306397964 KBWOIRJZGUDTLI-UHFFFAOYSA-N 190.268 0.088 30 20 ACED C#CC(=O)N[C@@H]1CC[C@H](C#N)C1 306399633 MUGLIDYTGHHTDJ-JGVFFNPUSA-N 162.192 0.428 30 20 ACED Cc1nsc(NCC#CCO)n1 306457037 UMUXUCXYSOMVHS-UHFFFAOYSA-N 183.236 0.254 30 20 ACED C=CCCN1CCN(C)C(=O)[C@@H]1C 306676284 VTJYWRKVXLREMY-VIFPVBQESA-N 182.267 0.725 30 20 ACED C#CCN(C)C(=O)C1(C)CC1 307683637 UPCGGDPRWXQIJB-UHFFFAOYSA-N 151.209 0.878 30 20 ACED CO[C@@H](C(=O)NCC#N)C(C)C 307987429 RSAWTCJSXRAFLS-SSDOTTSWSA-N 170.212 0.297 30 20 ACED C#CCON=C(C)CCN(C)C 308176262 ZJSXNQNQGTVATF-UHFFFAOYSA-N 168.240 0.964 30 20 ACED CC#CCN[C@@](C)(C(N)=O)C(C)C 308188872 MBCYTIXDHJVEBM-SNVBAGLBSA-N 182.267 0.499 30 20 ACED C[C@H](O)CCCn1cc(C#N)cn1 308338645 PLGKYCGKNGWPLV-QMMMGPOBSA-N 179.223 0.916 30 20 ACED C[C@@H]1CCCN(CCC#N)[C@H]1CO 335715611 GHBBXVFXRXQAGO-ZJUUUORDSA-N 182.267 0.993 30 20 ACED COC(=O)[C@@H]1CCN(CC#N)C[C@H]1C 335876141 SZIXWNLVUZYSBW-RKDXNWHRSA-N 196.250 0.641 30 20 ACED CON=CC(=O)N(C)[C@H](C)C1CC1 379419724 YVOQAKFWMKLBKT-SSDOTTSWSA-N 184.239 0.876 30 20 ACED CCOCC(C)=NNCC(=O)O 382157281 RMSTWDHTVLBJIA-UHFFFAOYSA-N 174.200 0.073 30 20 ACED C#CC(=O)N(CCC#N)CCOC 393709084 RUSPCZRYBPHQEK-UHFFFAOYSA-N 180.207 0.008 30 20 ACED CC[C@H](NC(=O)[C@@H](C#N)CC)[C@@H](C)O 395712883 DNYFPTRKLGKHOR-HLTSFMKQSA-N 198.266 0.812 30 20 ACED CCC[C@H](C#N)NC(=O)CCCCO 601025341 ACTSHFIAKCJYPV-SECBINFHSA-N 198.266 0.957 30 20 ACED N#Cc1cn(CC[C@@H]2CCCO2)nn1 603335532 MBRWQOCMJPOZNM-VIFPVBQESA-N 192.222 0.719 30 20 ACED C[C@@H](C(=O)NC1(C#N)CCC1)N(C)C 610559990 HNNYFAYMRXHXTI-QMMMGPOBSA-N 195.266 0.499 30 20 ACED 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C#CCNC(=O)NCC[C@H](C)N(C)C 849226776 YJONEKXXJDMXHU-VIFPVBQESA-N 197.282 0.259 30 20 ACED C#C[C@H](CC)NC(=O)N[C@H]1C[C@H](O)C1 854080563 UKFSQNOAWLPWAJ-IWSPIJDZSA-N 196.250 0.221 30 20 ACED C=C[C@@](C)(O)C(=O)N1C[C@H]2C=C[C@H]1C2 882426790 ZBGXZUDFRBZAGP-ATZCPNFKSA-N 193.246 0.710 30 20 ACED C=CC1(OC(=O)c2cn(C)nn2)CC1 893358707 KQGOQGYKFFUGOV-UHFFFAOYSA-N 193.206 0.691 30 20 ACED C#C[C@H](C)NC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 907491046 IAGUZHIYVLEMTE-AKEJEFCPSA-N 191.230 0.349 30 20 ACED CC#CCNC(=O)N[C@H]1COC[C@H]1C 923216465 GVOUDEIBVXUWSO-BDAKNGLRSA-N 196.250 0.344 30 20 ACED C[C@H]1CCN(C(=O)NCC#CCO)C1 923777975 VXEBUJSJOPFXKQ-VIFPVBQESA-N 196.250 0.034 30 20 ACED C#CCNCCCNC(=O)[C@H](C)CC 1154772188 GGQKRRJKWTVCCE-SNVBAGLBSA-N 196.294 0.762 30 20 ACED C=C(C)CCC(=O)N1CCOCCN1 1335976687 CMDDXGFPPGBNPM-UHFFFAOYSA-N 198.266 0.706 30 20 ACED C#C[C@@H](C)N(C)C(=O)C#CCOC 1347764388 SZPBNTWSLLEONG-SECBINFHSA-N 179.219 0.116 30 20 ACED C[C@@H](CC#N)NC(=O)CCC(=O)O 50391779 PZVQKSLTZABDJO-LURJTMIESA-N 184.195 0.270 30 20 ACED C#CCN[C@@](C)(CCC)C(=O)OC 51964531 YWPHTJIDIZYBGT-JTQLQIEISA-N 183.251 0.941 30 20 ACED C[C@H](C#N)C(=O)N(C)[C@H](C)CC#N 63093556 UUJMOZDQHGVIHM-HTQZYQBOSA-N 179.223 0.907 30 20 ACED C=CCN1CCN(CC(C)(C)O)CC1 82403977 WGJIQDADQTTWGL-UHFFFAOYSA-N 198.310 0.561 30 20 ACED CC[C@]1(COC)O[C@@]1(C)C(=O)OC 85657865 GIBVZOXLSAZKJP-DTWKUNHWSA-N 188.223 0.744 30 20 ACED C#CCNC(=O)CN1CCC[C@H]1C 85684993 OAQSXWLIILOCQY-SECBINFHSA-N 180.251 0.220 30 20 ACED C[C@@](O)(C=O)C1(CN)CCC1 85926032 CDHBKJUWZIGLRM-SSDOTTSWSA-N 157.213 0.065 30 20 ACED C[C@@H](C#N)C(=O)N(C)CC[C@@H](C)O 130557509 AORLWTXATATUCU-JGVFFNPUSA-N 184.239 0.375 30 20 ACED CCOC(=O)C#Cc1ccnn1C 135336225 SHCRATGMYVLJRO-UHFFFAOYSA-N 178.191 0.335 30 20 ACED C#CCN(C)C(=O)[C@@H]1CO[C@@H](C)C1 162361775 WIDKAGQDYGVGID-IUCAKERBSA-N 181.235 0.503 30 20 ACED CC(C)(C#N)CNC(=O)c1ccon1 163786206 BQECHJXPKYROCO-UHFFFAOYSA-N 193.206 0.954 30 20 ACED C#CCOC(=O)CCCC(=O)OC 166046225 ROKFLBKZEFHFGU-UHFFFAOYSA-N 184.191 0.506 30 20 ACED C#CCCC(=O)C1(N)CCC1 226780522 VPUYIVNFBIVCAP-UHFFFAOYSA-N 151.209 0.850 30 20 ACED CC#CC(=O)NC[C@H]1CC[C@@H](O)C1 227537501 AWVCXPCLUPGSSQ-DTWKUNHWSA-N 181.235 0.287 30 20 ACED CC#CC(=O)N[C@](C)(CC)CO 234116228 JKYCYZNNKJRMIA-SECBINFHSA-N 169.224 0.287 30 20 ACED N#CCC(=O)N1CCC[C@H](CN)C1 257935685 LCRIPGHRTPVADE-MRVPVSSYSA-N 181.239 0.097 30 20 ACED C=C[C@@H](C(=O)O)N(C)C[C@H]1CCCO1 301013110 GYFVWMZWUHVIMX-BDAKNGLRSA-N 199.250 0.736 30 20 ACED C=C[C@H](COC)NC(=O)C(F)(F)F 306332949 DFIHMENMYTUXIR-RXMQYKEDSA-N 197.156 0.866 30 20 ACED C[C@H](O)CNc1cccc(CC#N)n1 306392049 FBROXYWWHHVNFP-QMMMGPOBSA-N 191.234 0.940 30 20 ACED C#CC(=O)N1CC[C@@H](O)CC(C)(C)C1 306522799 QKXXYTLEJXICBI-SECBINFHSA-N 195.262 0.629 30 20 ACED C#CCNC(=S)N1CCOC[C@H]1C 306729742 OYGWAUIXNOUXNT-MRVPVSSYSA-N 198.291 0.215 30 20 ACED C[C@H](C#N)CNC(=O)N1CCC1 307024317 YOKREFAVFCQAIS-SSDOTTSWSA-N 167.212 0.561 30 20 ACED C=C(Cl)Cn1cnc(C(=O)O)n1 307293840 MUYDQRJPTGJHDJ-UHFFFAOYSA-N 187.586 0.729 30 20 ACED CC#CCN1CCN(C)C[C@H]1C 307751623 ORPCUEHNPWMCBE-SNVBAGLBSA-N 166.268 0.646 30 20 ACED C#C[C@H](C)N(C)C(=O)CCOCC 308313086 UDQABEBLRHWPFL-VIFPVBQESA-N 183.251 0.893 30 20 ACED C=C[C@H](CO)NCc1cncn1C 308390884 YGGUTHKVAPOTDS-MRVPVSSYSA-N 181.239 0.057 30 20 ACED CC[C@@]1(O)CCN(C(=O)[C@@H](C)C#N)C1 336116712 VDQZFQNKRANNKJ-WCBMZHEXSA-N 196.250 0.519 30 20 ACED CC#CCN1C(=O)C[C@H](C)C1=O 336555755 NFBXLDANCZPDIU-ZETCQYMHSA-N 165.192 0.405 30 20 ACED N#CCCCNCc1cnc[nH]1 379328666 QQBHEHSXOLSJJI-UHFFFAOYSA-N 164.212 0.803 30 20 ACED C=CCOCCN[C@H](C)[C@H](C)O 379335350 SXKSEXNITVJALU-BDAKNGLRSA-N 173.256 0.548 30 20 ACED C#CC[C@H](NC(=O)OCCC)C(=O)O 379487096 KJFFSXRCWFIOSQ-ZETCQYMHSA-N 199.206 0.599 30 20 ACED C=CCOCC(=O)N(C)[C@H]1CCNC1 380192855 PPPGVDQJZFTLQP-VIFPVBQESA-N 198.266 0.009 30 20 ACED C#CCCCOC(=O)[C@@H]1CCOC1 381934812 RXWKGSSLHCVNSF-SECBINFHSA-N 182.219 0.980 30 20 ACED C#CCNC(=O)CN(C)C(C)(C)C 382206812 CFDMPJWVLKFOIV-UHFFFAOYSA-N 182.267 0.466 30 20 ACED C=C[C@H](C)NC(=O)CN(C)C(C)=O 388934853 VGGTUHCWNBSUEV-ZETCQYMHSA-N 184.239 0.155 30 20 ACED C=C(C)COC(=O)c1cnn[nH]1 393377099 XCRXERCQEVAMDM-UHFFFAOYSA-N 167.168 0.538 30 20 ACED C[C@H](CCO)CC/N=C1/NC[C@@H](C)N1 397755814 RYGXKOQUTUCFOA-DTWKUNHWSA-N 199.298 0.332 30 20 ACED N#CCCC1(F)CNC1 575623159 JXOSJNZBJIFWBH-UHFFFAOYSA-N 128.150 0.602 30 20 ACED CC(C)(C#N)CNC(=O)[C@H](O)C1CC1 597489472 LDPQEVRIOJAQFD-MRVPVSSYSA-N 196.250 0.423 30 20 ACED C=CCCC(=O)NC/C=C/CO 617689240 GDYYUVQIMFFFGD-SNAWJCMRSA-N 169.224 0.617 30 20 ACED C=C[C@H](O)C(=O)Nc1cccc(C)n1 646585650 MTMNQODPHMFGHO-QMMMGPOBSA-N 192.218 0.875 30 20 ACED C=C(C)CNC(=O)N[C@H](C)CNC 659642117 VFEDOXDXRRPLOM-MRVPVSSYSA-N 185.271 0.470 30 20 ACED C=C[C@H](CO)NCCCCF 662168878 YMWUERVVHWTYDS-MRVPVSSYSA-N 161.220 0.873 30 20 ACED C=C[C@H](O)C(=O)N1CCCC[C@@H]1C 665168362 FAHYLPKFFPEFIH-IUCAKERBSA-N 183.251 0.934 30 20 ACED C=C1CCN(C(=O)[C@@H](O)C2CC2)CC1 668304555 QEQLJDKOAYRPHY-JTQLQIEISA-N 195.262 0.936 30 20 ACED CC#CCN(C)CCNC(=O)C(C)C 678087696 VWXSESFWXAKMTA-UHFFFAOYSA-N 196.294 0.714 30 20 ACED C[C@@H](C#N)OC(=O)CCNC(=O)O 736200246 AWAGRULOFYTPIR-YFKPBYRVSA-N 186.167 0.099 30 20 ACED C[C@H](CO)NN=C1CCn2cccc21 749822034 UDJYYRWBCBBINB-MRVPVSSYSA-N 193.250 0.566 30 20 ACED C[C@@H](C#N)CNC(=O)[C@H](O)C(C)(C)C 765032435 FQHIMEYJVPRIQB-YUMQZZPRSA-N 198.266 0.669 30 20 ACED C#CCNC(=O)c1cn(CCC)nn1 766318101 OHAGQCUUXUBTSD-UHFFFAOYSA-N 192.222 0.051 30 20 ACED C[C@H](C(=O)NCC#N)c1ccccn1 773894904 RRZJIAVOFFWQIX-QMMMGPOBSA-N 189.218 0.825 30 20 ACED CC#CC(=O)N1CCOC2(CCC2)C1 801180511 ZEAIUHXUCQNNHX-UHFFFAOYSA-N 193.246 0.791 30 20 ACED C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCOC1 812178581 CBQUKICUMKZBHZ-RKDXNWHRSA-N 196.250 0.438 30 20 ACED C#CCN(CC)C(=O)[C@@H](CC)[C@H](C)O 842233762 WILZLUDVMWWMHS-UWVGGRQHSA-N 197.278 0.875 30 20 ACED C=C[C@H](C)ONC(=O)c1cc[nH]n1 846549334 JDIYUWCVDMYEPW-LURJTMIESA-N 181.195 0.646 30 20 ACED C#CCOCCN1CCOCC[C@@H]1C 851905125 AGDHXOKKQSROQC-NSHDSACASA-N 197.278 0.747 30 20 ACED C#C[C@H](C)N(C)CN1CCC1=O 857235093 OJTGMRBZQXSBRA-QMMMGPOBSA-N 166.224 0.130 30 20 ACED C#CCN(C)C[C@H]1CCO[C@@H]1C 878502132 WPFRZBQLUZNTSD-NXEZZACHSA-N 167.252 0.976 30 20 ACED C=C(C)CCNCC[N+](=O)[O-] 905274946 VHDJLWZYQYAAJJ-UHFFFAOYSA-N 158.201 0.819 30 20 ACED N#CCCCC(=O)Nn1ccnn1 908829395 LDHHVZWSFNJMHL-UHFFFAOYSA-N 179.183 0.042 30 20 ACED CC1(C)CN(C(=O)NCC#CCO)C1 923771397 OTPYZSZCXLSXLX-UHFFFAOYSA-N 196.250 0.034 30 20 ACED N#CC[C@@H](O)CN1CCC(F)(F)C1 1119774576 KGRKUJMXFIWRFT-SSDOTTSWSA-N 190.193 0.602 30 20 ACED C#CCCNCCNC(=O)CCC=C 1124640300 BYVAOEWBIBWRIC-UHFFFAOYSA-N 194.278 0.682 30 20 ACED C#CCN[C@@H](C)C[C@@H](C)NC(=O)CC 1133419637 QMMWIXQFJGTSGS-VHSXEESVSA-N 196.294 0.903 30 20 ACED C#C[C@@H](C)NC(=O)N[C@@H](C=C)COC 1321091665 VBQWODCNFRXLIL-BDAKNGLRSA-N 196.250 0.508 30 20 ACED COCC#CC(=O)NC[C@H](C)C1CC1 1350605532 LCEMDZDTMWXLKX-VIFPVBQESA-N 195.262 0.799 30 20 ACED C=CC[C@@H](C)NC(=O)[C@H]1C[C@H]1CN 1574888129 ACJMMHJTJXGPIP-VGMNWLOBSA-N 182.267 0.662 30 20 ACED C[C@@H](OC(=O)CC(C)(C)C#N)C(=O)O 1589155633 KEIRJMBLJWZTJI-ZCFIWIBFSA-N 199.206 0.943 30 20 ACED O=C(O)CCCNC(=O)C#CC1CC1 1595048242 HIYMHRJRVOBLGS-UHFFFAOYSA-N 195.218 0.381 30 20 ACED C=CCn1cnnc1CC1CNC1 1898240710 KARCXHZNSXQBGJ-UHFFFAOYSA-N 178.239 0.226 30 20 ACED C[C@H](CC#N)N[C@H](C)c1nncn1C 50418980 DHCLWZAGLZXSBO-HTQZYQBOSA-N 193.254 0.768 30 20 ACED Cc1cc(NC(=O)CC#N)[nH]n1 82254862 KMLORVJBYYJPTN-UHFFFAOYSA-N 164.168 0.570 30 20 ACED N#C[C@@H]1CN(c2nccs2)CCO1 82473577 IACRKCBGFLONIU-SSDOTTSWSA-N 195.247 0.872 30 20 ACED CN1CCN(c2ccc(C#N)o2)CC1 83341647 DTVKHOXRVJHREO-UHFFFAOYSA-N 191.234 0.903 30 20 ACED C[C@@H](C#N)NC(=O)C[C@@H]1CCCCO1 87263038 RVEYKDZAFHPEJQ-IUCAKERBSA-N 196.250 0.974 30 20 ACED C[C@@H](C#N)C(=O)N[C@H](C)CCCO 87360330 ZPGDANZGIJYUAD-JGVFFNPUSA-N 184.239 0.423 30 20 ACED C=CC[C@H](C)NC[C@@H](O)COCC 122197465 FJCIULQTCBHESP-VHSXEESVSA-N 187.283 0.938 30 20 ACED C=CCCNC(=O)c1cnc[nH]1 168937359 GYGTXXNLSOWIRA-UHFFFAOYSA-N 165.196 0.716 30 20 ACED C#C[C@H](C)NC(=O)c1c[nH]c(C)n1 306354874 JGBYJUOXPYUIFF-LURJTMIESA-N 177.207 0.470 30 20 ACED C/C=C/C(=O)N[C@@H](C#N)CC 306515232 VVXZEZXEKUJQJC-OHCKJTPYSA-N 152.197 0.981 30 20 ACED N#Cc1nc(N)n(CC(F)F)c1C#N 306984529 MCYABVIJYHJMPE-UHFFFAOYSA-N 197.148 0.474 30 20 ACED N#C[C@@H]1OC12CCC2 307027438 IDKNAZAXAIYONO-YFKPBYRVSA-N 109.128 0.831 30 20 ACED C=CCn1nc(OC)ccc1=O 307476993 VFUWBVOPEOMWKL-UHFFFAOYSA-N 166.180 0.438 30 20 ACED C/N=C(\NC)NOC1CCCC1 307496657 NPVWPLPXUKKJGA-UHFFFAOYSA-N 171.244 0.655 30 20 ACED C#CC(=O)N1CCC[C@@H](OC)C1 307549107 NCJPHQRKPKDVMV-MRVPVSSYSA-N 167.208 0.257 30 20 ACED C#CCOC(=O)C1(O)CCC1 307621869 PCRQLKNESCNMOM-UHFFFAOYSA-N 154.165 0.078 30 20 ACED C=CCNN=C1CCO[C@@H]1C 307882933 SBGBUBPEBZCRRA-SSDOTTSWSA-N 154.213 0.927 30 20 ACED C=CCCN(C)C(=O)CC#N 307888245 ZGABRLUQAZQBAL-UHFFFAOYSA-N 152.197 0.935 30 20 ACED N#CCN(Cc1c[nH]cn1)C1CC1 308423718 VDBZFSXYHJTVJZ-UHFFFAOYSA-N 176.223 0.898 30 20 ACED C[C@H]1C[C@@]1(C#N)C(=O)N1CCOCC1 335227919 FKRLRSYVKFKAPV-WPRPVWTQSA-N 194.234 0.395 30 20 ACED C[C@@H]1CN(C)CCN1CC1(C#N)CC1 336123502 MQNVQKGTKOKWNO-SNVBAGLBSA-N 193.294 0.926 30 20 ACED C=C(C)CNC(=N)NC[C@H](C)O 379367452 VBLSDSTZIJBSIZ-ZETCQYMHSA-N 171.244 0.057 30 20 ACED C=CCOC(=O)[C@H]1CCC(=O)NC1 379391137 OYTSCVXXWMZNGH-ZETCQYMHSA-N 183.207 0.242 30 20 ACED C=C[C@H](O)C(=O)O[C@H](C)C(=O)CC 388247040 UCLZUPDLWSVSFL-SVRRBLITSA-N 186.207 0.444 30 20 ACED C#CCCCNC(=O)C1=COCC1 388338275 IJXCYNDASKKLGW-UHFFFAOYSA-N 179.219 0.820 30 20 ACED CC(CCCCO)=Nn1cnnc1 388633465 LRTXQYISKBDJHV-UHFFFAOYSA-N 182.227 0.665 30 20 ACED N#Cc1ccn(CC2(CO)COC2)c1 611115013 CCFDPFBYUWGSAT-UHFFFAOYSA-N 192.218 0.369 30 20 ACED COC(=O)[C@@H](C)N(CC#N)C1CCC1 616806146 ZFBIPCRAEDFNKF-MRVPVSSYSA-N 196.250 0.926 30 20 ACED C=C[C@H](O)C(=O)Nc1cnn(CC)c1 646663608 GZPHAHBOFRHIQZ-QMMMGPOBSA-N 195.222 0.388 30 20 ACED C=C[C@H](CO)NCCn1cccn1 662165348 CRCGTIQKTNMNTM-SECBINFHSA-N 181.239 0.020 30 20 ACED 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C#CCNC(=O)N1CCC[C@H](C#N)C1 905143058 UTOPEQRRYIVWFM-SECBINFHSA-N 191.234 0.565 30 20 ACED N#CCSCCCOC(=O)CO 909117380 QJLVXOGCIPTWOX-UHFFFAOYSA-N 189.236 0.169 30 20 ACED C#CCOCCS(=O)(=O)CC 917947684 MDWHHPXTHNIKBC-UHFFFAOYSA-N 176.237 0.071 30 20 ACED C#CCCN1CCOC[C@@H]1COC 933332013 PCBUBXIMMATZHQ-JTQLQIEISA-N 183.251 0.357 30 20 ACED C=C(CO)C(=O)NN1CCCC[C@@H]1C 1119654731 ZNYIFIYUDOBKMH-VIFPVBQESA-N 198.266 0.441 30 20 ACED C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@H]1N 1246563281 PVATWEHSYLHWRU-LMLFDSFASA-N 193.294 0.958 30 20 ACED C=C[C@H](COC)NC(=O)C#CC(C)C 1328347768 AVMXFUCAOSWQIA-SNVBAGLBSA-N 195.262 0.963 30 20 ACED C#CCCOC(=O)N(C)CC(=O)O 1588396273 RNGJDZAXANULHK-UHFFFAOYSA-N 185.179 0.163 30 20 ACED CCC(=O)CCN(CC#N)CC(=O)O 1594695127 BXDJOEHNADEJKI-UHFFFAOYSA-N 198.222 0.266 30 20 ACED CCN(CC#N)Cc1cnn(C)c1 50539875 UTILCIKKUBMLRS-UHFFFAOYSA-N 178.239 0.766 30 20 ACED C=CCNC(=O)[C@@H](NC(C)=O)C(C)C 70223134 YFLZTJIVXGLPHL-VIFPVBQESA-N 198.266 0.449 30 20 ACED N#Cc1cccc(NCCC(=O)O)n1 81594137 PDHZURNIDRIOPM-UHFFFAOYSA-N 191.190 0.840 30 20 ACED CC1(C)C(=O)NCCN1CCC#N 82475386 BFMNDRSDNYJKFC-UHFFFAOYSA-N 181.239 0.110 30 20 ACED CN(CC1(O)CCCC1)C(=O)CC#N 158894828 GASSWAKMKXYXPY-UHFFFAOYSA-N 196.250 0.664 30 20 ACED CC#CC(=O)N(C)CC(C)(C)O 227881620 TVZYIUGVIUYVME-UHFFFAOYSA-N 169.224 0.239 30 20 ACED C#CCCCCNc1nnnn1C 229738134 SRNUJGKXTMKSMI-UHFFFAOYSA-N 179.227 0.426 30 20 ACED CC#CC(=O)N1CC[C@](C)(C(=O)O)C1 232598913 HBSJKVCXRMONSH-JTQLQIEISA-N 195.218 0.333 30 20 ACED C#CC(=O)N[C@@H](C#C)CCC 233294564 LIFLFVHNIDPXIP-QMMMGPOBSA-N 149.193 0.538 30 20 ACED Cc1conc1C(=O)N(C)[C@@H](C)C#N 259633675 KVHYUDVHLFFEHV-ZETCQYMHSA-N 193.206 0.967 30 20 ACED C=C[C@H](N[C@H](C)[C@@H](C)CO)C(=O)O 301051947 VDTMIANCOYRKJA-RNJXMRFFSA-N 187.239 0.232 30 20 ACED CCCC(=O)N1CCOC[C@@H]1C#N 306169888 XAGTYYWIULNLNE-QMMMGPOBSA-N 182.223 0.537 30 20 ACED C[C@H](CC#N)NC(=O)C1=COCC1 306288395 MOXAMQCVEFZXPD-SSDOTTSWSA-N 180.207 0.709 30 20 ACED C#CCOC(=O)c1cnccn1 306606773 RZBJMYOIPQLAOY-UHFFFAOYSA-N 162.148 0.267 30 20 ACED C#CC(=O)NC[C@@H](O)c1ccco1 306884456 QKXOPCKMFMFUAD-SSDOTTSWSA-N 179.175 0.062 30 20 ACED C=C[C@H](C)NC(=O)CC1OCCO1 307281219 AJXNVPCUSCSAPN-ZETCQYMHSA-N 185.223 0.440 30 20 ACED C#C[C@H](C)NC(=O)c1ccc(C)nn1 307354273 XDYDQBKOLPSLLF-ZETCQYMHSA-N 189.218 0.537 30 20 ACED C[C@H](C#N)CNC(=O)C1(O)CCC1 307687863 DVLLYNNPIPIBQL-SSDOTTSWSA-N 182.223 0.177 30 20 ACED C#CCN(C)C(=O)c1noc(C)n1 307736490 RZVPCQJGRUEMEZ-UHFFFAOYSA-N 179.179 0.083 30 20 ACED C=CCOC(=O)COC(F)F 307923663 NZGJQTKCYDMFNA-UHFFFAOYSA-N 166.123 0.955 30 20 ACED C#CCOCCC(=O)N(C)C(C)C 308160377 UUBIGHHSHIKQPZ-UHFFFAOYSA-N 183.251 0.893 30 20 ACED O=C(O)CNN=Cc1ccccc1F 378870365 MDVNNFAYDRKKER-UHFFFAOYSA-N 196.181 0.834 30 20 ACED C#CCCONC(=N)[C@@H]1CCCO1 379358880 WSPKJKMDCXSJBI-QMMMGPOBSA-N 182.223 0.687 30 20 ACED N#CCCCOC(=O)[C@H](O)C1CC1 379376769 VAQWUMPWIDEYDX-MRVPVSSYSA-N 183.207 0.604 30 20 ACED CC#CCCNC(=O)[C@@H](O)C(C)C 379384630 PDVUSLCJKPCEJS-VIFPVBQESA-N 183.251 0.533 30 20 ACED C=CCN(C)C1(CO)CCOCC1 379394079 WKKPHYSKURZBES-UHFFFAOYSA-N 185.267 0.646 30 20 ACED C=C[C@H](COC)NC(=O)N(C)OC 379397328 DSCXVLYLOZOIMU-SSDOTTSWSA-N 188.227 0.390 30 20 ACED N#CCC(=O)N1CCC[C@H](F)C1 409423366 NUBZTVQMUVPGQG-ZETCQYMHSA-N 170.187 0.861 30 20 ACED C=C[C@H](CO)N[C@@H](C(=O)OC)C1CC1 595864227 WCQWBBOAQZKYSQ-RKDXNWHRSA-N 199.250 0.075 30 20 ACED CC[C@H](C#N)C(=O)NC1([C@H](C)O)CC1 598387983 WBYYLOUTYKMNBI-JGVFFNPUSA-N 196.250 0.566 30 20 ACED C=C(C)Cn1cc(CCO)nn1 640803545 MADDZNSDNXCXFC-UHFFFAOYSA-N 167.212 0.389 30 20 ACED C=CCC[C@H](O)CN1C[C@H](O)C[C@H]1C 677728549 GUNJXMIFZFBRDY-OUAUKWLOSA-N 199.294 0.769 30 20 ACED C=C(C)Cn1cc([C@H](C)N)nn1 688964259 MUXUSYAJEWFXDY-ZETCQYMHSA-N 166.228 0.874 30 20 ACED C#C[C@@H](NC1=NC[C@@H](C)N1)C(C)(C)C 702235634 BNLPMKFULCZECW-RKDXNWHRSA-N 193.294 0.972 30 20 ACED N#CCNC1(C(=O)O)CCCCC1 739087491 JIHOCKGNZXWRSH-UHFFFAOYSA-N 182.223 0.887 30 20 ACED C#CCN1CCC[C@H](CNC(C)=O)C1 742615186 RCFQLLXMQTXIMO-LLVKDONJSA-N 194.278 0.468 30 20 ACED C=CCCCC(=O)N[C@H](C)CC(N)=O 748323289 HRJSZOFBVJUQLE-MRVPVSSYSA-N 198.266 0.723 30 20 ACED C#CCCOC(=O)C1(C(=O)OC)CC1 766830215 LDWAADCSMDRQDY-UHFFFAOYSA-N 196.202 0.506 30 20 ACED C#CCCOC(=O)[C@H]1CCN(C)C1=O 772535565 RUHZFFQHSUEILZ-QMMMGPOBSA-N 195.218 0.031 30 20 ACED Cc1c[nH]cc(C(=O)OCC#N)c1=O 782173144 DAAOYCIVWPGYTK-UHFFFAOYSA-N 192.174 0.364 30 20 ACED C[C@@H](O)C[C@@H](C)NC(=O)NCCC#N 787359339 KFTAXPMYAIKOSV-HTQZYQBOSA-N 199.254 0.359 30 20 ACED C#CCNC(=O)N(C)[C@@H](CC)CO 820208625 QIVVZIGFGKRNTD-QMMMGPOBSA-N 184.239 0.032 30 20 ACED C#C[C@H](C)NC(=O)N(C)CCCO 820413386 ZLPDQHNDJLHLJL-QMMMGPOBSA-N 184.239 0.032 30 20 ACED C=CCCN[C@@]1(C(=O)O)CCOC1 833374318 XPBKTLSEFCIHDQ-VIFPVBQESA-N 185.223 0.396 30 20 ACED C=CCNC(=N)N[C@H](CO)CCF 849050022 WZORRFMLKRZSAB-ZETCQYMHSA-N 189.234 0.007 30 20 ACED C=CCOC(=O)c1cn(C2CC2)nn1 860030628 ISPZEIRQXRLVMY-UHFFFAOYSA-N 193.206 0.956 30 20 ACED N=C(N)NN=Cc1cnc(C2CC2)o1 863079502 PFXJIRPWZDRFMV-UHFFFAOYSA-N 193.210 0.369 30 20 ACED C[C@@H]1C(=O)CCCN1C(=O)CC#N 885047939 ICAMVNIACHGPBZ-SSDOTTSWSA-N 180.207 0.480 30 20 ACED N#CC1(C(=O)N2CC[C@H]2CO)CCC1 889140864 SZHNSOCPOQWRLY-QMMMGPOBSA-N 194.234 0.273 30 20 ACED CCNS(=O)(=O)CC(C)(C)C#N 913826294 KYJBJYCKBWDPHT-UHFFFAOYSA-N 190.268 0.475 30 20 ACED N#CCCCCN1CC[C@H]1CO 934023600 JQSDKWRSGCSYBS-VIFPVBQESA-N 168.240 0.747 30 20 ACED C#CCOCCN(C)CC 1320282142 PKNCBJOTWNOIGI-UHFFFAOYSA-N 141.214 0.588 30 20 ACED CC(=Nn1cnnc1)c1coc(C)n1 1321599554 YBNSTCHYKFPVIA-UHFFFAOYSA-N 191.194 0.847 30 20 ACED N#CCC(=O)N1CCn2cncc2C1 1324102088 OIDOOOXALQSGHX-UHFFFAOYSA-N 190.206 0.139 30 20 ACED C#CCN(C(=O)[C@H]1C[C@H]1F)C1CC1 1521445694 VLEVRDXGAJSIAG-DTWKUNHWSA-N 181.210 0.969 30 20 ACED C[C@H](CC#N)C(=O)N[C@H](C)C(=O)O 1603119212 UCIXWCRYTXGDHI-PHDIDXHHSA-N 184.195 0.125 30 20 ACED CC[C@@H](CC#N)NC(=O)[C@H]1CCOC1 54177854 DZBOXZGJWNVUMY-IUCAKERBSA-N 196.250 0.831 30 20 ACED C=CCCO[C@H](C)C(N)=O 59420203 ZOOPQWCVTXGJAH-ZCFIWIBFSA-N 143.186 0.453 30 20 ACED C=CCCC[C@H](NC(C)=O)C(=O)O 59950717 ZVDXOSIRDRVROR-QMMMGPOBSA-N 185.223 0.932 30 20 ACED CC[C@H](COC)NC(=O)[C@H](C)C#N 70659230 VBHYTOKQLDWGAG-HTQZYQBOSA-N 184.239 0.687 30 20 ACED C[C@@H](CC#N)NC(=O)C[C@H]1CCCO1 82269015 VGIQYUVZURHQKK-DTWKUNHWSA-N 196.250 0.974 30 20 ACED C#CCNC(=O)[C@H]1CCCCC[C@H]1N 87221847 IODDHFZXYSQMCQ-VHSXEESVSA-N 194.278 0.643 30 20 ACED CC[C@@](C)(C#N)C(=O)N[C@@H]1CCOC1 136279466 GVBNEVFDYHGNEO-SCZZXKLOSA-N 196.250 0.831 30 20 ACED O=C1C=C[C@@H](C(=O)O)C1 166279874 STBLLJMPQUSYBI-SCSAIBSYSA-N 126.111 0.216 30 20 ACED C=CCN(CC=C)Cc1ncn[nH]1 225515632 CONDXMXKSBRIIQ-UHFFFAOYSA-N 178.239 0.979 30 20 ACED C#C[C@H](CCC)NC[C@H](C)O 229972083 JNYQDZOGOOCCPM-DTWKUNHWSA-N 155.241 0.759 30 20 ACED COC(=O)C#C[C@@H]1CCCNC1 238348425 FZYGDROJUJGRIV-QMMMGPOBSA-N 167.208 0.162 30 20 ACED N#C[C@H](N)c1cc2cncnn2c1 261235169 WFIYCHGFZVGJIS-QMMMGPOBSA-N 173.179 0.253 30 20 ACED CC#CCN1CC[C@H](C)[C@H](O)C1 299891667 YRSUSOSTKWHYBC-VHSXEESVSA-N 167.252 0.712 30 20 ACED C=C[C@H](NCCn1cccn1)C(=O)O 301048774 QXHVUUBACHGSMQ-QMMMGPOBSA-N 195.222 0.112 30 20 ACED C=C[C@@H](NC[C@@H](C)OC)C(=O)OC 301052821 WXDLEWOOZRRBRG-HTQZYQBOSA-N 187.239 0.339 30 20 ACED C#CCNC(=O)NC[C@H](C)C#N 306255751 PFAHOUXNPWDPAM-SSDOTTSWSA-N 165.196 0.078 30 20 ACED CC(C)O/N=C(\N)[C@H]1CCCO1 306257725 QVTIVXSJGOFHJS-SSDOTTSWSA-N 172.228 0.863 30 20 ACED C#CCNC(=O)CN1CC[C@@H](C)[C@H]1C 306797278 XUNILNSZSDIICF-NXEZZACHSA-N 194.278 0.466 30 20 ACED c1ccc(NN=C2COC2)nc1 306855648 WCGADYZLPBGCSI-UHFFFAOYSA-N 163.180 0.880 30 20 ACED CN(CC#N)C(=O)c1ccn(C)c1 307012769 QJBHFLBVOJISLJ-UHFFFAOYSA-N 177.207 0.621 30 20 ACED C[C@H](CN)C(=O)C1=COCC1 307174935 RKOOEQZXXPOJKG-ZCFIWIBFSA-N 155.197 0.455 30 20 ACED C=CCN(C)[C@H](C)C[S@](C)=O 307896256 IZZXCIPLBSYQJE-KCJUWKMLSA-N 175.297 0.871 30 20 ACED C=CCCCC(=O)NCCCO 308072039 CGRFEIUQSONAHJ-UHFFFAOYSA-N 171.240 0.841 30 20 ACED C=CCN(C)Cc1ncnn1CC 308298283 JARSSPIXPOXLRF-UHFFFAOYSA-N 180.255 0.916 30 20 ACED Cc1ncsc1C=NOCC(N)=O 308383753 SDXJBJAPPQGOEZ-UHFFFAOYSA-N 199.235 0.287 30 20 ACED C=C[C@@H](COC)NC1CC(OC)C1 308443440 ZZLYSKGJQCWSNQ-IDKOKCKLSA-N 185.267 0.954 30 20 ACED N#CCCNC[C@H](O)C1CCC1 315812847 XVVBATDEHZYSQG-VIFPVBQESA-N 168.240 0.651 30 20 ACED C#C[C@@H](C)NC(=O)COCC=C 379318657 MEYDSUZXONOHFD-MRVPVSSYSA-N 167.208 0.327 30 20 ACED N#CCCCNC(=O)NCCF 379338222 FWYVYKQJWSNFBF-UHFFFAOYSA-N 173.191 0.559 30 20 ACED COC[C@@H](NC(=O)CC#N)C1CC1 379387635 HWASJDNCUWLFKS-MRVPVSSYSA-N 182.223 0.441 30 20 ACED CN(CCOCCC#N)[C@@H]1CCOC1 385389993 SDHCYKCXCCMHCH-SNVBAGLBSA-N 198.266 0.637 30 20 ACED C#CCNC(=O)NCCC(F)(F)F 388355809 QNAJFOCEJDXZOM-UHFFFAOYSA-N 194.156 0.871 30 20 ACED CC#CC(=O)N(C)C[C@H](C)OC 388433833 OUXNYGQQHXYHGR-QMMMGPOBSA-N 169.224 0.503 30 20 ACED CCOCC[C@H](O)CN(C)CC#N 393563292 JUABRRXXLGFLEG-VIFPVBQESA-N 186.255 0.229 30 20 ACED C=C[C@H](O)C(=O)OC[C@H]1CCCO1 394275734 AKZIMDLRCCTBTN-SFYZADRCSA-N 186.207 0.256 30 20 ACED COCC#Cc1cc2c(nn1)CCC2 585145504 YNSNDMRQJJWODV-UHFFFAOYSA-N 188.230 0.963 30 20 ACED C[C@@H]1COCC[C@@H]1CNC(=O)CC#N 588018917 JWHBJYLXSDINAZ-RKDXNWHRSA-N 196.250 0.689 30 20 ACED C=CCNC(=O)[C@@H](CC)C(=O)OCC 591011333 XHIZITPRIAWDNE-MRVPVSSYSA-N 199.250 0.878 30 20 ACED C=C(C)CCNCCC(=O)NC(N)=O 591770107 FXIHJYSRKRQIJB-UHFFFAOYSA-N 199.254 0.127 30 20 ACED N#Cc1cncnc1N1CCCCO1 591934543 YLGZATONGDOUHO-UHFFFAOYSA-N 190.206 0.880 30 20 ACED C/C=C\C[C@H](CO)NCCC#N 592430217 IIKXCFHKRSZHSS-PKRMOACSSA-N 168.240 0.817 30 20 ACED C[C@H](CO)CNC(=O)[C@@H](C)CC#N 597391131 POPAYKQXYMEASF-YUMQZZPRSA-N 184.239 0.281 30 20 ACED CCO[C@@H](C(=O)N(C)CC#N)C1CC1 599227153 VAMISXWFLIFSSA-SECBINFHSA-N 196.250 0.783 30 20 ACED CCC[C@H](N)c1cn(CC#N)nn1 600972238 CJSWCEJDSLVLPX-ZETCQYMHSA-N 179.227 0.602 30 20 ACED C=C[C@H](O)C(=O)NCC1(C2CC2)CC1 612857192 IMTQPFYMPGTATR-VIFPVBQESA-N 195.262 0.840 30 20 ACED C=C(C)Cn1cc(CNCC)nn1 640803805 POMHSSCQCBAOBB-UHFFFAOYSA-N 180.255 0.964 30 20 ACED CC#CCNC1(COC)CCOCC1 647951934 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0.604 30 20 ACED COc1ncccc1C(=O)NO 62088801 ZZVYANCSMGLZKT-UHFFFAOYSA-N 168.152 0.209 30 20 ACED C=CCNC(=O)[C@H]1CCC[C@@H](N)C1 70502677 YYKLVYGOHVQPDG-DTWKUNHWSA-N 182.267 0.806 30 20 ACED N#CCC(=O)N1C[C@@H]2CC[C@H](C1)O2 85542005 DSTNDJFRRJIGAI-OCAPTIKFSA-N 180.207 0.290 30 20 ACED C#CC(=O)[C@@H]1CCN[C@H]1C 135346481 LWOAGHRTDSIVOB-NKWVEPMBSA-N 137.182 0.187 30 20 ACED CC#CCNC1CCN(C(C)=O)CC1 160586421 VNJJHDXBNRFTGW-UHFFFAOYSA-N 194.278 0.610 30 20 ACED C[C@H](N)[C@@H](C)C(=O)N(C)[C@@H](C)CC#N 228615497 RLOUJKGOXFOLPK-YIZRAAEISA-N 197.282 0.730 30 20 ACED CCOC1(C=O)CCN(C)CC1 257944550 VMBIOBNHHUWWHL-UHFFFAOYSA-N 171.240 0.686 30 20 ACED C=C[C@@H](C(=O)OC)N1CC[C@@H](OC)C1 301047360 PKQAXMJDWPDWBE-BDAKNGLRSA-N 199.250 0.435 30 20 ACED C#CC/N=C(\NC)NC(C)(C)C 306187394 ASAVJZSNRKKLMY-UHFFFAOYSA-N 167.256 0.583 30 20 ACED CC#CCn1nc(C)sc1=O 306536463 NCGJSNIKSDVSIB-UHFFFAOYSA-N 168.221 0.637 30 20 ACED C#CCNC(=S)N[C@@H](C)CC 306547285 CBEDOTMUGCZWKE-ZETCQYMHSA-N 170.281 0.882 30 20 ACED CC[C@H](O)CN1CC[C@](F)(C#N)C1 306758994 OZXWEFGSROQDPX-IUCAKERBSA-N 186.230 0.695 30 20 ACED C#CCONC1CCS(=O)CC1 306802997 VBCGURJSJNVXAO-UHFFFAOYSA-N 187.264 0.052 30 20 ACED N#CC1(NC(=O)c2ccon2)CC1 307100068 SRLPTAJCXCROGY-UHFFFAOYSA-N 177.163 0.461 30 20 ACED CONC(=O)c1ccc(C#N)o1 307321370 QHYYZOXBLQIKRY-UHFFFAOYSA-N 166.136 0.442 30 20 ACED C=CCCN1CC(=O)NCC1(C)C 307514047 OGTUITNAHMIJFQ-UHFFFAOYSA-N 182.267 0.773 30 20 ACED C[C@H]1C[C@@H]1C/N=C(\N)N(C)C 307544300 WCAYMLPURPCVGO-NKWVEPMBSA-N 155.245 0.519 30 20 ACED CO[C@@H](C)[C@@H](C)NC(=O)CC#N 308021089 VRXYQCQTHBNMPC-RQJHMYQMSA-N 170.212 0.440 30 20 ACED C=CCCCC(=O)NCC(=O)O 308093445 VWBIQUZNHINROM-UHFFFAOYSA-N 171.196 0.544 30 20 ACED C=CCCCC(=O)N1CC[C@H](O)C1 308187527 KNMFHKODORASSK-VIFPVBQESA-N 183.251 0.936 30 20 ACED N=C(N)NN=C/C=C/c1ccco1 308420730 SROXWGDOHNSTKY-GEPGIHLSSA-N 178.195 0.762 30 20 ACED C#CCOCCC(=O)N(CC)OC 308488821 QGBOCKLYJLISOA-UHFFFAOYSA-N 185.223 0.436 30 20 ACED C#CCONC(=O)C[C@@H]1CCCCO1 308571268 KJSFWPRSWHLOHD-VIFPVBQESA-N 197.234 0.627 30 20 ACED CCc1nc(C(=O)N[C@H](C)C#N)co1 334587937 ATFWIXVYHCIHOV-ZCFIWIBFSA-N 193.206 0.879 30 20 ACED C[C@H](O)CN(C)CCOCCC#N 378872420 RCDGAGHWNKVMIP-VIFPVBQESA-N 186.255 0.229 30 20 ACED C=CCNC(=O)c1cc(C(=O)O)no1 379205784 BCUJSGPIGFMEJO-UHFFFAOYSA-N 196.162 0.289 30 20 ACED C#C[C@H](C)NC(=O)CCCC(C)=O 379389117 KWPLRADVTGXPCA-QMMMGPOBSA-N 181.235 0.884 30 20 ACED COC/C=C\C(=O)N(C)CCC#N 379405360 TVISIELYJMZQMM-HYXAFXHYSA-N 182.223 0.561 30 20 ACED O=C(O)CNN=C/C=C/c1ccco1 382299907 NCVRMIVCDQBUCP-BWQYAEQUSA-N 194.190 0.953 30 20 ACED C/N=C(/NC)NCCOC(C)C 386284825 OONVNKCOTHMGJQ-UHFFFAOYSA-N 173.260 0.206 30 20 ACED C#CCN(C)CC(=O)OCCCC 388285582 QFTVRNQQEVSSTO-UHFFFAOYSA-N 183.251 0.895 30 20 ACED C=C[C@H](CO)NC(=O)NCCCC 388301931 NZRLONVAVJSUHO-MRVPVSSYSA-N 186.255 0.633 30 20 ACED C=CCNC(=O)C[C@@H]1CCOC1 388501880 MKXXTGVRGXYAFO-QMMMGPOBSA-N 169.224 0.715 30 20 ACED CN(CCC#N)CC[C@@H]1CCNC1=O 395839304 BNMNIVOJEOXCKF-VIFPVBQESA-N 195.266 0.358 30 20 ACED C=C[C@H](C)ONC(=O)NC1CC1 400846728 LWCXZLVDFGKWNZ-LURJTMIESA-N 170.212 0.954 30 20 ACED C[C@@H]1[C@@H](C(=O)NCC#N)[C@@H]1C1CC1 528328924 IJECOGUMUPMQQO-CNUIFLNQSA-N 178.235 0.918 30 20 ACED Cc1nnc(C#CC(C)(C)O)s1 585144857 JVARJOZQFCCPOU-UHFFFAOYSA-N 182.248 0.969 30 20 ACED C=CCN1CC[C@@](O)(CC#N)C1 592146855 GNDCDEDFYPNEMK-VIFPVBQESA-N 166.224 0.523 30 20 ACED C[C@@H](C#N)CN(C)C(=O)[C@H]1C[C@@H](O)C1 602085797 XFAQDGJXZAVXCL-XHNCKOQMSA-N 196.250 0.375 30 20 ACED C=CC[C@@H](C)NC(=O)[C@@H]1COCCO1 604881347 IFCGJEVQLGPTSO-BDAKNGLRSA-N 199.250 0.483 30 20 ACED Cc1c(NC(=O)[C@H](C)C#N)nnn1C 606266274 MPDOAPHVNHPVIQ-RXMQYKEDSA-N 193.210 0.222 30 20 ACED C[C@H](C#N)C(=O)Nc1c[nH]ccc1=O 609920189 SBOJFTVAJYNUHQ-ZCFIWIBFSA-N 191.190 0.473 30 20 ACED N#CC1(Cn2nnc(C3CC3)n2)CC1 618965897 PWDCPBFTYSWEPS-UHFFFAOYSA-N 189.222 0.854 30 20 ACED CO[C@H](C(=O)NC(C)(C)C#N)C1CC1 619423554 JFQCYCCNIIVACB-QMMMGPOBSA-N 196.250 0.830 30 20 ACED C=C[C@H](CO)NC(=O)C1CC(OC)C1 628149182 PEVXTNJQCVONAS-QJAFJHJLSA-N 199.250 0.075 30 20 ACED C=CCOCCN[C@@H]1CNCC[C@@H]1C 643479487 FHPGZPPLORYNJY-WDEREUQCSA-N 198.310 0.777 30 20 ACED C=C[C@H](CO)NCc1ccno1 662168073 XOJJOEPVQFCDKQ-SSDOTTSWSA-N 168.196 0.311 30 20 ACED C=CCC[C@@H](O)CN1CC[C@](C)(O)C1 675497585 GUVKLVITPGQZSF-MNOVXSKESA-N 199.294 0.770 30 20 ACED C#CC(=O)N[C@H](C)Cc1ccccn1 694078932 SUCHOYYMMRHKPY-SECBINFHSA-N 188.230 0.762 30 20 ACED CCN1CC[C@H]1CNC(=O)[C@@H](C)C#N 712273795 YQBZJTICDOTQBO-IUCAKERBSA-N 195.266 0.356 30 20 ACED C#CCNC(=O)c1cccc(CO)c1 745485875 SAPQKNRNCADZNE-UHFFFAOYSA-N 189.214 0.542 30 20 ACED C#CCCCC(=O)N[C@H](C)C(=O)OC 760439674 GJSCTDAXMVNUCW-MRVPVSSYSA-N 197.234 0.468 30 20 ACED C=CCOC(=O)c1cc(OC)n(C)n1 772634784 QADMCYYPEBFEJU-UHFFFAOYSA-N 196.206 0.772 30 20 ACED C#Cc1cnc(NC[C@@H](O)CC)nc1 828241532 NPDDAWZWRGEGOZ-VIFPVBQESA-N 191.234 0.641 30 20 ACED C#C[C@@H](C)N(C)C(=O)[C@H](COC)OC 834552453 LNCPPUGQVLJXHW-BDAKNGLRSA-N 199.250 0.128 30 20 ACED COc1ccc(C(=O)NCCC#N)o1 847968841 QGCDZFRGTFTGMT-UHFFFAOYSA-N 194.190 0.932 30 20 ACED C#CCN1N=C(C)[C@@H](C2CC2)C1=O 871962124 XQNHMPJIBBVZAJ-VIFPVBQESA-N 176.219 0.864 30 20 ACED Cc1cc(C=NN[C@H]2CCOC2)no1 872415469 HSFXQXYGLUIJEA-QMMMGPOBSA-N 195.222 0.695 30 20 ACED C[C@H]1CCC(=O)CN1C(=O)[C@H](C)C#N 885090731 DWOXOWXRUUZOMS-SFYZADRCSA-N 194.234 0.726 30 20 ACED C[C@H](NC(=O)NCCC#N)C(C)(C)O 894484670 HSAVQOCNJOCUSA-ZETCQYMHSA-N 199.254 0.359 30 20 ACED C=CCN(C[C@H](O)[C@H](C)O)C1CC1 930176799 VDTNMHMNBQVONI-WPRPVWTQSA-N 185.267 0.379 30 20 ACED CC(C)(C)CC(=O)NCCNCC#N 1123611320 AXYNXDGPRQZBRP-UHFFFAOYSA-N 197.282 0.652 30 20 ACED N#CCN(Cc1nc[nH]n1)C1CC1 1327871027 UTCJYLMIXBRVKG-UHFFFAOYSA-N 177.211 0.293 30 20 ACED C#CCN(C)c1nnnn1CC(C)C 1355423287 RQOYUQWPPQKFLB-UHFFFAOYSA-N 193.254 0.399 30 20 ACED C=C(C)CCC(=O)OCC(=O)O 1588559716 RNBVHGQXHRNYNK-UHFFFAOYSA-N 172.180 0.971 30 20 ACED C=C(CC)C(=O)NCCCC(=O)O 1602712535 TXLPSZPOCRYDPI-UHFFFAOYSA-N 185.223 0.934 30 20 ACED CC(C)N(CCC(=O)O)C(=O)CC#N 1603877454 SSQPRAYLLFVEMW-UHFFFAOYSA-N 198.222 0.612 30 20 ACED N#CCN[C@@H]1CCC[C@@H]1C(=O)O 1608188600 YZOBHLYGXIYAAD-NKWVEPMBSA-N 168.196 0.353 30 20 ACED CCCCN(CCO)CCC#N 42207036 QUXJSXOMQAGOJX-UHFFFAOYSA-N 170.256 0.994 30 20 ACED Cc1nccc(CNC(=O)CC#N)n1 45008092 RZVNJDWEZBZRPZ-UHFFFAOYSA-N 190.206 0.315 30 20 ACED C=C(C)Cn1cc(CO)nn1 62315557 RIVNMYIGZNGKGE-UHFFFAOYSA-N 153.185 0.347 30 20 ACED CN(CC#N)C[C@@H](O)C(F)(F)F 82681209 FXAVHFJWBHLZOB-RXMQYKEDSA-N 182.145 0.365 30 20 ACED C#CCNC(=O)[C@@H]1CCO[C@H]1C 86761125 YJSGEHPEZQZQSA-JGVFFNPUSA-N 167.208 0.161 30 20 ACED C[C@@H]1CCN(C(=O)CC#N)C[C@H]1N 117743169 CFKHXFVQCSNGBE-HTQZYQBOSA-N 181.239 0.096 30 20 ACED C=CCn1cc(COC)nn1 206646735 LGLTWRZDPYGXHJ-UHFFFAOYSA-N 153.185 0.611 30 20 ACED C#C[C@H](CC)NC(=O)OC 211937903 WEQUQWCJSKUDGB-ZCFIWIBFSA-N 141.170 0.754 30 20 ACED C#C[C@H](CC)NC[C@H](O)COCC 229963429 POXRHCLVPRTAOC-ZJUUUORDSA-N 185.267 0.385 30 20 ACED Cc1c[nH]nc1C(=O)N(C)CCC#N 259690515 QOXCERJTCSHYSM-UHFFFAOYSA-N 192.222 0.704 30 20 ACED CCN1CC[C@@](O)(CC#N)C1 260400004 KUZADFNRRMBYJB-QMMMGPOBSA-N 154.213 0.357 30 20 ACED C[C@H](O)CCNc1cc(C#N)ncn1 306214452 XFGVKTXEUXTXBB-ZETCQYMHSA-N 192.222 0.531 30 20 ACED CC1=NN(C[C@@H](C)C#N)C(=O)C1 306421498 ZPYLLLKSPIKYBL-LURJTMIESA-N 165.196 0.754 30 20 ACED C[C@@H](CC#N)Nc1nccn(C)c1=O 306514294 UDCJOHVNSFVGSU-ZETCQYMHSA-N 192.222 0.494 30 20 ACED C[C@H](C#N)CN[C@@H]1CCNC(=O)CC1 306942450 SQYPHEAHTHGTET-BDAKNGLRSA-N 195.266 0.404 30 20 ACED C#CCNc1ncnc2c1ncn2C 307722628 SPWIYTBYAXICKL-UHFFFAOYSA-N 187.206 0.408 30 20 ACED C=C[C@](C)(O)CC(=O)N(C)C 307732436 PRPKOZIDIDKIIR-QMMMGPOBSA-N 157.213 0.402 30 20 ACED Cn1nccc1C=NNC1CC1 308091047 SUKPWNIWDWMBAF-UHFFFAOYSA-N 164.212 0.506 30 20 ACED C#CCC[C@@H](O)CNC(=O)NCC 308173660 CKRNKIKMINLGOJ-MRVPVSSYSA-N 184.239 0.080 30 20 ACED C#CCNC(=O)CS[C@H](C)C(C)=O 308298692 KYTYUKIPKGGTJU-MRVPVSSYSA-N 199.275 0.447 30 20 ACED N#CCNC(=O)CSc1ncc[nH]1 308424870 VWYSHMLPJXJZPO-UHFFFAOYSA-N 196.235 0.142 30 20 ACED C[C@H](CC#N)NCCc1cnccn1 308686794 ZUTOZGNVYXUTIV-SECBINFHSA-N 190.250 0.911 30 20 ACED Cc1cc(C#N)c(=O)n(C[C@@H](C)O)c1 335461983 HEKWALZHCHAARX-MRVPVSSYSA-N 192.218 0.409 30 20 ACED CCCCN(C)C[C@H](O)CC#N 379338958 SVJSVPJXPVWTRJ-SECBINFHSA-N 170.256 0.993 30 20 ACED COC(=O)C1(C(=O)OCC#N)CC1 388627951 JRCSFGFWGIHYDX-UHFFFAOYSA-N 183.163 0.006 30 20 ACED CN(CC#N)C[C@@](C)(O)C(F)(F)F 393550812 RIPRPAUKXSBCMC-ZCFIWIBFSA-N 196.172 0.755 30 20 ACED C[C@H](CCO)CC/N=C1/NC[C@H](C)N1 397755815 RYGXKOQUTUCFOA-IUCAKERBSA-N 199.298 0.332 30 20 ACED C=CCCC(=O)NCC1CNC1 397765917 YWTIQVPXARBNNA-UHFFFAOYSA-N 168.240 0.288 30 20 ACED C=C[C@H](C)NC(=O)[C@H](N)C1CCC1 398996808 AKIPIPHKMVCFHR-IONNQARKSA-N 182.267 0.805 30 20 ACED C#CC(=O)N[C@H]1CCS[C@@H]1C 575530429 INYLKQPUMAMWOQ-RQJHMYQMSA-N 169.249 0.630 30 20 ACED C[C@@H](CCCO)NC(=O)CCCC#N 589708255 IJAZBRRLTPMGTR-VIFPVBQESA-N 198.266 0.957 30 20 ACED CC[C@@H](CC#N)NC(=O)C(C)(C)CO 594339982 FWNZTWJZPFDFKO-QMMMGPOBSA-N 198.266 0.813 30 20 ACED C[C@@H](O)[C@H]1CCCN1CCC#N 595773980 YRFATMKLGRUXCT-RKDXNWHRSA-N 168.240 0.745 30 20 ACED C=C[C@H](CO)N[C@@H](CC)C(=O)OC 595864332 YGQCOFMOJUWZAU-SFYZADRCSA-N 187.239 0.075 30 20 ACED C#CC(=O)N1CCN(C)C(C)(C)C1 606254937 SDIGQJZKARHRNE-UHFFFAOYSA-N 180.251 0.172 30 20 ACED COCCn1c(C)nc(C#N)c1C#N 614676541 ZWGCPPCYDFZEEW-UHFFFAOYSA-N 190.206 0.581 30 20 ACED C[C@@H](CCC#N)N(C)CC(=O)N(C)C 616015704 LRVITKMFJVNHAA-VIFPVBQESA-N 197.282 0.699 30 20 ACED CC#CCNC(=O)[C@H](CC)[C@@H](C)O 642932534 GAZLZUUQGKQJDK-RKDXNWHRSA-N 183.251 0.533 30 20 ACED C=CCCNC(=O)[C@@H]1NCC1(C)C 659336699 BSZHPOUCKBLRJF-QMMMGPOBSA-N 182.267 0.677 30 20 ACED COCC#CCN(C)Cc1ncc[nH]1 660143559 WZKBYYKAVSNAKU-UHFFFAOYSA-N 193.250 0.491 30 20 ACED C=CCN(CCCO)[C@@H](C)COC 661244200 RHHMAUAWQHGHBO-JTQLQIEISA-N 187.283 0.892 30 20 ACED C=CCN1CCc2nnc(O)cc2C1 681469368 KYFCKRIIYWLXEL-UHFFFAOYSA-N 191.234 0.726 30 20 ACED C#CC[C@@H](CO)NCC[C@@H]1CCOC1 717752922 ASBHEMOCIJJUGM-MNOVXSKESA-N 197.278 0.387 30 20 ACED CO[C@H](C)CC(=O)NC1(C#N)CCC1 749585581 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CC[C@H](OC)C(=O)N1CC(C)(C#N)C1 334640004 YVLVRCDLMVHVRC-QMMMGPOBSA-N 196.250 0.783 30 20 ACED C=CCN(C)C(=O)[C@H]1COCCO1 336245023 MWWKZHAJYTZYQE-MRVPVSSYSA-N 185.223 0.046 30 20 ACED C#C[C@](C)(CC)NCCC(=O)NC 384164457 KXZLSCDKBOTRLC-SNVBAGLBSA-N 182.267 0.514 30 20 ACED CNC(=S)NN=Cc1cc[nH]c1 388438777 RGOCQWMGMXOHNI-UHFFFAOYSA-N 182.252 0.443 30 20 ACED C[C@@H](O)C[C@@H](C)CNCCC#N 398697136 UWZGQKIYFCVSQD-RKDXNWHRSA-N 170.256 0.897 30 20 ACED C#C[C@H](C)NC(=O)CC1(COC)CC1 401417370 DAVUWYBROUPIDZ-VIFPVBQESA-N 195.262 0.941 30 20 ACED COCC#Cc1ccc(C#N)cn1 585145002 BRLNQRKJYYVEKF-UHFFFAOYSA-N 172.187 0.951 30 20 ACED C=CCOCC(=O)N(CC)[C@@H](C)C#N 598359871 NKKSUYXYKZSECF-VIFPVBQESA-N 196.250 0.950 30 20 ACED N#CC1(NC(=O)c2cnccn2)CC1 606259936 KIHPODDTRRANNM-UHFFFAOYSA-N 188.190 0.263 30 20 ACED C=C[C@@H](O)C(=O)N1CC(C)(COC)C1 614206996 FUALGFBTSDEETI-MRVPVSSYSA-N 199.250 0.028 30 20 ACED C=C[C@](C)(O)C(=O)N1CCCCN1 614739407 LVDJRPIXPJTLDW-VIFPVBQESA-N 184.239 0.050 30 20 ACED 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C=CCCNC(=O)N(C)[C@H](C)CN 659562956 NLZXIHDKHZQNNA-MRVPVSSYSA-N 185.271 0.551 30 20 ACED C=CCCN1[C@H]2CC[C@H]1CNC2 662334294 PKPUATCHDGPYFF-UWVGGRQHSA-N 166.268 0.999 30 20 ACED C=CCNC(=O)N[C@@H](CO)CC1CC1 677234226 RVNZQEJXWKJDMB-SECBINFHSA-N 198.266 0.633 30 20 ACED CC#CCCN1CC[C@@](C)(C(N)=O)C1 684628880 RHTUVTZEWGFQEX-LLVKDONJSA-N 194.278 0.597 30 20 ACED C#CCNCC(=O)NC[C@@H]1C=CCC1 711678604 HRFZFWGLGSOOKD-SNVBAGLBSA-N 192.262 0.292 30 20 ACED N#CCNC(=O)/C=C\C1CCOCC1 732658587 TZANCCJOGAOCRV-UPHRSURJSA-N 194.234 0.609 30 20 ACED C=CCOC(=O)c1ccc(C(N)=O)o1 747173811 CCVRHPYCKGNTEG-UHFFFAOYSA-N 195.174 0.721 30 20 ACED C#CCN(C)C(=O)NC[C@H](C)COC 812052044 XLOAIEDXVDKXCX-VIFPVBQESA-N 198.266 0.544 30 20 ACED C#CCN(C)C(=O)NCCC(C)(C)O 812200987 MYQJORPLHHVKJN-UHFFFAOYSA-N 198.266 0.422 30 20 ACED C#CCNC(=O)[C@H](C)N1CC[C@H](F)C1 830462195 PEIQGUGFETTZEH-IUCAKERBSA-N 198.241 0.168 30 20 ACED C=C(C)[C@H](CO)N1CC[C@@H](C(=O)O)C1 833368626 NGSOKYNFDMIDLE-BDAKNGLRSA-N 199.250 0.330 30 20 ACED C=C[C@@H](C)ONC(=O)C(C)(C)CO 848244716 BVEBITFSQPUWKN-SSDOTTSWSA-N 187.239 0.627 30 20 ACED COC[C@@H](C)NC(=N)NC[C@@H](C)C#N 849003852 JSRHKYQAOQLKBH-JGVFFNPUSA-N 198.270 0.295 30 20 ACED C#CC(=O)N[C@@H]1C[C@H]1C(F)(F)F 871206710 MWEWORUXRNHTBZ-RFZPGFLSSA-N 177.125 0.687 30 20 ACED C#CCNN=C1CC[C@@H]2C[C@H]12 872380188 WMCZHHNVCGTPLC-SFYZADRCSA-N 148.209 0.995 30 20 ACED CC(C)(C)C(=O)NCC(=O)OCC#N 917246917 MLRWSUGFWNHBJC-UHFFFAOYSA-N 198.222 0.215 30 20 ACED COCC(C)(C)NC[C@H](O)CC#N 929499753 MWAHSNJCIJATBY-MRVPVSSYSA-N 186.255 0.276 30 20 ACED C=C[C@H](C)NC(=O)[C@@H]1NC[C@@H]2C[C@@H]21 1119067665 LVDHLGWQXIKTEN-XSPKLOCKSA-N 180.251 0.285 30 20 ACED C#CCNCCNC(=O)/C(C)=C\C 1125437216 DEPRYHRMWXFZSE-UITAMQMPSA-N 180.251 0.292 30 20 ACED C=CCNCCNC(=O)C=C1CCC1 1125561690 MEVLBHZEAJSKQK-UHFFFAOYSA-N 194.278 0.989 30 20 ACED C#C[C@@H](CC)NC[C@@H](O)CCOCC 1262570658 BCNKJDLCICWWEK-QWRGUYRKSA-N 199.294 0.775 30 20 ACED C=CCN1C[C@@H](C)O[C@@H](C(=O)O)C1 1326580720 GUFCGRRVMPDTMQ-HTQZYQBOSA-N 185.223 0.346 30 20 ACED COCC#CC(=O)N(C)C1CCC1 1328112003 YUECUHGGNDHMSI-UHFFFAOYSA-N 181.235 0.647 30 20 ACED C#C[C@@H]1CNC[C@H]1OCC 2298024236 LLMZWHTWSSFIJY-HTQZYQBOSA-N 139.198 0.244 30 20 ACED N#CCCN1CCC[C@@H](CCO)C1 51916372 KPPXMRHOBCMIEH-JTQLQIEISA-N 182.267 0.994 30 20 ACED C=CCCC(=O)NC[C@H](O)C1CC1 70883568 FIJAIKRGRVKKTP-VIFPVBQESA-N 183.251 0.840 30 20 ACED N#CCC(=O)NCCc1cscn1 82275143 ILWCHBYPIPBTRI-UHFFFAOYSA-N 195.247 0.715 30 20 ACED C#CC(=O)N=c1[nH]c2ccccc2[nH]1 82457522 NUMMQKABRSTEAF-UHFFFAOYSA-N 185.186 0.557 30 20 ACED CNC(=O)CCCN(C)[C@H](C)CC#N 82672618 VTDGAGUDBMGWSL-SECBINFHSA-N 197.282 0.747 30 20 ACED C#CCN(C)C(=O)CCNC(C)(C)C 129972144 CDHAYWDWXXUIAB-UHFFFAOYSA-N 196.294 0.856 30 20 ACED C#CCN(C)C(=O)c1ccc(C#N)cn1 130171117 KHBQTJWWUVEIQW-UHFFFAOYSA-N 199.213 0.658 30 20 ACED C#CCN(C)c1ccc(C=O)cn1 130475920 IDMOKFDKTTYHHU-UHFFFAOYSA-N 174.203 0.964 30 20 ACED N#CC1CN(C(=O)c2cscn2)C1 141201525 XNRXPOWZWCZSMB-UHFFFAOYSA-N 193.231 0.739 30 20 ACED C#C[C@@H](C)NC(=O)c1cccnc1 165230200 QDTFQTFFUFWPOU-MRVPVSSYSA-N 174.203 0.833 30 20 ACED C#C[C@H](C)NC(=O)[C@@H]1CCO[C@@H]1C 165240745 VGAQESDBXYIYLM-DJLDLDEBSA-N 181.235 0.549 30 20 ACED CCO[C@@H]1C[C@@H](NCCC#N)[C@@H]1OC 169171845 CZOIEUDTPXIERA-BBBLOLIVSA-N 198.266 0.682 30 20 ACED O=C[C@H]1CC12COC2 211594937 LMVGUZUZPDOQTI-RXMQYKEDSA-N 112.128 0.222 30 20 ACED C=C[C@H](C)NC(=O)c1cc[nH]c(=O)c1 230201797 UIAXEIXHVZANLG-ZETCQYMHSA-N 192.218 0.679 30 20 ACED N#CCCS(=O)(=O)CCF 259951264 DMQKUVRUBCCDMM-UHFFFAOYSA-N 165.189 0.284 30 20 ACED CN1CCN(CCC#N)CCC1=O 261086295 UCFBJDYUKDHDFZ-UHFFFAOYSA-N 181.239 0.064 30 20 ACED CN(C)/C(N)=N/CC1(C)CC1 306373268 SFBPVLWOGBOCNY-UHFFFAOYSA-N 155.245 0.663 30 20 ACED C=CCN1CCN(C)[C@@H](C)C1 306419014 WJJOMVDXZWJNCW-VIFPVBQESA-N 154.257 0.808 30 20 ACED CC#CCn1cncc(C#N)c1=O 306969352 SAJQLOYDKMBSCM-UHFFFAOYSA-N 173.175 0.138 30 20 ACED C#CCNC(=S)N[C@@H](C)C1CC1 307228854 YSXOPDVPZOHCEI-ZETCQYMHSA-N 182.292 0.882 30 20 ACED C#CC(=O)[C@H]1CNC[C@H](C)C1 307470237 ODHSLATZPSUHJD-HTQZYQBOSA-N 151.209 0.434 30 20 ACED C#C[C@@H](CC)NC(=O)C1(O)CCC1 307746846 WTHDYUYEJXFNAW-QMMMGPOBSA-N 181.235 0.429 30 20 ACED C=C[C@H](CO)NC(=O)[C@@H](C)CC 307941803 CTKJWOYDPGGWMQ-JGVFFNPUSA-N 171.240 0.696 30 20 ACED N#CCCC[S@](=O)[C@H]1CCOC1 308094400 WXBWAJWMSXSMGH-UFBFGSQYSA-N 187.264 0.828 30 20 ACED C[C@H](C#N)CN(C)CCn1cncn1 308405926 CNDDZLVDJHLVSL-SECBINFHSA-N 193.254 0.370 30 20 ACED C=C(C)CN1CCS(=O)(=O)CC1 335890436 MINWOIDSVBGXOA-UHFFFAOYSA-N 189.280 0.293 30 20 ACED CCCN1CC(=O)N(CCC#N)C1=O 349033221 MFGVFTGHJHYAER-UHFFFAOYSA-N 195.222 0.574 30 20 ACED CC[C@H]1CCC1=NNCC(=O)O 382107729 JDILXNGKONASOU-LURJTMIESA-N 170.212 0.837 30 20 ACED CCON=Cc1ccn(C)n1 382335091 XVDLQHCYAAZBBK-UHFFFAOYSA-N 153.185 0.791 30 20 ACED C[C@@H](C#N)C(=O)NCC[C@@H](C)CCO 397741646 KWLSHANWEQVSEA-BDAKNGLRSA-N 198.266 0.671 30 20 ACED C[C@@H](NCCC#N)[C@H]1CN(C)CCO1 591756665 NSNSTWFDKAGRJT-NXEZZACHSA-N 197.282 0.209 30 20 ACED CC[C@H](C#N)C(=O)NCCC(C)(C)O 593615418 BODJLONLMHIZFV-MRVPVSSYSA-N 198.266 0.813 30 20 ACED CC[C@H](C#N)C(=O)N1CCO[C@H]2C[C@@H]21 593721819 SLPGKCVBPYDLPO-VGMNWLOBSA-N 194.234 0.536 30 20 ACED CC#CCN1CCC(NC(C)=O)CC1 607728131 GDPUHCVDHDKCCQ-UHFFFAOYSA-N 194.278 0.610 30 20 ACED C=CCOCC(=O)N[C@H](C#N)CCC 609170312 NPXSPTADGUJTEO-VIFPVBQESA-N 196.250 0.997 30 20 ACED C=C[C@H](O)C(=O)N1CC[C@H](C)[C@H]1C 611935864 JDAZIYJAOFAUMU-YIZRAAEISA-N 183.251 0.790 30 20 ACED CN(CCC#N)C1(CO)CCOCC1 616830270 NKRDTSPNQOJMLS-UHFFFAOYSA-N 198.266 0.373 30 20 ACED CCOCC1(C(=O)N[C@@H](C)C#N)CC1 619657099 RJPCVROHFOZVQT-QMMMGPOBSA-N 196.250 0.831 30 20 ACED C[C@H](CC#N)NCCOC(=O)N(C)C 689063967 ICENBIUFUSTYRO-MRVPVSSYSA-N 199.254 0.576 30 20 ACED C#C[C@H](CC)NC(=O)[C@H]1C[C@@H]1OCC 709654767 OZNVYXNXDXCDLU-UTLUCORTSA-N 195.262 0.939 30 20 ACED CN(C)CC#CCNc1ncccn1 717680460 YQXFGUVPCXJJAC-UHFFFAOYSA-N 190.250 0.454 30 20 ACED Cc1cc(C(=O)NO)c2n[nH]cc2c1 782170100 WCXNYPNOPMKMDH-UHFFFAOYSA-N 191.190 0.990 30 20 ACED COC(=O)C[C@@H](C)C(=O)NCCC#N 787621493 QWNGNOYLPGCSKI-SSDOTTSWSA-N 198.222 0.215 30 20 ACED C#CCN(C)[C@H](C)C(=O)N(C)C(C)C 792298099 IJQFJEGSTZKNHO-SNVBAGLBSA-N 196.294 0.807 30 20 ACED CC#CC(=O)NCCN1CC=CCC1 801297943 UCTMHNBALOUATO-UHFFFAOYSA-N 192.262 0.388 30 20 ACED C[C@@H](O)CNN=Cc1ccc(F)nc1 814963844 RPSYHPMVUSNRBE-SSDOTTSWSA-N 197.213 0.525 30 20 ACED C#CCN(C)C(=O)c1cc(F)c[nH]1 816447959 POGCXJCVOPJWDA-UHFFFAOYSA-N 180.182 0.859 30 20 ACED C[C@H]1CC(=NNCC(=O)O)[C@H](C)O1 834982418 BMPOFGDEJYEDAC-WDSKDSINSA-N 186.211 0.214 30 20 ACED C=C(Cl)CN1CC(=O)N(C)C1 839545493 KKBAPAQZQAESEN-UHFFFAOYSA-N 174.631 0.470 30 20 ACED C=C[C@H](C)NC(=O)c1[nH]c(O)nc1C 847564533 BQOUYGRRYMSRAI-YFKPBYRVSA-N 195.222 0.728 30 20 ACED C#CCNC(=O)CN[C@H](CC)C1CC1 852554447 MZIRECHSSUOBLK-SNVBAGLBSA-N 194.278 0.514 30 20 ACED C#CCOCCSC[C@@H](C)CO 853017616 LCTVRXHKLQZQMW-VIFPVBQESA-N 188.292 0.998 30 20 ACED C#CCOCCNc1cnc(F)cn1 853477328 QXSWWFAQMDSHFN-UHFFFAOYSA-N 195.197 0.677 30 20 ACED 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C#CCn1cc(C(=O)O)ccc1=O 21508283 KYUVUDYEIFHKNC-UHFFFAOYSA-N 177.159 0.180 30 20 ACED CN(CCO)c1cc(C#N)ccn1 37899590 KHLFNAUUOVGTNS-UHFFFAOYSA-N 177.207 0.382 30 20 ACED CCOC(=O)CN(CC#N)C1CC1 49573402 LFPRDXVNHDINBJ-UHFFFAOYSA-N 182.223 0.537 30 20 ACED CCOC(=O)[C@@H](C)N(C)CC#N 49954993 ZFRHMZLLUKBWAV-SSDOTTSWSA-N 170.212 0.393 30 20 ACED C#CCN[C@H](C)Cn1cccn1 50522086 NVJACRBEWVYZAU-SECBINFHSA-N 163.224 0.494 30 20 ACED C#CCCN(CCOC)CCOC 70159603 VRNUEJPOENRPMR-UHFFFAOYSA-N 185.267 0.605 30 20 ACED C=CCNC(=O)c1ccc(O)nn1 70223175 FGVLGMGYIYZRTG-UHFFFAOYSA-N 179.179 0.098 30 20 ACED CC[C@@H](CCO)CNC(=O)[C@H](C)C#N 87370529 HJHKVNVEIYMBAF-BDAKNGLRSA-N 198.266 0.671 30 20 ACED O=CCC(=O)c1cccnc1 101836245 YIYMLNMSVCMHNU-UHFFFAOYSA-N 149.149 0.853 30 20 ACED C#C[C@@H](C)NC(=O)C[C@H](C)COC 165256396 QFWCNXAPNLGLRM-DTWKUNHWSA-N 183.251 0.797 30 20 ACED C#C[C@H](C)NC(=O)[C@H]1C[C@@H]1C 165310721 WCBNTZTZYOAMGS-FXQIFTODSA-N 151.209 0.780 30 20 ACED C[C@H](O)CN1CCC[C@@H](C#N)C1 227578788 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C[C@H](CO)CN[C@@H]1CC[C@@H](C#N)C1 379381958 DKHZRZLGADEPCR-IVZWLZJFSA-N 182.267 0.897 30 20 ACED CC(=NNC[C@@H](C)O)[C@@H]1CCCO1 382348892 GDOAEDNHHJVCGK-APPZFPTMSA-N 186.255 0.512 30 20 ACED C=C[C@H](CO)NCc1cccn1C 388370804 XCWOTFRHTUWAHT-SECBINFHSA-N 180.251 0.662 30 20 ACED C=CCCSc1nnc(C)n1N 388388643 AHQYEEWBHSNCMI-UHFFFAOYSA-N 184.268 0.969 30 20 ACED C#CCN(C)C(=O)CSCC#N 388411517 YDHSVSGYDPWWMB-UHFFFAOYSA-N 182.248 0.335 30 20 ACED C#CCCN(C)CCCC(=O)NC 388601536 RUGLZNJHKAJQMG-UHFFFAOYSA-N 182.267 0.468 30 20 ACED C=CCn1cc(C(C)=O)nn1 401846876 XOACFVKCVKKKMS-UHFFFAOYSA-N 151.169 0.667 30 20 ACED CC[C@@H](C)NC(=O)[C@@H](N)CCCC#N 591590600 XCGJVDNCUFZLOF-BDAKNGLRSA-N 197.282 0.922 30 20 ACED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC1 615765372 VSUFFHUCWMKYHO-BDAKNGLRSA-N 197.234 0.394 30 20 ACED CC#CCCNC(=O)NC1(C)COC1 637057763 CRUNDPJBCZLIBI-UHFFFAOYSA-N 196.250 0.488 30 20 ACED CC#CCCN(C)C[C@H]1COCCO1 661612686 TWWIQAAQSXKSCL-NSHDSACASA-N 197.278 0.747 30 20 ACED C=C[C@](C)(O)C(=O)NC[C@H]1C[C@H]1C 666404326 DATYOEBZHUQCIO-MRTMQBJTSA-N 183.251 0.696 30 20 ACED C#CCCN(C)CCn1cccn1 687713683 VUWZMDCGFLPICN-UHFFFAOYSA-N 177.251 0.838 30 20 ACED CC/N=C(/NCC)N[C@@H]1C[C@]1(C)OC 694455357 ZCFKPBKLGRYJCD-SCZZXKLOSA-N 199.298 0.739 30 20 ACED C#CCCN(CCOC)C(=O)N(C)C 697637422 ZTHDWPMGWCWQIB-UHFFFAOYSA-N 198.266 0.640 30 20 ACED C#Cc1ccc(C(=O)OCCO)nc1 729010635 XDQOPXZMUNSRGU-UHFFFAOYSA-N 191.186 0.212 30 20 ACED CC[C@H](C#N)NC(=O)c1ncccn1 735879507 AWHRRZHJJLHJKD-SSDOTTSWSA-N 190.206 0.509 30 20 ACED COCC#CCOC(=O)C1(C)COC1 782395831 ZBAMKNXBPJCDCW-UHFFFAOYSA-N 198.218 0.216 30 20 ACED COC(=O)[C@](C)(C#N)CC(=O)O 820645525 KAKKQUDTGILVQZ-ZETCQYMHSA-N 171.152 0.164 30 20 ACED C#CCNN=C1CN(C)C[C@@H]1C 835007970 LWNYNDCWYXOBKF-QMMMGPOBSA-N 165.240 0.147 30 20 ACED CCON=Cc1cnon1 841616606 QBVYLOMWJOLTPD-UHFFFAOYSA-N 141.130 0.440 30 20 ACED C=C[C@H](C)ONC(=O)C(C)(C)O 846549984 PVMNXMSIQHWWSX-LURJTMIESA-N 173.212 0.380 30 20 ACED C#CCNC(=O)[C@H](OCC)C1CC1 858156591 LAFXMTMHHGDNFA-SECBINFHSA-N 181.235 0.551 30 20 ACED C=CCCNC(=O)NC[C@H]1C[C@@H](N)C1 892239481 QGEPUUVCQLUUHA-DTORHVGOSA-N 197.282 0.599 30 20 ACED C=CCOC(=O)c1cn(C)c(=O)n1C 892561259 YHCCGOCWDMVGSY-UHFFFAOYSA-N 196.206 0.067 30 20 ACED C=CCC[C@H](O)CN1CCNC[C@H]1C 923279752 CQBISQKNYVHZJZ-MNOVXSKESA-N 198.310 0.607 30 20 ACED C=C(C)CN1CC(NC(=O)C2CC2)C1 1030041680 WEKRTYBLSIIAHQ-UHFFFAOYSA-N 194.278 0.773 30 20 ACED C=CCN1CC[C@@H]1CNC(=O)C1CC1 1037980979 OKJFNURFJNITDP-SNVBAGLBSA-N 194.278 0.773 30 20 ACED CNC(=O)[C@H](C#N)C(=O)CCCC#N 1122505695 GKGJOTXYHPWHDS-SSDOTTSWSA-N 193.206 0.135 30 20 ACED N#CCC(=O)NC[C@H](O)c1ccco1 1320379897 FKUYAIBILMJXHE-ZETCQYMHSA-N 194.190 0.343 30 20 ACED CC#CC(=O)N[C@@H](C)/C=C/C(=O)O 1602946455 XLRUYVYEWNYGOR-XPPMVYLVSA-N 181.191 0.155 30 20 ACED CCC(=O)N1CCO[C@H](C#N)C1 82473524 DLPODASHAXYWPX-SSDOTTSWSA-N 168.196 0.147 30 20 ACED C#CCN(CC(=C)C)CC(=O)O 86140711 WJOPMUGSEWMERJ-UHFFFAOYSA-N 167.208 0.582 30 20 ACED C#CCNC(=O)C[C@@H](C)COC 87260439 MOZKTBGRGMJFHK-MRVPVSSYSA-N 169.224 0.408 30 20 ACED C#C[C@H](C)NC(=O)CCn1cccn1 165301388 FAYKIPKMSRIOKN-VIFPVBQESA-N 191.234 0.411 30 20 ACED CC(C)(C)OC(=O)CCOCC=O 218621525 VDUFBAROEHLIMD-UHFFFAOYSA-N 188.223 0.934 30 20 ACED CONC(=O)C1(C#N)CC(C)C1 229602573 UPFGAMXLLZKNQM-UHFFFAOYSA-N 168.196 0.604 30 20 ACED C#CCCCCNCc1ncnn1C 229674840 XQKBYUZPZQNSLK-UHFFFAOYSA-N 192.266 0.708 30 20 ACED CO[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 234820106 YAQXXODRNVHKFL-HTQZYQBOSA-N 182.223 0.393 30 20 ACED CN1CCC[C@@H]1C(=O)NCCC#N 259840951 FKCPVWUAQWTXQR-MRVPVSSYSA-N 181.239 0.110 30 20 ACED CC(C)C(=O)N1CC[C@@H](NCC#N)C1 260156246 PMZXSJUCBYYOFQ-SECBINFHSA-N 195.266 0.356 30 20 ACED CC[C@@H](F)CN1CCO[C@H](C#N)C1 306233088 MPPAAAYNUDPBQW-RKDXNWHRSA-N 186.230 0.959 30 20 ACED C#CCN1CCC(F)(F)C1 306487354 ZKMTWLUIEJLVMN-UHFFFAOYSA-N 145.152 0.961 30 20 ACED C#CC(=O)N1CCC[C@H](OC)C1 307549108 NCJPHQRKPKDVMV-QMMMGPOBSA-N 167.208 0.257 30 20 ACED CC#CCCN1C[C@H](C)[C@@H](O)C1 307741408 IVSKFQLQBVXYLC-UWVGGRQHSA-N 167.252 0.712 30 20 ACED C#CC(=O)N[C@H](CO)C/C=C/C 307963063 YSEIZSDPYASPIF-WGAJWPLOSA-N 167.208 0.063 30 20 ACED CC[C@H](OC)C(=O)N[C@H](C)CC#N 308218963 KHTDWZGTACIIJQ-SFYZADRCSA-N 184.239 0.830 30 20 ACED C=CCCOCC(=O)N(C)CCO 308265261 OZBYTISODAFVDH-UHFFFAOYSA-N 187.239 0.030 30 20 ACED C=C[C@H](COC)NC(=O)CCOC 379385271 SCYVGTNIDZEYHM-MRVPVSSYSA-N 187.239 0.340 30 20 ACED C[C@H](OC(=O)CCCC#N)C(N)=O 379407833 ZREKJXWBMOOKFA-LURJTMIESA-N 184.195 0.097 30 20 ACED C=C(C)CONC(=O)COCC 400899828 LVSHSVGCSAORQA-UHFFFAOYSA-N 173.212 0.647 30 20 ACED C#CC(=O)N[C@@H]1CCS[C@@H]1C 575530421 INYLKQPUMAMWOQ-RNFRBKRXSA-N 169.249 0.630 30 20 ACED CSC[C@@H](O)CNC[C@H](C)C#N 591735051 YEGMWNGFFMTOPQ-SFYZADRCSA-N 188.296 0.460 30 20 ACED CC(C)(CO)Nc1cncc(C#N)n1 591890524 AXBMNAHFNUGKLM-UHFFFAOYSA-N 192.222 0.531 30 20 ACED C[C@@H](C#N)CNC(=O)[C@H](O)C1CC1 597199924 DAWAEXSWIWPCDM-POYBYMJQSA-N 182.223 0.033 30 20 ACED CC[C@H](C(=O)N[C@@H](C)CC#N)N(C)C 610804602 HKQOFBUBHAIYJV-DTWKUNHWSA-N 197.282 0.745 30 20 ACED C=CCCNC(=O)CC(C)(C)O 617618331 LQQWEYKPDDEZLS-UHFFFAOYSA-N 171.240 0.840 30 20 ACED C#C[C@H](NC(=O)CC(=O)O)C(C)(C)C 702254194 ARDFTTWYXIFNPI-ZETCQYMHSA-N 197.234 0.625 30 20 ACED C[C@@H](C#N)C(=O)NO[C@H]1CCCCO1 735856821 JMUVFXYIBYDTLI-YUMQZZPRSA-N 198.222 0.720 30 20 ACED C#CCOCCC(=O)O[C@H]1CCOC1 756548192 NMRFIRZZMURWNU-VIFPVBQESA-N 198.218 0.358 30 20 ACED CCc1ocnc1C(=O)NCCC#N 787630210 ZRCMSYXDXVUOEQ-UHFFFAOYSA-N 193.206 0.880 30 20 ACED CC#CC(=O)N[C@@H]1CCC[C@@H]1CCO 801204974 WWLGXTQUHMXIOP-NXEZZACHSA-N 195.262 0.677 30 20 ACED C=C(CO)C(=O)NCc1occc1C 816982713 PTMTYQMAMLETKH-UHFFFAOYSA-N 195.218 0.753 30 20 ACED CCCCC[C@H](O)C(=O)N[C@@H](C)C#N 822813232 DUJJJKIBQWRHJH-IUCAKERBSA-N 198.266 0.956 30 20 ACED C#CCO[C@@H](C)C(=O)OCC#CC 835270732 WODDQQLUQHVCNN-VIFPVBQESA-N 180.203 0.591 30 20 ACED C=CCONC(=O)[C@](C)(O)CCC 837047320 GJTQKHZFKMHHMW-SECBINFHSA-N 187.239 0.771 30 20 ACED C#C[C@@H](C)NC(=O)NCC(C)(C)N 841950067 JWMYWXSFVDRNFO-SSDOTTSWSA-N 183.255 0.045 30 20 ACED C[C@H](CO)N(C)N=Cc1ccco1 842544972 MUURUSHDRKIZKU-MRVPVSSYSA-N 182.223 0.926 30 20 ACED C#C[C@@H](C)NC(=O)[C@@H](OCC)C1CC1 860945191 DXCHCSBEKACTCT-SCZZXKLOSA-N 195.262 0.939 30 20 ACED C#C[C@@H](C)OC(=O)/C=C/COC 870212078 KXSQZHFIEWHYHH-HQZHTGGTSA-N 168.192 0.754 30 20 ACED C#CCONC(=O)c1cnc(C)n1C 912450280 LUHLHRGTIOSGKW-UHFFFAOYSA-N 193.206 0.023 30 20 ACED C=C(C)CNC(=O)N[C@@H]1COC[C@@H]1C 926012177 NHOJCAVAPFYKGW-DTWKUNHWSA-N 198.266 0.897 30 20 ACED CC1(C#N)CN(Cc2nncs2)C1 930301267 UXYSPRDEBWHOFH-UHFFFAOYSA-N 194.263 0.884 30 20 ACED C#CCCN1CC(NC(=O)C(C)C)C1 1030113809 WOZXCNDWRBXFFO-UHFFFAOYSA-N 194.278 0.466 30 20 ACED C#Cc1ccc(N2CC[C@H](O)C2)nc1 1120812362 SLQHJGYJQLWNSL-JTQLQIEISA-N 188.230 0.634 30 20 ACED C#CCCN[C@@H](C(=O)OCC)C1CC1 1327223224 KIAUXCDVEHFUHO-SNVBAGLBSA-N 195.262 0.941 30 20 ACED C[C@@H](NC(=O)CC#N)c1cnccn1 1330261607 NNELFQXPEDBFSW-SSDOTTSWSA-N 190.206 0.567 30 20 ACED CN(C)CC#CCNC(=O)[C@H]1C[C@H]1F 1528641089 BPKPJARWOJWUDY-DTWKUNHWSA-N 198.241 0.026 30 20 ACED N/C(COCC(F)(F)F)=N\O 19518003 CZKUKYOHOCZLQK-UHFFFAOYSA-N 172.106 0.312 30 20 ACED C[C@H](O)CNc1cc(C#N)ccn1 35606740 OHVDPXKCXOWAGI-ZETCQYMHSA-N 177.207 0.746 30 20 ACED C#CCCN(C)C[C@@H](C)O 51837841 YWIVUDKVTVUEGM-MRVPVSSYSA-N 141.214 0.322 30 20 ACED C[C@@H](CC#N)NC(=O)C1CCOCC1 60941442 FFOSGRSYMJEJDC-QMMMGPOBSA-N 196.250 0.831 30 20 ACED Cc1nccc(-n2cnc(C#N)n2)n1 61843158 DJLPZBXVPVNGBY-UHFFFAOYSA-N 186.178 0.237 30 20 ACED C=CCCCN1CCOC[C@H]1C(=O)O 83877298 UFQRYFPLIQDRTJ-VIFPVBQESA-N 199.250 0.738 30 20 ACED C=CC(=O)[C@H]1C[C@H](OC)CN1 135408400 ZMYCQGHIYJHILO-NKWVEPMBSA-N 155.197 0.118 30 20 ACED CCc1cc(C#N)ncn1 140905622 UQNNDCHIYXRFPM-UHFFFAOYSA-N 133.154 0.911 30 20 ACED NCC#Cc1ccccc1C=O 142000573 ADOVQLFZCVLJHH-UHFFFAOYSA-N 159.188 0.809 30 20 ACED CCOC(=O)c1nccc(C#N)c1N 149765070 BBWGALGTLJAQJF-UHFFFAOYSA-N 191.190 0.712 30 20 ACED C[C@@H](CC#N)N(C)C(=O)[C@@H](C)C(=O)O 165536721 YVBUNHJEFKCJHZ-NKWVEPMBSA-N 198.222 0.468 30 20 ACED C#C[C@@H](C)NCc1cc[nH]n1 166405097 IQEBANSGRVTJQF-SSDOTTSWSA-N 149.197 0.521 30 20 ACED C#C[C@H](C)NC[C@@H](O)CN1CCCC1 166685667 QFLSLDSGCUFPIX-WDEREUQCSA-N 196.294 0.054 30 20 ACED C=C(C)CN[C@H](C)[C@H](C)O 167555307 DBOFPEWHJGPBBU-SFYZADRCSA-N 143.230 0.921 30 20 ACED N#Cc1cncnc1N[C@@H]1CCOC1 306224104 SVJZJAKDSOTXKX-MRVPVSSYSA-N 190.206 0.549 30 20 ACED C#CC(=O)N[C@@]1(C)CCO[C@H]1C 306260967 KTXHUAIAOJAOPV-CBAPKCEASA-N 167.208 0.303 30 20 ACED C[C@@H](CF)NC(=O)CC#N 306387283 TYSTYEUONUVWFR-YFKPBYRVSA-N 144.149 0.374 30 20 ACED CC(C)(O)CNc1cc(C#N)cnn1 306665978 YVMXFKXVENPUSI-UHFFFAOYSA-N 192.222 0.531 30 20 ACED C#CCN1C[C@H](C)O[C@@H](COC)C1 307372796 VMFVSNPCRXFKKL-VHSXEESVSA-N 183.251 0.355 30 20 ACED CC#CCN(C)Cc1cnn(C)n1 307600822 TVHXRENRHGRJNP-UHFFFAOYSA-N 178.239 0.270 30 20 ACED Cc1cc(C)nc(C(=O)NO)c1 307701756 NWLXHZWINFDZAI-UHFFFAOYSA-N 166.180 0.817 30 20 ACED C=C(C)CN[C@H]1C(=O)NCC[C@H]1C 307707656 HTIFEUHKFJXSMI-RKDXNWHRSA-N 182.267 0.677 30 20 ACED CC(C)N/C(N)=N/CCC#N 307744268 OFJJPUJQRMZDGQ-UHFFFAOYSA-N 154.217 0.213 30 20 ACED NC(CC1CC1)=NOCCO 307928261 SYKGZHVMGLTQKM-UHFFFAOYSA-N 158.201 0.068 30 20 ACED C[C@H](C#N)CNC(=O)NCCF 308039941 MWOCHEFAVAIDCE-ZCFIWIBFSA-N 173.191 0.415 30 20 ACED C#CCN(CC(=O)OC)C1CC1 308169823 WFMNFJMBLBCKTM-UHFFFAOYSA-N 167.208 0.257 30 20 ACED COC(=O)C1(NCC#N)CCCCC1 308622212 ULUCZSNZZJMJRY-UHFFFAOYSA-N 196.250 0.975 30 20 ACED CN(CCC#N)C[C@@H]1CCC(=O)N1 379362349 DMFYYDPUVCUZGG-QMMMGPOBSA-N 181.239 0.110 30 20 ACED CC(C)[C@@H](O)C(=O)NC[C@H](C)C#N 379405478 UDDUSMFGJCZZKV-HTQZYQBOSA-N 184.239 0.279 30 20 ACED Cc1ccoc1C=NN[C@@H](C)CO 379405994 VGZKPNKFRLSVKO-QMMMGPOBSA-N 182.223 0.892 30 20 ACED C[C@H]1C[C@@H]1C=NN1CCN(C)CC1 379412691 KRTXVYNBZSUMKC-VHSXEESVSA-N 181.283 0.876 30 20 ACED C=C(C)CCN(C)[C@@H]1COC[C@H]1O 382155658 RDWKMJHRNBFKSH-NXEZZACHSA-N 185.267 0.644 30 20 ACED C/N=C(/NC)NC[C@H](C)COC 386358568 ZBJJMZLSBBYCJB-ZETCQYMHSA-N 173.260 0.064 30 20 ACED C#CCCN(CC)[C@@H](C)CO 393943924 MVUOROGDJYZNLA-VIFPVBQESA-N 155.241 0.712 30 20 ACED CNC(=O)CCN(C)CC(C)(C)C#N 405082828 MAGBMRFAPIHQBP-UHFFFAOYSA-N 197.282 0.604 30 20 ACED CC#CCN(C)C(=O)NC[C@H](C)C#N 590936267 ATQKETFJJRAWGC-SECBINFHSA-N 193.250 0.811 30 20 ACED C[C@@H](O)CCCN1CC(C)(C#N)C1 593980809 YNFIZGJDZPKUSS-SECBINFHSA-N 182.267 0.993 30 20 ACED CC[C@](C)(C#N)C(=O)NCC#CCO 594354678 CDWANLCBIZEIPH-SNVBAGLBSA-N 194.234 0.038 30 20 ACED C=CCN(CCC#N)C(=O)[C@@H](O)C=C 597683869 KFUNRAGMBCTZCR-VIFPVBQESA-N 194.234 0.462 30 20 ACED CNC1(CNC(=O)[C@@H](C)C#N)CCC1 600823571 GSDYIDMXJSYLSH-QMMMGPOBSA-N 195.266 0.404 30 20 ACED CC#CCn1cc(C#N)nn1 603335463 LDKDZGFDOYLZKO-UHFFFAOYSA-N 146.153 0.173 30 20 ACED N#CCNC(=O)C#Cc1ccccc1 606259196 OOVBMHCXNCBGJT-UHFFFAOYSA-N 184.198 0.678 30 20 ACED C[C@@H](O)CCCN1CCOC[C@@H]1C#N 616111086 HDVLQDIXYYDNBO-ZJUUUORDSA-N 198.266 0.372 30 20 ACED CC#CCCN(C)CCNC(C)=O 646047312 DSOUVXDWBRMCKC-UHFFFAOYSA-N 182.267 0.468 30 20 ACED C=C[C@H](CO)N[C@@H]1CO[C@@H](C)C1 657793169 GDYKBMFIKUNTAA-YIZRAAEISA-N 171.240 0.300 30 20 ACED CC#CCNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C 669688873 UASLSGRRIUYBEA-IVZWLZJFSA-N 195.262 0.939 30 20 ACED C=CCCN(C)CCN1CCNC1=O 676548997 NBDCTEGWCQMCAG-UHFFFAOYSA-N 197.282 0.520 30 20 ACED C=CCN(C)C(=O)Cc1cnn(C)c1 681674882 VVZBRKKNWCKEIR-UHFFFAOYSA-N 193.250 0.607 30 20 ACED C=C1CN(c2cncc(C(=O)O)n2)C1 689069618 TZBPGXNVIUHWDP-UHFFFAOYSA-N 191.190 0.551 30 20 ACED Cc1noc(C)c1CC(=O)NCC#N 701263337 DMBCXZZQVKBFBL-UHFFFAOYSA-N 193.206 0.474 30 20 ACED C#CC[C@H](CO)Nc1ncc(C)cn1 717777116 QGPIMLXDUSCPMR-SECBINFHSA-N 191.234 0.581 30 20 ACED CN(CC#N)Cc1ccc(C(=O)O)o1 724871388 HAQHVLIIQZWHMI-UHFFFAOYSA-N 194.190 0.933 30 20 ACED C#Cc1ccc(C(=O)N[C@@H](C)C#C)cn1 772961589 BJLZHSNHJIHFQK-VIFPVBQESA-N 198.225 0.814 30 20 ACED C#CCN(C(=O)[C@@H](CC)CO)C1CC1 779842341 YCOOVORCQRRLHE-VIFPVBQESA-N 195.262 0.629 30 20 ACED COC[C@H](C#N)OC(=O)c1ccco1 785009836 UXZHCPJFPBZIFZ-ZETCQYMHSA-N 195.174 0.975 30 20 ACED C[C@H]1CC(=NC(=O)CCCC#N)NO1 812540967 YXYVEGCFULILPM-ZETCQYMHSA-N 195.222 0.919 30 20 ACED C[C@@H]1CC(=NNCCC(=O)O)CN1C 820221760 UJLMJODIYPDHBL-SSDOTTSWSA-N 199.254 0.131 30 20 ACED C#C[C@@H](CC)NC(=O)CN1CCCC1 822407004 LDPMZYBYZSOZKO-JTQLQIEISA-N 194.278 0.610 30 20 ACED C#C[C@](C)(CC)NC(=O)[C@H]1C[C@@H](O)C1 823254916 HZGPSBQZTLFWQT-WCABBAIRSA-N 195.262 0.675 30 20 ACED C#CCCCNC(=O)[C@H]1CC(C)=NO1 828994875 KHVHHGFYZOTGAD-SECBINFHSA-N 194.234 0.681 30 20 ACED C#CC1CCN(CC(OC)OC)CC1 830345921 ZBJAIECLJUQKBG-UHFFFAOYSA-N 197.278 0.951 30 20 ACED C=CCON=Cc1cn(C)nc1O 835014530 ILQBLRLFODULEB-UHFFFAOYSA-N 181.195 0.662 30 20 ACED C[C@@H](CN(C)C)NC(=O)C#CC1CC1 837652232 LNCOBXUNANQEJA-VIFPVBQESA-N 194.278 0.466 30 20 ACED C[C@H](O)CN(C)N=C1CCO[C@@H]1C 841652524 RVCYJLTVJCVEHG-JGVFFNPUSA-N 186.255 0.464 30 20 ACED C#C[C@H](NC(=O)NC[C@@H](C)N)C(C)C 841903883 CKAOWHYKZQUIJJ-BDAKNGLRSA-N 197.282 0.291 30 20 ACED CCn1ncc(CN[C@@H](C)CC#N)n1 863377003 NSJSEXOKCIJSLX-QMMMGPOBSA-N 193.254 0.690 30 20 ACED C#CC[C@H](NCCCC)C(=O)OC 906532012 VXOBBNDMFCRBSJ-VIFPVBQESA-N 183.251 0.941 30 20 ACED CC#CCN(C)C(=O)[C@@H]1C[C@@H]1C(=O)O 911702910 JPUVKKFMWSGUEY-SFYZADRCSA-N 195.218 0.189 30 20 ACED C=C[C@H](CO)N[C@H](C)c1cnnn1C 926726529 IMBBNJUNKBOPNP-HTQZYQBOSA-N 196.254 0.013 30 20 ACED C#CCN(Cc1ncnn1C)C(C)C 932390182 IJMWCRBVCJLOSQ-UHFFFAOYSA-N 192.266 0.659 30 20 ACED CCCC(=O)NCCCN(C)CC#N 1231224379 WSQNQCYSBFWFLC-UHFFFAOYSA-N 197.282 0.748 30 20 ACED C#C[C@H](C)N(C)c1nnnn1CCC 1262210248 QUOZZKYWSGPBJU-QMMMGPOBSA-N 193.254 0.541 30 20 ACED N#CCn1cc(C2CCNCC2)nn1 1331216387 WSQQQOHUBNFXLF-UHFFFAOYSA-N 191.238 0.269 30 20 ACED CC[C@@]1(O)CCN(C[C@H](O)CC#N)C1 1335840336 RLIRFLSVBBAKGQ-NXEZZACHSA-N 198.266 0.108 30 20 ACED C=C(CC)C(=O)N[C@H](CO)CCF 1528581783 MJONATOTAFDZTP-QMMMGPOBSA-N 189.230 0.789 30 20 ACED C=C(CC)C(=O)N1CC(C(=O)O)C1 1602772079 JJVDXJRNBIXOQS-UHFFFAOYSA-N 183.207 0.496 30 20 ACED CN(/C(N)=N/O)c1ccccc1 39255611 SXKFILUUFNWYCE-UHFFFAOYSA-N 165.196 0.827 30 20 ACED CCOC(=O)[C@H](C)N[C@H](C)CC#N 49373486 CBZJQTJQALRHLN-SFYZADRCSA-N 184.239 0.830 30 20 ACED Cc1cc(C(=O)N(C)CC#N)no1 82276676 SLWXPKOKGBFYHL-UHFFFAOYSA-N 179.179 0.579 30 20 ACED C#CCNC(=O)CN(C)CCCC 105854301 KVVANXZKWHCLDI-UHFFFAOYSA-N 182.267 0.468 30 20 ACED C#CC(=O)[C@@H]1CNC[C@@H]1C 135343212 HVIRPFLFBIHUBU-NKWVEPMBSA-N 137.182 0.044 30 20 ACED C=C(C)C(=O)C1(CN)CC1 135430653 LWKNRQIHLBVPAM-UHFFFAOYSA-N 139.198 0.871 30 20 ACED C=C(Cl)CNC(C)(C)CC(N)=O 227060545 FSUHWQALFSBVLV-UHFFFAOYSA-N 190.674 0.983 30 20 ACED C#C[C@@H](C)NCc1cn(C)nc1C 229551494 JMSYCIUFXNWLMN-MRVPVSSYSA-N 177.251 0.840 30 20 ACED C#CCCCCNc1cc(=O)[nH]cn1 229733937 FNJOJQACRYGQQL-UHFFFAOYSA-N 191.234 0.985 30 20 ACED C=C(C)CNC(=O)c1cccc(=O)[nH]1 232450550 JCYMENVAXUOARM-UHFFFAOYSA-N 192.218 0.681 30 20 ACED C[C@@H](C#N)NC(=O)c1cncn1C 235509889 VLKZALMJNSOWDM-LURJTMIESA-N 178.195 0.062 30 20 ACED C[C@@H]1CC(=NNC(=N)N)CN1C1CC1 253182024 FPNVUNRWJRWSDO-ZCFIWIBFSA-N 195.270 0.082 30 20 ACED Cc1nocc1C(=O)N[C@@H](C)C#N 259718375 UQLYOMGGSUEFNJ-YFKPBYRVSA-N 179.179 0.625 30 20 ACED N#CC1CN(C(=O)[C@@H]2CCCCO2)C1 260018426 JSFSQJMDMHEOIV-VIFPVBQESA-N 194.234 0.537 30 20 ACED C#CC(=O)Nc1nnc(C2CC2)s1 306199345 ZUYWHCVACLOVCL-UHFFFAOYSA-N 193.231 0.987 30 20 ACED C[C@H](O)CNc1ccc(C#N)nn1 306277076 MTTNBOAQGWCBSN-LURJTMIESA-N 178.195 0.141 30 20 ACED C#CCOC(=O)[C@@]1(C)CCOC1 306289784 OHDCOGCBLPQRQD-VIFPVBQESA-N 168.192 0.589 30 20 ACED C[C@@]1(NCC2(C#N)CC2)CCOC1=O 306290870 QJAHVNSEXPRDOD-SECBINFHSA-N 194.234 0.585 30 20 ACED C#C[C@@H](C)NC(=O)c1cocn1 306438129 MMAWDRXQESLZKC-ZCFIWIBFSA-N 164.164 0.426 30 20 ACED C#CC(=O)N1CC[C@H](O)CC(C)(C)C1 306522800 QKXXYTLEJXICBI-VIFPVBQESA-N 195.262 0.629 30 20 ACED CN(CC(=O)NO)c1ccccc1 306608702 WUFBLQIXXUFNRE-UHFFFAOYSA-N 180.207 0.628 30 20 ACED Cn1cc(CC2(C=O)CC2)nn1 307036289 WWZXDDGXFWIREI-UHFFFAOYSA-N 165.196 0.337 30 20 ACED C=C[C@H](CO)Nc1nnc(C)c(C)n1 307266571 DIFILTRCBICTTA-MRVPVSSYSA-N 194.238 0.447 30 20 ACED C=C(CO)C(=O)N[C@@H]1CCC1(C)C 307458984 ALTMZHYYIYPTDP-MRVPVSSYSA-N 183.251 0.840 30 20 ACED C#CCN1CCNC(=O)[C@H]1C(C)C 307658934 DQFUCYVROCZZQP-SECBINFHSA-N 180.251 0.076 30 20 ACED C=CCNC(=O)N1CC[C@H]1C 307683176 TVTGYLROQKZBIF-SSDOTTSWSA-N 154.213 0.976 30 20 ACED CC#CC(=O)N1CC(F)(F)C1 307758271 ODWTXDIXPAOOFK-UHFFFAOYSA-N 159.135 0.487 30 20 ACED C=C(CC)CN(C)[C@H]1CCNC1=O 308177693 GARMVILXVCBCHY-VIFPVBQESA-N 182.267 0.773 30 20 ACED CN(CCC#N)CC(=O)N1CCC1 308220842 CHGWCRRLSHZUMI-UHFFFAOYSA-N 181.239 0.064 30 20 ACED C#C[C@H](NC(=O)NOCC)C(C)C 308301653 KWMQWSUXFJCJEU-QMMMGPOBSA-N 184.239 0.895 30 20 ACED C=CCOC(=O)[C@H]1CCNC(=O)C1 308344280 TZNFWLLROJXUJH-ZETCQYMHSA-N 183.207 0.242 30 20 ACED C#CCCCCC(=O)OCC(N)=O 308428801 YOBDZODUQWTSMQ-UHFFFAOYSA-N 183.207 0.209 30 20 ACED C=C[C@H](C)NC(=O)[C@@H]1COCCN1C 334382578 GQCFQUGHXWBXSE-IUCAKERBSA-N 198.266 0.008 30 20 ACED C=CCNC(=O)N1CCO[C@H](C)[C@@H]1C 335291567 FZODRGDQFOEVOX-DTWKUNHWSA-N 198.266 0.991 30 20 ACED CC#CCN1CCSC[C@H]1CO 335570340 YQCPIDBPQGYMHP-SECBINFHSA-N 185.292 0.419 30 20 ACED CC(C)C=Nn1c(O)nnc1O 379334624 MWVSJFWPINUZAV-UHFFFAOYSA-N 170.172 0.179 30 20 ACED C#CCOC(=O)C(C)(C)COC 379337083 VIUBHBVUXMXYMO-UHFFFAOYSA-N 170.208 0.835 30 20 ACED CON=CC(=O)N1CCCCO1 388496817 KJSNFTPNHRWTGV-UHFFFAOYSA-N 172.184 0.173 30 20 ACED C[C@H](O)CC(C)(C)CNC(=O)CC#N 393538685 VKMWSCRILYWRBK-QMMMGPOBSA-N 198.266 0.813 30 20 ACED CCOC1CC(C(=O)N[C@@H](C)C#N)C1 588950695 NDGZZPMAJVMFFM-UEJVZZJDSA-N 196.250 0.830 30 20 ACED Cn1cc(-c2cn(CC#N)nn2)cn1 600972403 IYZRGGZPLPWKOA-UHFFFAOYSA-N 188.194 0.202 30 20 ACED Cc1cc(Cn2cc(C#N)nn2)on1 603337377 YCZDUNYCJVBSMY-UHFFFAOYSA-N 189.178 0.495 30 20 ACED C[C@@H](C(=O)NCC(C)(C)C#N)N(C)C 611693340 KEZLQJYXTUDBKY-QMMMGPOBSA-N 197.282 0.602 30 20 ACED C=CCN(C)C(=O)[C@H](CC)NC(C)=O 632570474 NDBDHPKAFZARJP-VIFPVBQESA-N 198.266 0.546 30 20 ACED Cc1cnc(Cn2cc(C#N)cn2)nc1 685980921 XOZPNJDDYBQHEL-UHFFFAOYSA-N 199.217 0.902 30 20 ACED C=CCCCC(=O)NCCNC(C)=O 748283143 KHNWCRMZNRMWOF-UHFFFAOYSA-N 198.266 0.595 30 20 ACED C#CC(=O)N1CCC[C@@H](COCC)C1 754030078 SEPCQQPYUQCVCX-SNVBAGLBSA-N 195.262 0.895 30 20 ACED CN(CC1OCCO1)CC(C)(C)C#N 814669891 XUAFEONBHOZRPM-UHFFFAOYSA-N 198.266 0.841 30 20 ACED CONC(=O)c1ncc(C#N)cc1C 814916229 CUIKDNJMMULFDD-UHFFFAOYSA-N 191.190 0.553 30 20 ACED C#CCNC(=O)Cc1cc(C)no1 816821012 JATLCAQGVGNBGA-UHFFFAOYSA-N 178.191 0.275 30 20 ACED C=C[C@H](C)ONC(=O)[C@H]1CCOC1 824033277 HOXUPGQLJYUEMY-YUMQZZPRSA-N 185.223 0.645 30 20 ACED C=C[C@](C)(O)C(=O)N1CCC1(C)C 828405175 VYFUNKGBDHECOS-JTQLQIEISA-N 183.251 0.934 30 20 ACED C[C@H]1CC(=NN[C@H](C)CO)[C@@H](C)O1 834964243 JUAAPSYFDQRPMI-GJMOJQLCSA-N 186.255 0.510 30 20 ACED CO[C@H](C)C(C)=NN(C)[C@@H](C)CO 842540618 AOONNYJOXNNQII-IONNQARKSA-N 188.271 0.710 30 20 ACED C=C[C@](C)(O)c1cn(CCF)nn1 849146779 VXSLAOWNQVGEKY-QMMMGPOBSA-N 185.202 0.641 30 20 ACED C=CCCONC(=O)c1ncc[nH]1 856027117 ACLIGBQRYCJZLW-UHFFFAOYSA-N 181.195 0.647 30 20 ACED C#CCCOC(=O)NCCCN(C)C 858874939 FPJKVWYHBVUCMY-UHFFFAOYSA-N 198.266 0.688 30 20 ACED C#CCCOC(=O)N[C@@H]1CCC[C@H]1O 859185765 QBOOOTSOSRYIDH-RKDXNWHRSA-N 197.234 0.649 30 20 ACED C[C@@H](CC#N)NC(=O)CN1CCCC1 874251589 VEBHKKAGSDKYBD-VIFPVBQESA-N 195.266 0.501 30 20 ACED C#CCOCCN(C)[C@@H]1CCC[C@H]1O 886481949 OJBJFAHAFAMDSR-GHMZBOCLSA-N 197.278 0.481 30 20 ACED C=C1CN(CCS(=O)(=O)CC)C1 899900440 QLMRKTWVXRALFW-UHFFFAOYSA-N 189.280 0.293 30 20 ACED C=CCNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 905052509 ILPIQVPCSIRDMI-CNUIFLNQSA-N 179.219 0.514 30 20 ACED C#CCCCC(=O)N(C)CCC(=O)O 909171522 CRXMKEQROZFBHB-UHFFFAOYSA-N 197.234 0.723 30 20 ACED C#CC1(O)CN(CCOCCCC)C1 934443184 FSGMAJAXEIJSHV-UHFFFAOYSA-N 197.278 0.483 30 20 ACED CC(C)NCCNC(=O)[C@@H](C)C#N 1124908670 OZYWVDAMOWBAFL-QMMMGPOBSA-N 183.255 0.260 30 20 ACED CC#CC(=O)NCc1cccc(O)n1 1321410043 GKARQOQJUUWFCL-UHFFFAOYSA-N 190.202 0.427 30 20 ACED C#CCO[C@@H](C)C(=O)NC1(C)CC1 1324458859 IKBCYTUECLCACS-QMMMGPOBSA-N 181.235 0.693 30 20 ACED Cc1ncc2n1CC[C@@H](C(=O)NO)C2 1325874663 RLSBIJSOKCWXIF-SSDOTTSWSA-N 195.222 0.259 30 20 ACED N#CCCCn1cc(CO)nn1 1352960470 OSSQPSKSHJXDGN-UHFFFAOYSA-N 166.184 0.074 30 20 ACED CCN(CC#N)C(=O)C(C)(C)N 1574076358 GVXYCPFNXFVSSN-UHFFFAOYSA-N 169.228 0.096 30 20 ACED C#C[C@H](OC(=O)CCC(=O)O)C1CC1 1588385199 ACMMITLTSCLGOV-QMMMGPOBSA-N 196.202 0.806 30 20 ACED COC(=O)[C@]12O[C@@H]1[C@@H]1CCC[C@@H]12 1775956501 HPOUPBRFOHFWKX-JVZYCSMKSA-N 168.192 0.727 30 20 ACED C=CCN1[C@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 1776181311 UDRJYODOXVDJMG-XHNCKOQMSA-N 179.219 0.886 30 20 ACED CN1CC(=O)N(CCCC#N)C1=O 20296468 VAALABHKVKTRER-UHFFFAOYSA-N 181.195 0.184 30 20 ACED C[C@H](C#N)CNC(=O)NC1CC1 54457211 ATJYEMMMHPWISE-ZCFIWIBFSA-N 167.212 0.608 30 20 ACED C#CCNc1ncc(C)cn1 63048910 UHYTZPSAINZIEG-UHFFFAOYSA-N 147.181 0.830 30 20 ACED C[C@@H](C#N)C(=O)N(C)[C@H](C)CC#N 63093553 UUJMOZDQHGVIHM-JGVFFNPUSA-N 179.223 0.907 30 20 ACED C=C[C@@H](C)NC(=O)[C@H]1CCC(=O)NC1 130682205 LBYQTGHZUGGIRT-SFYZADRCSA-N 196.250 0.203 30 20 ACED N#CCC(=O)NC1CC=CC1 133066682 MGKRAYDLDSHGSM-UHFFFAOYSA-N 150.181 0.735 30 20 ACED C=C[C@H](C)NC(=O)CC(C)(C)N 158217816 ZOHFZTSDXMWFAV-ZETCQYMHSA-N 170.256 0.805 30 20 ACED C=C(C)CNC(=O)CSCC#N 167663782 VXSKXRKUBYWRFD-UHFFFAOYSA-N 184.264 0.935 30 20 ACED C#CCCCNc1cc(=O)[nH]cn1 229850611 KWBSNHFJDXIVMC-UHFFFAOYSA-N 177.207 0.595 30 20 ACED N=C(N)NN=C1CCCOCC1 252664973 WVTFMKFISSZOFA-UHFFFAOYSA-N 170.216 0.026 30 20 ACED C[C@H]1C(=O)N(C[C@@H](C)C#N)C(=O)N1C 261051961 JVSGIIAVWMFABC-BQBZGAKWSA-N 195.222 0.429 30 20 ACED N#Cc1cc2n(n1)CCOC2 261179928 DRIIZRAPHIGLLM-UHFFFAOYSA-N 149.153 0.285 30 20 ACED N#CCN1CCC(O)(C(F)F)CC1 306197114 WVZHRBQVFURULW-UHFFFAOYSA-N 190.193 0.602 30 20 ACED C#C[C@H](C)NC(=O)c1csc(=O)[nH]1 306464257 CJVBZCACOTUZII-YFKPBYRVSA-N 196.231 0.188 30 20 ACED C#CCNC(=O)c1cc(C=O)c[nH]1 307369254 NVEWFYBBVAYZJR-UHFFFAOYSA-N 176.175 0.190 30 20 ACED CC#CC(=O)N1C[C@H](O)C(C)(C)C1 307677760 JIRBYZGKKATHFJ-QMMMGPOBSA-N 181.235 0.239 30 20 ACED C[C@@H]1CCCC1=NNS(C)(=O)=O 307947386 KXJBODZCRZCEDH-ZCFIWIBFSA-N 190.268 0.712 30 20 ACED CC(C)[C@](C)(O)CNC(=O)CC#N 308140945 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0.399 30 20 ACED Cc1[nH]ncc1C(=O)N(C)CCC#N 70218096 WHAFBOIODYYYCT-UHFFFAOYSA-N 192.222 0.704 30 20 ACED C[C@H](CCCO)NC(=O)CC#N 87360334 PYTAVQMLGMOWNM-SSDOTTSWSA-N 170.212 0.177 30 20 ACED C[C@@H](C#N)C(=O)NCCc1ncc[nH]1 128725736 RIGNQNJYWHUBRB-ZETCQYMHSA-N 192.222 0.228 30 20 ACED N#CCCCNCC1(O)CCC1 131166059 SNQPEUKKYUOSLE-UHFFFAOYSA-N 168.240 0.795 30 20 ACED CC#CCCN1CCC(O)CC1 157761834 MQLBUUSCKQQAMR-UHFFFAOYSA-N 167.252 0.857 30 20 ACED O=C(NO)c1ccc[nH]c1=S 201137298 YIVHWJFITMCXDD-UHFFFAOYSA-N 170.193 0.863 30 20 ACED COCc1noc(CSCC#N)n1 225269055 LLXVZJDRDOVTQM-UHFFFAOYSA-N 199.235 0.973 30 20 ACED C[C@@H]1CCN(CCC#N)[C@@H]1CO 227007512 OBCGJWYQDWIQAK-RKDXNWHRSA-N 168.240 0.603 30 20 ACED CCN(C)C(=O)CN[C@@H](C)CC#N 229414197 SLENZFNRFBHRJV-QMMMGPOBSA-N 183.255 0.356 30 20 ACED C#C[C@H](C)N[C@@H]1CCO[C@@H]1C 229549411 OULJULLAURLFCN-DJLDLDEBSA-N 153.225 0.775 30 20 ACED C#CCCCN[C@H](C)CC(=O)O 229835621 XFUCZEPFHSOCGU-MRVPVSSYSA-N 169.224 0.853 30 20 ACED C=C(C)COCCNC(=O)C#CC 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ACED C#CCC[C@H](O)CNC(=O)CC 307962819 YOXOIDKHGAUEQA-QMMMGPOBSA-N 169.224 0.287 30 20 ACED N#C[C@H]1CC[C@H](NCCCO)C1 308095645 XZXYLCKMZHQPNN-IUCAKERBSA-N 168.240 0.651 30 20 ACED FC(F)CNN=Cc1ncc[nH]1 308161978 RTDNGMBFSCDRTE-UHFFFAOYSA-N 174.154 0.598 30 20 ACED C#CCON=C(C)c1nccn1C 308169512 YXXNWLKVBCGQSX-UHFFFAOYSA-N 177.207 0.794 30 20 ACED C=CCCCNCc1cnn(C)n1 308214658 YSVWVRCXRTVFSH-UHFFFAOYSA-N 180.255 0.871 30 20 ACED C#CCCCC(=O)N1CC(C)(O)C1 308333688 MJEANMRIOCUCDH-UHFFFAOYSA-N 181.235 0.383 30 20 ACED CO[C@](C)(C(=O)OCC#N)C1CC1 308428683 SINMFFZUVKAQGU-VIFPVBQESA-N 183.207 0.868 30 20 ACED C=C[C@H](CO)NCc1c(C)cnn1C 308731330 JQHFORUBTKZICB-SECBINFHSA-N 195.266 0.365 30 20 ACED CNC[C@H](O)C[C@@]1(C#N)CCCOC1 536954951 NGNCKEYVKBSKBG-NXEZZACHSA-N 198.266 0.277 30 20 ACED C=C[C@@](C)(O)CC(=O)N1CC(C#N)C1 590480778 AKJYLGSTJKZFLX-SNVBAGLBSA-N 194.234 0.295 30 20 ACED N#CCN(CCOCCO)C1CCC1 595600193 NQNNUXJHDWHRON-UHFFFAOYSA-N 198.266 0.373 30 20 ACED N#CC1(NC(=O)[C@H]2C[C@@H](O)C2)CCC1 602082075 FQONFRKXNXNBTO-OCAPTIKFSA-N 194.234 0.320 30 20 ACED N#C[C@H]1CCCN(C(=O)CCN)C1 642839838 XLKGUAZXCBVESX-MRVPVSSYSA-N 181.239 0.097 30 20 ACED C=C[C@H](O)C(=O)NC[C@H]1C[C@H]1C 646676919 HTALLNAFUJVWGI-PRJMDXOYSA-N 169.224 0.306 30 20 ACED C=CCN(C)C(=O)[C@H](C(=O)O)C(C)C 649465769 HRTGMFQJYDLQCY-MRVPVSSYSA-N 199.250 0.988 30 20 ACED O=C(NCC#CCO)[C@@H]1CC12CCC2 655057437 ZZBQOXDMZQTDTC-VIFPVBQESA-N 193.246 0.289 30 20 ACED CC#CCN1C(=O)[C@H]2CC[C@@H](C2)C1=O 664153323 NLUDJTSFIQJKCM-IUCAKERBSA-N 191.230 0.795 30 20 ACED CCC#C[C@@H](C)N1C[C@@H](O)C[C@H]1CO 681167910 YAYCRBNAXSEUJL-VWYCJHECSA-N 197.278 0.216 30 20 ACED COCC#CCN1CCC[C@H]1C(=O)O 694726040 BLEJIVRFGULRNL-VIFPVBQESA-N 197.234 0.185 30 20 ACED CN(C[C@H]1C[C@@H](O)C1)C(=O)CC#N 703883401 HBFTUOLBXAWBJB-OCAPTIKFSA-N 182.223 0.129 30 20 ACED N#CCN1CC[C@@]2(C(=O)O)CCC[C@@H]12 711651731 VFHUJTONHGHYOJ-SCZZXKLOSA-N 194.234 0.839 30 20 ACED CCN(CCC#N)C(=O)CNC(=O)O 737094207 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198.266 0.595 30 20 ACED C=C(C)CNC(=N)NC[C@H]1CCOC1 1327255550 OYHIIZWIHHSCAX-SECBINFHSA-N 197.282 0.713 30 20 ACED N#CC[C@@H](O)CNC1(C2CC2)CC1 1335766610 XDABKORJQSHQGC-SECBINFHSA-N 180.251 0.793 30 20 ACED C#CCCNC[C@@H](O)CC(C)(C)C#N 1336778432 GYPXAZVBXRUXIL-JTQLQIEISA-N 194.278 0.900 30 20 ACED C#Cc1cc(N(CC)CCO)ncn1 1537960125 XLKZGTBZJZHJKD-UHFFFAOYSA-N 191.234 0.277 30 20 ACED C#CCCCC(=O)N[C@@H]1CNC[C@H]1C 1574544754 ISSMPFJWBNPEQU-NXEZZACHSA-N 194.278 0.514 30 20 ACED C=CC[C@@H](NCC#CC)C(=O)O 1588745770 MYJDNACJZZEKKB-MRVPVSSYSA-N 167.208 0.629 30 20 ACED C#CCCN1C[C@H](C)O[C@H](C(=O)O)C1 1602708080 FALQZCAENKVVGK-IUCAKERBSA-N 197.234 0.184 30 20 ACED CCCNC(=O)[C@H](C)N(C)CC#N 45050010 ITRFHSVMYXKKJI-QMMMGPOBSA-N 183.255 0.356 30 20 ACED C#CC[C@@H](NC(=O)C(C)C)C(=O)O 59905350 UDIXGNZWNLQQCO-SSDOTTSWSA-N 183.207 0.235 30 20 ACED CCOC(=O)CN1CCC[C@H](C#N)C1 70663288 RJAAFLLHAFYZNJ-SECBINFHSA-N 196.250 0.785 30 20 ACED N#CCC1(COC2CNC2)CC1 83854635 FXKSBQGTRITXPF-UHFFFAOYSA-N 166.224 0.669 30 20 ACED C[C@@](O)(C=O)C(F)(F)F 85703201 LSNASLNKABPJLR-GSVOUGTGSA-N 142.076 0.499 30 20 ACED CC[C@](C)(CN)[C@@](C)(O)C=O 85925807 OTPGJMGNYNWXAE-SFYZADRCSA-N 159.229 0.311 30 20 ACED CCN(C)C(=O)NCCCC#N 85966219 UOCLEZNIIMSCJR-UHFFFAOYSA-N 169.228 0.951 30 20 ACED CC[C@H](C#N)C(=O)NCC(F)F 147749830 OVEJSJSFRHGJIJ-RXMQYKEDSA-N 176.166 0.917 30 20 ACED CO[C@H](C)C(=O)N[C@@H](C#N)C(C)C 160619377 SEOAMKQZFOLYRP-SFYZADRCSA-N 184.239 0.686 30 20 ACED C=CCN[C@@H]1C[C@H](O)C1(C)C 163300481 MVAKNQIFBOCCJJ-SFYZADRCSA-N 155.241 0.921 30 20 ACED C#C[C@@H](C)NC(=O)c1cc(C)no1 165274213 XCFPUUCGDNEZOQ-ZCFIWIBFSA-N 178.191 0.735 30 20 ACED CC[C@@](C)(C#N)NC(=O)CN(C)C 218035771 VFRIKWUTXDVJMK-VIFPVBQESA-N 183.255 0.356 30 20 ACED C#C[C@@H](CC)NC1CCS(=O)CC1 229557503 KPFYTEQHMPVGSD-JBLZRFIASA-N 199.319 0.899 30 20 ACED C#C[C@@H](CC)NC(=O)CCCOC 233905769 VEMMZKFNRRVVRC-VIFPVBQESA-N 183.251 0.941 30 20 ACED C=C1CCCN(C(=O)C(=O)O)C1 306163992 UXOMPFHTQNXRAJ-UHFFFAOYSA-N 169.180 0.250 30 20 ACED C=C[C@@H](C)NC(=O)[C@@H]1CCCO1 306285810 KFXNMCORWORXJO-SFYZADRCSA-N 169.224 0.856 30 20 ACED C#CCN1CCC[C@@H]([C@@H](C)O)C1 306291431 RDXZMGQZVOYCEY-NXEZZACHSA-N 167.252 0.712 30 20 ACED C#CC(=O)N1C[C@H](C)O[C@H](CC)C1 306293766 VHZNJFHWUHNFIQ-DTWKUNHWSA-N 181.235 0.646 30 20 ACED CC1(C)C[S@](=O)CCN1CC#N 306550213 UIVNQJNMTCRQNO-GFCCVEGCSA-N 186.280 0.353 30 20 ACED CN1CCC[C@H]1Cn1cnc(C#N)n1 306882525 NPXWXJPOVWWGNX-QMMMGPOBSA-N 191.238 0.244 30 20 ACED C=C[C@H](C)NC(=O)C1(C)CNC1 306888290 RULWQBOXYINYBD-ZETCQYMHSA-N 168.240 0.287 30 20 ACED C[C@H](CF)NC(=O)[C@H](C)C#N 306982737 JRQXOCVPPMOVPL-PHDIDXHHSA-N 158.176 0.620 30 20 ACED C=C(C)CN1CC[C@H](O)[C@@H](CO)C1 307057101 XBSHWSYQDORYFP-ZJUUUORDSA-N 185.267 0.238 30 20 ACED C#CCONC(=O)[C@@H]1CCCCO1 307518552 YXSMZCLKJQATPK-QMMMGPOBSA-N 183.207 0.237 30 20 ACED C[C@H](F)CCN1CCO[C@H](C#N)C1 307559203 WRWCQRWKSIJAOO-DTWKUNHWSA-N 186.230 0.959 30 20 ACED C1CC(=NN[C@@H]2CCSC2)CO1 308130500 XCKUHLBXRKTRFU-MRVPVSSYSA-N 186.280 0.858 30 20 ACED CC(C)[C@@](C)(O)C(=O)O[C@@H](C)C#N 308147970 MTGHFRIOUPVLAC-IONNQARKSA-N 185.223 0.849 30 20 ACED C#CCN(C)[C@@H](C)C(=O)OC(C)C 308164425 WVWYIVMCZFAREN-VIFPVBQESA-N 183.251 0.892 30 20 ACED C#CCCNC(=O)C[C@](C)(O)C=C 308322111 BYZVBFZYDCDUGY-SNVBAGLBSA-N 181.235 0.453 30 20 ACED C=CCCCC(=O)N(C)CC(N)=O 308458486 GRIXRNVDFOWCSI-UHFFFAOYSA-N 184.239 0.286 30 20 ACED Cn1cc(CNCC2(C#N)CC2)nn1 308508857 HTNMDOYZMRUVLF-UHFFFAOYSA-N 191.238 0.208 30 20 ACED C=C[C@H](C)Nc1ccc(=O)n(C)n1 334574887 AHAVMGVRZKEENI-ZETCQYMHSA-N 179.223 0.767 30 20 ACED C=CCN(C)C(=O)c1cnsn1 379327434 KRJPIYRCJLRJQN-UHFFFAOYSA-N 183.236 0.796 30 20 ACED Cc1ncsc1C=NNCC(=O)O 382109164 JQCTUPSKIYXJKV-UHFFFAOYSA-N 199.235 0.460 30 20 ACED C#CCN(CC)Cc1cnnn1C 388589022 KHYXUNUUQNISIS-UHFFFAOYSA-N 178.239 0.270 30 20 ACED CC[C@H](CO)N(C)C[C@@H](C)C#N 393298487 RGHNPVNVIPDPRI-DTWKUNHWSA-N 170.256 0.849 30 20 ACED CNC1CN([C@H](C#N)c2ccco2)C1 409440436 KZXBYIRGOMIFNN-SECBINFHSA-N 191.234 0.748 30 20 ACED C#Cc1cnn(-c2ncccn2)c1 585142703 BPSVMFWUAVECOX-UHFFFAOYSA-N 170.175 0.644 30 20 ACED CN(CC#N)C[C@@H](O)CC(C)(C)C#N 598591237 XGNIXXQFZOPFCF-VIFPVBQESA-N 195.266 0.743 30 20 ACED C[C@@H](CCC#N)CN1CC[C@@H](O)C1 602438616 SFGZCQRNAXYISH-VHSXEESVSA-N 182.267 0.993 30 20 ACED CCN(CC#N)C(=O)CN(C)C(C)C 604529880 XWMDTGNGDXWPEA-UHFFFAOYSA-N 197.282 0.699 30 20 ACED N#C[C@H]1COCCN1CCCCCO 610433417 RKOWDRRBEXLQOP-JTQLQIEISA-N 198.266 0.373 30 20 ACED C=CCCOCC(=O)NCCCC#N 612060921 SLULMRMYZIQPRX-UHFFFAOYSA-N 196.250 0.999 30 20 ACED C=C(C)CCNC(=O)N[C@H](C)CN 633018949 YEHGLTDXZOCDGY-MRVPVSSYSA-N 185.271 0.599 30 20 ACED C=C[C@H](CO)NC(=O)C1CSC1 633650402 VWRKLYZCDXIGET-SSDOTTSWSA-N 187.264 0.013 30 20 ACED C=C[C@H](O)C(=O)NCCC1CC1 669281607 POHUXWFNAKWLDZ-QMMMGPOBSA-N 169.224 0.450 30 20 ACED N#CCCNC[C@H]1C[C@H]1C(=O)O 715243814 FIXYTZXSMCRHDB-RNFRBKRXSA-N 168.196 0.210 30 20 ACED C#CCNC(=O)c1cnc2ccccn12 761710953 CLRHSZVNQWHMSK-UHFFFAOYSA-N 199.213 0.697 30 20 ACED COC[C@H](C)NN=C(C)c1ncc[nH]1 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GHNMHNNTMGHNDN-UHFFFAOYSA-N 181.195 0.028 30 20 ACED C=C[C@H](C)ONC(=O)Cc1cnc[nH]1 911903145 OJDHPIVZCBUDQL-ZETCQYMHSA-N 195.222 0.575 30 20 ACED C#CCCOC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 923575432 YTNCJKTZIRKTAG-FXBDTBDDSA-N 192.214 0.778 30 20 ACED C[C@H]1COCC1=NNCC(C)(C)O 1262036274 KXZLLNICBFFIPK-ZETCQYMHSA-N 186.255 0.369 30 20 ACED C#C[C@H](NC(=O)C#CCOC)C(C)C 1331171857 ZAMBPQUDMUPDTN-JTQLQIEISA-N 193.246 0.410 30 20 ACED O=CCOc1nc(O)c2cc[nH]c2n1 2048529674 WDRNUQVAAWQLQW-UHFFFAOYSA-N 193.162 0.241 30 20 ACED C[C@H](C#N)SCCO 47826267 KNEDVEOUSWLDJA-RXMQYKEDSA-N 131.200 0.624 30 20 ACED CC#CCN1CC[C@](C)(C(=O)O)C1 62935012 KAEFIGONVKJSCC-JTQLQIEISA-N 181.235 0.806 30 20 ACED C=CCNCc1cnc(N(C)C)n1C 69717944 SROVHKRVZARXIE-UHFFFAOYSA-N 194.282 0.762 30 20 ACED N#C[C@@H]1CN(C[C@H]2CCOC2)CCO1 82474111 YRXSNKSICQKBTK-NXEZZACHSA-N 196.250 0.247 30 20 ACED N/C(CC1CCC1)=N\O 83838919 GOWJYJWLSDUDJT-UHFFFAOYSA-N 128.175 0.923 30 20 ACED CN(C)CC(=O)N1CCC(C#N)CC1 104384889 KGABRFWMGBJJGK-UHFFFAOYSA-N 195.266 0.310 30 20 ACED C#CCSCCN[C@H](C)COC 129984427 WZQQZKWIQQUSHH-SECBINFHSA-N 187.308 0.977 30 20 ACED C#Cc1ccnc(C)n1 130328346 BACVLLLZNWIHDD-UHFFFAOYSA-N 118.139 0.766 30 20 ACED C#CCN(C)C(=O)[C@@H]1CO[C@H](C)C1 162361637 WIDKAGQDYGVGID-BDAKNGLRSA-N 181.235 0.503 30 20 ACED CC#CCCNC(=O)CNC(C)(C)C 164593446 KNDCKYGUAMYXMV-UHFFFAOYSA-N 196.294 0.904 30 20 ACED C=CCCC(=O)N1CCO[C@H](CN)C1 165625060 RDJMIXQRXUVLGT-SECBINFHSA-N 198.266 0.139 30 20 ACED C#CCC(=O)[C@@H]1CCNC1 169281155 HDGKGHDBLSNHRR-SSDOTTSWSA-N 137.182 0.188 30 20 ACED C=CCN1C(=O)[C@@H]2CSCN2C1=O 306260560 KITOPHGECNOEAF-LURJTMIESA-N 198.247 0.510 30 20 ACED CC(C)=CC(=O)NCC#CCO 306448431 IFWQKOOJGGEMDW-UHFFFAOYSA-N 167.208 0.065 30 20 ACED N#C[C@@H]1O[C@]12CC[C@H]1CC[C@H]2O1 306991312 UZEUQSPTKDBUKG-HXFLIBJXSA-N 165.192 0.989 30 20 ACED N#Cc1nccc(N[C@@H]2CCNC2)n1 307630133 YFJHDPBAAJESMX-SSDOTTSWSA-N 189.222 0.122 30 20 ACED C#CCNS(=O)(=O)CC(=C)C 307644896 WDCLUHKUQCELRZ-UHFFFAOYSA-N 173.237 0.115 30 20 ACED C=CCOC(=O)c1ccn(C)n1 308083784 LMVFRHDSXLHFAD-UHFFFAOYSA-N 166.180 0.763 30 20 ACED C=CCNS(=O)(=O)[C@@H](C)COC 308163681 SUNDRIBTNMQWKK-ZETCQYMHSA-N 193.268 0.127 30 20 ACED C=C[C@@H](COC)NC(=O)NCCF 308263268 NUYWYUHYWZHUSC-ZETCQYMHSA-N 190.218 0.456 30 20 ACED C=CC[C@@H](CO)CN[C@@H]1CCOC1 308357592 BNWFWNDZTZKMFK-NXEZZACHSA-N 185.267 0.550 30 20 ACED C=C(CC)CNC(=O)N1CC[C@H](N)C1 334946480 CHLUJTBHHMONNY-VIFPVBQESA-N 197.282 0.695 30 20 ACED C[C@H]1C[C@H](NC(=O)NCCC#N)CO1 335461640 MLDUNEGSTTXYGO-YUMQZZPRSA-N 197.238 0.377 30 20 ACED C=C[C@@H](C)NC(=O)[C@H](O)C(C)C 379313579 IMERCTOYPOIUCB-HTQZYQBOSA-N 171.240 0.694 30 20 ACED CC[C@@H](C)C=NN1C(=O)CNC1=O 379396527 HORHRFRSJPMLCV-ZCFIWIBFSA-N 183.211 0.570 30 20 ACED C#CCCCNC(=O)[C@H](C)OCC 388685927 JSNNOJLEACIKDR-VIFPVBQESA-N 183.251 0.941 30 20 ACED C[C@@H](C#N)OCCn1cccn1 393352007 XVLJAPLKJINFIQ-QMMMGPOBSA-N 165.196 0.812 30 20 ACED CNCCNC(=O)C1(C#N)CCCC1 593904295 SJGJWJLFJPYQPW-UHFFFAOYSA-N 195.266 0.406 30 20 ACED CC[C@H](CC#N)NC(=O)c1ncc[nH]1 597506466 AQHPLKUFRINYBW-SSDOTTSWSA-N 192.222 0.832 30 20 ACED C=C[C@H](O)C(=O)NCC(C)(C)CC#N 597763633 PTIRLDVNDGGYCO-QMMMGPOBSA-N 196.250 0.589 30 20 ACED CC[C@H](C#N)NC(=O)[C@](C)(O)C(C)C 613786896 ZEAKKZJUKIJMBJ-PSASIEDQSA-N 198.266 0.812 30 20 ACED C=CCCN(C)C(=O)[C@H](O)C1CC1 613842619 QFHHUCXHOUIEFM-SECBINFHSA-N 183.251 0.792 30 20 ACED Cc1nnc(CN(CC#N)C2CC2)o1 687716150 NLPWVYPXULQETQ-UHFFFAOYSA-N 192.222 0.866 30 20 ACED C#CCCCNC(=O)[C@@H]1C[C@H]1OCC 690058796 LJNXLNKNDUVFQV-NXEZZACHSA-N 195.262 0.941 30 20 ACED N#C[C@@H]1CCCN(C[C@H]2CCCN2)C1 703216766 ZEZCFARGFQVPCW-WDEREUQCSA-N 193.294 0.974 30 20 ACED C[C@@H](C#N)C(=O)N(C)C[C@@H](C)C(=O)O 736204113 YMHSEKRZDHPFML-NKWVEPMBSA-N 198.222 0.325 30 20 ACED C#CCNC(=O)N[C@H](CCO)C1CC1 741406784 ZSKHGDTUGYYBRV-SECBINFHSA-N 196.250 0.080 30 20 ACED CC(C)C#CC(=O)N[C@@H](C)C[C@H](C)O 831996883 RZHUVVYQFOQHEB-UWVGGRQHSA-N 197.278 0.921 30 20 ACED C=C(C)[C@@H]1OCC[C@@H]1CNC(=N)NC 849025418 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CC[C@@H](C#N)NC(=O)[C@@H]1CC(C)=NO1 825051337 ZQGNXGRVGOLFDL-YUMQZZPRSA-N 195.222 0.570 30 20 ACED C[C@@H](C#N)NC(=O)[C@H](C)CC(=O)O 825966517 FZRXCVKXUBOTEF-RITPCOANSA-N 184.195 0.125 30 20 ACED C[C@H](C#N)N(Cn1cnnc1)C1CC1 853547227 LQHZUZCOEVUKSF-MRVPVSSYSA-N 191.238 0.612 30 20 ACED C#CC[C@H](CO)NC(=O)/C=C/SC 854545804 QITZGSHKIGKVMD-HQZHTGGTSA-N 199.275 0.364 30 20 ACED C#CCNC(=O)N[C@H]1CC12CCC2 871629767 UVMRVGUIHGRULJ-QMMMGPOBSA-N 178.235 0.861 30 20 ACED CC[C@H](O)CNN=C1COC[C@H]1C 884469904 ZLWKSIBPYDWVKH-SFYZADRCSA-N 186.255 0.369 30 20 ACED C=CCCC(=O)N1CC[C@@H]1CO 889136251 GGDLBVWPHGPUPT-MRVPVSSYSA-N 169.224 0.546 30 20 ACED C=C[C@@](C)(O)Cc1nc(C)no1 895956455 MWFRXVRWPRSYBV-MRVPVSSYSA-N 168.196 0.858 30 20 ACED C#CCCNC(=O)N[C@H]1COC[C@H]1C 926000925 CQNFGNYUINEWIS-BDAKNGLRSA-N 196.250 0.344 30 20 ACED C[C@H]1CCOCCN1C[C@H](O)CC#N 930235934 SFSUHVKYXDPQRH-VHSXEESVSA-N 198.266 0.372 30 20 ACED C=CCN1CCOC[C@H]1CNC(C)=O 1050776476 KJMFNKKOPCVVGP-SNVBAGLBSA-N 198.266 0.009 30 20 ACED C[C@@H](C#N)OC(=O)CCc1nc[nH]n1 1252832835 KVBLZULDHYBYFW-LURJTMIESA-N 194.194 0.193 30 20 ACED CC[C@H](C#N)NC(=O)C#CCOC 1328273559 PJNBZVLYRVOPQB-MRVPVSSYSA-N 180.207 0.055 30 20 ACED C[C@@H](CC#N)N(C)C(=O)CC1COC1 1350567389 ORUBZXSBXJUWSC-QMMMGPOBSA-N 196.250 0.783 30 20 ACED C#CCC1(NC(=O)[C@@H](C)N)CCC1 1574067176 LIWQDUZAUQVSDR-MRVPVSSYSA-N 180.251 0.396 30 20 ACED C=C[C@@H]1OCC[C@H]1NCCCNC 1574960914 VQQMPKOXHZZKAU-ZJUUUORDSA-N 184.283 0.529 30 20 ACED N#CC1(CNC2CC3(C2)C[C@H]3N)CC1 1580038827 UKPCMNPKXYXQOF-INWMGODYSA-N 191.278 0.760 30 20 ACED C=CCn1cc(CNCC(=O)O)cn1 1776190512 YSOITLOUNQHBPK-UHFFFAOYSA-N 195.222 0.243 30 20 ACED NC(C=O)=Nc1ccc(C(=O)O)cc1 1857775696 OMVLQKNUFMRHFA-UHFFFAOYSA-N 192.174 0.572 30 20 ACED C=CC[C@H](F)C(=O)O 38415639 JZKRBMFWHADHHO-BYPYZUCNSA-N 118.107 0.985 30 20 ACED C#CCN(CC(N)=O)C1CCCC1 42253616 UDNJFRQJKLYXKL-UHFFFAOYSA-N 180.251 0.350 30 20 ACED Cn1cc(C(=O)NCCC#N)cn1 48521446 ZZZAKGLRAAWTIV-UHFFFAOYSA-N 178.195 0.064 30 20 ACED C[C@@H](C#N)CNC(=O)c1cccnc1 54157352 QYWSHEDDFSLCKW-QMMMGPOBSA-N 189.218 0.971 30 20 ACED COC(=O)CCC(=O)NC(C)(C)C#N 71507691 UITIBOLNWURJSG-UHFFFAOYSA-N 198.222 0.358 30 20 ACED C#CCCN1CCC(CC(N)=O)CC1 82493923 PRNQIYLVYVKNPU-UHFFFAOYSA-N 194.278 0.597 30 20 ACED N#CC1(C(=O)NC2CC2)CCC1 82730580 FQFYJDZUEAQFCI-UHFFFAOYSA-N 164.208 0.959 30 20 ACED C#CCNCC(=O)N[C@@H]1CC=CCC1 86157560 YLTJEIWCNBQWJT-SNVBAGLBSA-N 192.262 0.434 30 20 ACED C[C@H](CO)CNc1ncccc1C#N 88389818 QEWRGJXQGHKDMP-QMMMGPOBSA-N 191.234 0.994 30 20 ACED C#C[C@@H](CC)NC(=O)OC 104625690 WEQUQWCJSKUDGB-LURJTMIESA-N 141.170 0.754 30 20 ACED C=CCN(C)C(=O)N1CCOCC1 127612136 YAAFLXUNUWMJPH-UHFFFAOYSA-N 184.239 0.556 30 20 ACED C[C@@H]1C[C@H](C(=O)NC(C)(C)C#N)CO1 162079519 HDIMIVNTLUTEFD-SFYZADRCSA-N 196.250 0.830 30 20 ACED CC#CCCNC(=O)c1ccon1 163324923 YGTSYZSCZHHFEV-UHFFFAOYSA-N 178.191 0.818 30 20 ACED C=CC(=O)[C@@H]1C=C[C@@H](N)C1 226563155 VOMWZWWFWNTZRX-RNFRBKRXSA-N 137.182 0.645 30 20 ACED CC#CCNC(=O)c1cccnc1F 232473652 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20 ACED CC[C@H]1CN(C)CCN1C(=O)CC#N 590522885 DGJPTTLKKAKETI-VIFPVBQESA-N 195.266 0.453 30 20 ACED C[C@H](C#N)CN(C)C(=O)C(C)(C)CO 594250016 BCXMIFFYMPTLTO-MRVPVSSYSA-N 198.266 0.623 30 20 ACED C[C@H](CC#N)NC(=O)c1ncc[nH]1 596997340 CMLWOBGSPAJCPC-ZCFIWIBFSA-N 178.195 0.442 30 20 ACED CCN(C(=O)[C@H](C)OC)[C@H](C)C#N 598356657 UDZAXESTTKYBLF-SFYZADRCSA-N 184.239 0.782 30 20 ACED CC(C)(O)CCn1cc(C#N)nn1 603336305 PVQRSBDYPGOZEJ-UHFFFAOYSA-N 180.211 0.311 30 20 ACED CC[C@@H](CC#N)NC(=O)C1(C)COC1 613039849 ITIUYOHYTCWAST-QMMMGPOBSA-N 196.250 0.831 30 20 ACED C=C[C@@H](O)C(=O)N1CC(C)(CC)C1 615109283 VSEFUWWVXSQBKW-MRVPVSSYSA-N 183.251 0.792 30 20 ACED C=C[C@@H]1OCC[C@H]1NC(=O)N(C)C 657004475 YRWVOPYKDVNEDJ-SFYZADRCSA-N 184.239 0.601 30 20 ACED C=C[C@H](CO)NCc1cnc(C)n1C 657793211 GXEDGVPBBHRGBG-SECBINFHSA-N 195.266 0.365 30 20 ACED C=C[C@H](CO)NCc1nc(C)c(C)[nH]1 657794942 ZJFOSNYNWFXQEY-SECBINFHSA-N 195.266 0.663 30 20 ACED C=CCC[C@@H](O)CN1CC[C@@H](CO)C1 675507200 OHPDAYPAHCEBOJ-GHMZBOCLSA-N 199.294 0.628 30 20 ACED C[C@@H](C#N)C(=O)N(C)CCC(=O)O 737559213 IAFBARCFWBXRCZ-LURJTMIESA-N 184.195 0.079 30 20 ACED C#C[C@H](C)NC(=O)NCc1ccon1 773599537 RECCWGMERUQSPW-ZETCQYMHSA-N 193.206 0.496 30 20 ACED C#CCNC(=O)c1conc1C1CC1 798152456 ONQWSERCSCVAGM-UHFFFAOYSA-N 190.202 0.915 30 20 ACED Cn1cc(C(=O)OC(C)(C)C#N)cn1 805116103 VSZUBXZEZVPNDD-UHFFFAOYSA-N 193.206 0.879 30 20 ACED C#C[C@H](C)NC(=O)N[C@@H](CC)[C@@H](C)O 820399255 CIVMLLBRSBUEIF-YIZRAAEISA-N 198.266 0.467 30 20 ACED C=CCCONC(=O)[C@H]1CCOC1 825555585 CHMKFKXYPHUEFY-QMMMGPOBSA-N 185.223 0.647 30 20 ACED COCC[C@@H](C)NC(=O)C#CC1CC1 837384082 RXQLJMCISILRKI-SECBINFHSA-N 195.262 0.941 30 20 ACED C#CCN(C)C(=O)[C@@H](CC)[C@H](C)O 842258746 RQEDOXNNSOMTBO-IUCAKERBSA-N 183.251 0.485 30 20 ACED C/N=C(/NC[C@H](C)N(C)C)NC1CC1 848996657 NNKTYLWOMRTQOX-QMMMGPOBSA-N 198.314 0.264 30 20 ACED C=CCONC[C@@H](O)c1ccccn1 853106908 LFLHAIUFWAIAFT-SNVBAGLBSA-N 194.234 0.822 30 20 ACED CNCCCNC(=O)C#CC(C)(C)C 876508143 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194.278 0.562 30 20 ACED CC#CCNC(=O)[C@@](C)(O)C1CCC1 813502407 RKZWVZJOUUVCIG-NSHDSACASA-N 195.262 0.677 30 20 ACED C#C[C@H](CCC)NC(=O)[C@H]1C[C@@H](O)C1 822398526 YNWFBPKIUCKUEU-BBBLOLIVSA-N 195.262 0.675 30 20 ACED C=C[C@@H](C)ONC(=O)c1ncn(C)n1 846552523 JODATLRILHMJBA-ZCFIWIBFSA-N 196.210 0.051 30 20 ACED C=CCNC(=N)NCC1(C#N)CCC1 849043181 GTDVTCSIBOVUSS-UHFFFAOYSA-N 192.266 0.980 30 20 ACED C#C[C@H](CC)N[C@H](C)COC(C)=O 894387855 XFWWIUFGNPALIO-PSASIEDQSA-N 183.251 0.939 30 20 ACED C=C1CN(C(=O)c2cnn(CC)c2)C1 898697096 PLFSPFJFWVLLEV-UHFFFAOYSA-N 191.234 0.915 30 20 ACED C=CCN(C)C(=O)[C@@H](CC)C(=O)O 909721662 PEEIRBBPXMXWMM-SSDOTTSWSA-N 185.223 0.742 30 20 ACED CCN(CC#N)C(=O)[C@](C)(O)CC 930619235 MDSQKNBVSMXAKE-SECBINFHSA-N 184.239 0.519 30 20 ACED C#CCN1CC[C@@H](CNC(C)=O)C1 1028360190 CCBHHTXWEWSCAZ-JTQLQIEISA-N 180.251 0.078 30 20 ACED C[C@H]1C[C@@H]1C(=O)N1CC(O)(CC#N)C1 1116678506 NVEFLSUZHMPBEV-YUMQZZPRSA-N 194.234 0.129 30 20 ACED C=CC[C@H](C)NC(=O)N1CC[C@@H]1CO 1340066011 UYCORYTYNVGOSU-DTWKUNHWSA-N 198.266 0.727 30 20 ACED N#CCCNC(=O)N1CC(F)(F)C1 1346403977 NEWREZPUQPPUBZ-UHFFFAOYSA-N 189.165 0.561 30 20 ACED CC(C)NC(=O)CN(C)CCC#N 19834171 OHVMBZBSIULQHP-UHFFFAOYSA-N 183.255 0.356 30 20 ACED C=CCN(CC=C)C(=O)C[C@@H](C)N 37476021 FBFLPQSNESGSQN-SECBINFHSA-N 182.267 0.924 30 20 ACED N#CCNC(=O)c1ccc(C#N)cc1 37714267 PBFPUJYJZDUYPH-UHFFFAOYSA-N 185.186 0.812 30 20 ACED C[C@H](C#N)C(=O)NC1CCC1 52211283 BIXKXHXJMPCLKQ-ZCFIWIBFSA-N 152.197 0.815 30 20 ACED COCC1CCN(CC#N)CC1 69631697 WNWUPRYXZNEURP-UHFFFAOYSA-N 168.240 0.868 30 20 ACED CCOc1ccccc1/C(N)=N\N 88383580 AIRIJTSCJYEFNI-UHFFFAOYSA-N 179.223 0.664 30 20 ACED in-vitro C#CCN(CC)C(=O)[C@H]1CCOC1 109793531 NFRUSVDGIIIDTI-VIFPVBQESA-N 181.235 0.505 30 20 ACED C=CCN(C)C(=O)N[C@@H]1CCOC1 127614325 UBZDRZRIPQHWOT-MRVPVSSYSA-N 184.239 0.603 30 20 ACED CN(CC(F)F)C(=O)CC#N 132178765 ZRFMQVHZFFJMFZ-UHFFFAOYSA-N 162.139 0.624 30 20 ACED C#CC(=O)[C@@H]1CCCNC1 135339403 ZOJRIRGSQABFGY-SSDOTTSWSA-N 137.182 0.188 30 20 ACED O=C(O)CCCCC(=O)NO 141009065 WWLQAVWJJBDVTB-UHFFFAOYSA-N 161.157 0.137 30 20 ACED C#C[C@@H](C)NC(=O)c1cnn(C)c1 165264187 VXJVUMQQGLLPPD-SSDOTTSWSA-N 177.207 0.172 30 20 ACED C#C[C@@H](C)NC(=O)[C@H]1CCCCO1 165268807 FQZZGWJDUJMTFT-RKDXNWHRSA-N 181.235 0.693 30 20 ACED N#CCC(=O)NOCC(F)(F)F 229007303 AJJKDIMQXSGKMF-UHFFFAOYSA-N 182.101 0.510 30 20 ACED C#CCCCCNC(=O)c1cn[nH]c1 229745085 URCKFWVTMHRMOL-UHFFFAOYSA-N 191.234 0.943 30 20 ACED C[C@H]1CC(NC(=O)[C@H](C)C#N)=NO1 306301352 GJMLUPUDDSKKGA-RITPCOANSA-N 181.195 0.385 30 20 ACED C=C(Cl)CNC(=O)[C@@H](C)O 306324696 KWYWJOGRIGDZKJ-RXMQYKEDSA-N 163.604 0.236 30 20 ACED C#C[C@@H](C)NC(=O)C1(OC)CCC1 306414752 OVGUUDYBIWUPSH-MRVPVSSYSA-N 181.235 0.693 30 20 ACED CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 307268931 GGRKUXNVGFIHGE-JGVFFNPUSA-N 181.239 0.998 30 20 ACED C=CCNC(=O)C1=COCC1 307283285 JNOSIWDXLRZFRD-UHFFFAOYSA-N 153.181 0.593 30 20 ACED CNC(=O)CN1CCC[C@@H](CC#N)C1 307488364 DNCXPQAPTXTZDF-VIFPVBQESA-N 195.266 0.358 30 20 ACED C=CCN(C)[C@H](C)CS(C)(=O)=O 308042617 OANWZDVFIPNUPH-MRVPVSSYSA-N 191.296 0.537 30 20 ACED CNC(=O)[C@H](C#N)C(=O)/C=C/SC 308250017 FCWIENGOEUSROD-FCJGRKLLSA-N 198.247 0.318 30 20 ACED Cc1csc(C=NN[C@H](C)CO)n1 308264503 PDBDDKXNOAFVNR-ZCFIWIBFSA-N 199.279 0.756 30 20 ACED C#CCONC(=O)[C@H]1C[C@H]1OCC 308390943 ZKYULAZNNDADNL-JGVFFNPUSA-N 183.207 0.092 30 20 ACED C#CCN[C@@H](C)[C@H](C)C(=O)OCC 308437035 XENNVGGMJIPARF-IUCAKERBSA-N 183.251 0.797 30 20 ACED CC[C@@H]1C(=O)N(CC)CCN1CC#N 336490337 RTTVAECQRIGIBD-SECBINFHSA-N 195.266 0.453 30 20 ACED CN(C(=O)NCCC#N)C1CC1 336512221 PFVKYEIDMQOILA-UHFFFAOYSA-N 167.212 0.704 30 20 ACED CC#CCOC(=O)[C@@H](CC)OC 379311400 LNJJRJNZDQBHEH-MRVPVSSYSA-N 170.208 0.978 30 20 ACED C#CCN[C@H]1CCC[C@H]1CCO 379332699 HXNIGQUZWIMFKV-UWVGGRQHSA-N 167.252 0.760 30 20 ACED C[C@H](CO)CN[C@H]1CC[C@H](C#N)C1 379381956 DKHZRZLGADEPCR-GUBZILKMSA-N 182.267 0.897 30 20 ACED C[C@@H](CCCO)CNC(=O)[C@@H](C)C#N 394962656 ODJGOIZANCXIJC-IUCAKERBSA-N 198.266 0.671 30 20 ACED Cc1cc(C(N)=NO)ncc1[N+](=O)[O-] 585672515 IUSJAIUVAARYDK-UHFFFAOYSA-N 196.166 0.393 30 20 ACED COC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)C#N 589788988 YZRDCSFQCBOJBT-XHNCKOQMSA-N 198.266 0.933 30 20 ACED CC[C@@H](C#N)C(=O)NC1(C#N)CC1 593473661 UZQADHAWMMWBEN-ZETCQYMHSA-N 177.207 0.709 30 20 ACED CC(F)(F)CN=c1cc[nH]c(C#N)n1 594585637 MUNOLGOCMZJLEU-UHFFFAOYSA-N 198.176 0.837 30 20 ACED C[C@@H](CC#N)C(=O)N1C[C@@H]2C[C@H]1CO2 600779230 QYAIHMDMGNDJOE-CIUDSAMLSA-N 194.234 0.536 30 20 ACED CC1(C#N)CN(CCn2cccn2)C1 619569483 QRSZIEVJZRPDNG-UHFFFAOYSA-N 190.250 0.729 30 20 ACED C=C[C@@H](O)C(=O)NCc1cccnc1 646577586 YXEQHOQIMCKZIB-SECBINFHSA-N 192.218 0.245 30 20 ACED C=CC[C@H]1CCCN(CC(N)=O)C1 661379383 XSJOPLBNWYAOLE-VIFPVBQESA-N 182.267 0.760 30 20 ACED C=C[C@H](CO)N[C@@H](C)c1noc(C)n1 662168506 JFDRJEVLCBVFET-POYBYMJQSA-N 197.238 0.576 30 20 ACED CC(=O)CCC(=O)N(CC#N)C1CC1 669696882 LZCFLHDVXPIAEB-UHFFFAOYSA-N 194.234 0.870 30 20 ACED CON(C)C(=O)[C@@H](N)CCCC#N 691541670 YVNVSZIYHLBWJA-ZETCQYMHSA-N 185.227 0.027 30 20 ACED C=C[C@@H](C)NC(=O)C(OC)OC 692632454 NZDGGTGJBLOCDP-ZCFIWIBFSA-N 173.212 0.296 30 20 ACED C#CC(=O)N1CCC(CN(C)C)CC1 692880015 IYYPDISBEJBPJO-UHFFFAOYSA-N 194.278 0.420 30 20 ACED C#CCCNC(C)(C)CC(=O)O 694033632 MYINMACGNIMLIS-UHFFFAOYSA-N 169.224 0.853 30 20 ACED C#CC(C)(C)NC(=O)[C@@H](O)C(C)(C)C 765045519 IOGPZMMHWRTXOI-MRVPVSSYSA-N 197.278 0.921 30 20 ACED C#C[C@H](C)N(C)C(=O)[C@@H]1CCCOC1 767244072 NBJKDDUUXWULSD-VHSXEESVSA-N 195.262 0.893 30 20 ACED C[C@H](C#N)CNN=C1C[C@@H](C)N(C)C1 771104093 QKHULJUHQBDGSN-RKDXNWHRSA-N 194.282 0.816 30 20 ACED C#CCNC(=O)N1CC(C(C)(C)O)C1 780172091 UFQLOLYJJHVACV-UHFFFAOYSA-N 196.250 0.032 30 20 ACED CC#CC(=O)NC[C@H]1CCC[C@H]1OC 801183184 YLGHSMJCMACHCB-NXEZZACHSA-N 195.262 0.941 30 20 ACED N#CCCNC(=O)c1cc(C=O)c[nH]1 816509884 FWKICPLZFMZARN-UHFFFAOYSA-N 191.190 0.471 30 20 ACED C#CCCCCNC(=O)[C@@H](C)N(C)C 820837405 KDYKPZIZBPDWHF-SNVBAGLBSA-N 196.294 0.856 30 20 ACED C#CCNC1(COC)CCOCC1 821332295 ODDSFXDWOXDAJH-UHFFFAOYSA-N 183.251 0.405 30 20 ACED C=CCONC(=O)c1[nH]cnc1C 823421358 XCMJIODIEVQKPD-UHFFFAOYSA-N 181.195 0.566 30 20 ACED CCc1cccc(C(=O)NO)n1 824221411 OMGWVRDTCLVDRK-UHFFFAOYSA-N 166.180 0.763 30 20 ACED C=CCN1CC[C@H](OC(=O)N(C)C)C1 830486800 IUCXTVJDVJFESD-VIFPVBQESA-N 198.266 0.945 30 20 ACED C#CCNC(=O)N1CCN[C@@H](C)[C@@H]1C 841507188 SMSMDEDOILPBRL-IUCAKERBSA-N 195.266 0.011 30 20 ACED C[C@@H](C#N)CNC(=N)N1CCOCC1 849003803 HHWWWJJONHHSNF-QMMMGPOBSA-N 196.254 0.003 30 20 ACED C#CC1(O)CN(C(=O)[C@@H](C)C(C)C)C1 890522108 CQZUPMYSKUAKOP-VIFPVBQESA-N 195.262 0.485 30 20 ACED C#CC1(O)CN(c2nccs2)C1 897343229 NLUQBISREFWTPT-UHFFFAOYSA-N 180.232 0.327 30 20 ACED C#CC1(O)CN(C[C@H](C)CCC#N)C1 898145273 VSGPZSICHKRMEI-SNVBAGLBSA-N 192.262 0.606 30 20 ACED CCOC(=O)[C@@H](CC)C(=O)NO 904157578 DSIZOBZBUNMKJY-YFKPBYRVSA-N 175.184 0.081 30 20 ACED C=CCC[C@H](O)CN1CC[C@@H]1CO 934027184 PRPYYSRLOUUDJL-ZJUUUORDSA-N 185.267 0.380 30 20 ACED C=C[C@@H](CC)CC(=O)N1CC(O)C1 934588186 OZWICMYLGLISHI-QMMMGPOBSA-N 183.251 0.792 30 20 ACED C#CCN1CC[C@@H](NC(C)=O)C[C@H]1C 946931074 BPWRELFZSZHXGF-MWLCHTKSSA-N 194.278 0.609 30 20 ACED C#CCN[C@H]1CCC[C@@H](NC(C)=O)C1 980828712 FCEXCBKEPLHIRD-WDEREUQCSA-N 194.278 0.657 30 20 ACED C=CCN[C@H]1C[C@H](NC(=O)C2CC2)C1 1019911502 HPASOFGYZSNBKC-MGCOHNPYSA-N 194.278 0.819 30 20 ACED C#CCN1CC(CNC(=O)C2CC2)C1 1031509367 ZDIDYIWUVAYCMG-UHFFFAOYSA-N 192.262 0.078 30 20 ACED CC#CCN[C@@H](C(=O)OCC)C1CC1 1118224846 RMBHVLZOKMWTCG-SNVBAGLBSA-N 195.262 0.941 30 20 ACED CCn1nnnc1N(C)[C@@H](C)CC#N 1119646421 LAGQGWGHOMPILI-ZETCQYMHSA-N 194.242 0.431 30 20 ACED CC[C@@H](C#N)C(=O)NC/C=C\CO 1261750740 HOWODCGSQJBXAQ-VEMNSZJBSA-N 182.223 0.201 30 20 ACED CC(C)C#CC(=O)N[C@@H]1CO[C@@H](C)C1 1334454563 PGNFSYVKTKOFPN-UWVGGRQHSA-N 195.262 0.939 30 20 ACED CC(=O)[C@H](C#N)c1nccn1C 1515839378 WYTIQJVLEJGSCZ-ZETCQYMHSA-N 163.180 0.616 30 20 ACED C=C(CC)C(=O)N1CC[C@H]2CNC[C@H]21 1574848587 BDMSRMADMLCKND-VHSXEESVSA-N 194.278 0.773 30 20 ACED C#CCNC(=O)c1ccc(N)c(C)c1 19425558 BRSRNKSOYIYYTM-UHFFFAOYSA-N 188.230 0.940 30 20 ACED CC[C@H](C#N)Sc1nnc(N)n1C 43542963 MXUSJHKTJIHQEF-RXMQYKEDSA-N 197.267 0.792 30 20 ACED CCN(CC#N)S(=O)(=O)CC 44411886 OTGLMDSUDNSFAM-UHFFFAOYSA-N 176.241 0.182 30 20 ACED C=C[C@H]1C[C@]1(N)C#N 83942340 ARUOAADRSAMGHK-WDSKDSINSA-N 108.144 0.413 30 20 ACED in-vitro C#C[C@H](C)NC(=O)c1cnn(C)c1C 165223836 FWZHEYMPQDWBLB-ZETCQYMHSA-N 191.234 0.480 30 20 ACED C#C[C@@H](C)NC(=O)CCC(C)=O 166838965 ULKIVTVXKRMVFA-SSDOTTSWSA-N 167.208 0.494 30 20 ACED C=CCCNC(=O)CCOC 168921991 ROOFUDUBAIGJGO-UHFFFAOYSA-N 157.213 0.715 30 20 ACED C=CCN1CC[C@@H](C)[C@@H]1CO 227175823 ZZDGJASCVJTXGR-BDAKNGLRSA-N 155.241 0.875 30 20 ACED C#C[C@H](C)NC(=O)[C@](C)(CC)OC 234120576 AWGLVAAORYBRFV-WPRPVWTQSA-N 183.251 0.939 30 20 ACED N=C(N)NN=Cc1cccs1 252447861 PSZMRWZPIAGXQW-UHFFFAOYSA-N 168.225 0.565 30 20 ACED C=CC1CCN(C(=O)C(=O)O)CC1 306160744 GBVKMWZYBPEUQN-UHFFFAOYSA-N 183.207 0.496 30 20 ACED C#CCNC(=S)N1CC[C@H]1C 306386641 SQENRWFTTVUSLG-SSDOTTSWSA-N 168.265 0.588 30 20 ACED C[C@H]1[C@H](CO)CCN1C(=O)CC#N 306439330 HEJGCBBOFYZSEI-YUMQZZPRSA-N 182.223 0.129 30 20 ACED C[C@@H]1OCC[C@@H]1C(=O)OCC#N 306535593 PTUQLUWOMPDEQE-BQBZGAKWSA-N 169.180 0.478 30 20 ACED C#C[C@@H](NC(=O)[C@H](C)O)C(C)C 306602552 LLSFSWMTOKATRN-JGVFFNPUSA-N 169.224 0.141 30 20 ACED C[C@@H]1COCCN(C(=O)[C@@H](C)C#N)C1 306776483 YXKQXYVTVGWHQJ-IUCAKERBSA-N 196.250 0.641 30 20 ACED C#CCCCN1C(=O)[C@H]2CC[C@H]2C1=O 306975381 YFCSZHOGYDMWJY-DTORHVGOSA-N 191.230 0.795 30 20 ACED C#C[C@H](C)N1C(=O)[C@@H](C)NC1=S 307402595 APRNMRMGHYMPTJ-NTSWFWBYSA-N 182.248 0.113 30 20 ACED Cc1ocnc1CNC(=O)CC#N 307726225 CBENAXGWYAFBGG-UHFFFAOYSA-N 179.179 0.513 30 20 ACED C=CCCC[C@@H](C)NC(=O)CO 307948727 MCUWNKFCRUCVAK-MRVPVSSYSA-N 171.240 0.840 30 20 ACED COCCOC(=O)CCCC#N 307973166 IORIWVGDJIZKRO-UHFFFAOYSA-N 171.196 0.870 30 20 ACED COC[C@@H](C#N)OC(=O)C1CC1 307981271 OVBXGQQEHCHYTN-SSDOTTSWSA-N 169.180 0.478 30 20 ACED C[C@H](CC#N)NCCn1cncn1 308157037 SBDOJOSAHQDXDL-MRVPVSSYSA-N 179.227 0.170 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C#C[C@H](NCC[N+](=O)[O-])[C@H]1CCCO1 1119823459 SPBJHMXCJXAXHZ-DTWKUNHWSA-N 198.222 0.034 30 20 ACED OCCNN=Cc1cccn1C1CC1 1324610147 HVUYJZUUJZCVKN-UHFFFAOYSA-N 193.250 0.739 30 20 ACED C[C@H](CC#N)NC[C@@H]1CN(C)C(=O)O1 1352898444 JBZDYNWXEMIUAU-HTQZYQBOSA-N 197.238 0.329 30 20 ACED C[C@H](CNC(=O)C#CC1CC1)C(=O)O 1589038887 JBAGCDOLWRTVLE-SSDOTTSWSA-N 195.218 0.237 30 20 ACED SCc1c[nH]cn1 5889252 CUJKQNHBJRVCET-UHFFFAOYSA-N 114.173 0.840 30 20 ACED COC(=O)[C@@H]1CCCN1C(=O)CC#N 35423640 PHLBEVAFSAZDMK-ZETCQYMHSA-N 196.206 0.064 30 20 ACED N#CCCn1cc(CCCO)cn1 54669871 ZAJFUQZYJZCGDI-UHFFFAOYSA-N 179.223 0.722 30 20 ACED Cc1ccnc(-n2cnc(C#N)n2)n1 61860050 MBOFWCDSSAZXTL-UHFFFAOYSA-N 186.178 0.237 30 20 ACED C[C@H](C#N)NC(=O)[C@H]1CCCS1 69982109 IJMDNBASMRKYHM-RNFRBKRXSA-N 184.264 0.910 30 20 ACED C=CCNC(=O)CNC(=O)C(C)(C)C 70224705 KPBZZOXGFVFBLB-UHFFFAOYSA-N 198.266 0.451 30 20 ACED N#C[C@@H]1CN(C(=O)CC2CC2)CCO1 82473510 WEJJPBODSBRJML-SECBINFHSA-N 194.234 0.537 30 20 ACED COCC[C@@H](C)N(C)CC#N 130128963 NHBKVEXSLGTZIF-MRVPVSSYSA-N 156.229 0.867 30 20 ACED CC#CC(=O)N1CC[C@H](O)C(C)(C)C1 306408242 LUXOBLPRCYPTNL-VIFPVBQESA-N 195.262 0.629 30 20 ACED C#CCNC(=O)N(C)C1CCC1 306411152 OFXQYAORSIXSOO-UHFFFAOYSA-N 166.224 0.814 30 20 ACED C#CC(=O)NCC(F)(F)C(F)F 306719150 XCVNVCRSEYDMEA-UHFFFAOYSA-N 183.104 0.636 30 20 ACED CC#CCNC(=O)c1cnsn1 306787175 LYECJEXFFQBSST-UHFFFAOYSA-N 181.220 0.291 30 20 ACED N#C[C@]1(C[C@@H](O)CF)CCCN1 307088168 SRMJTKJQTGMZPA-HTQZYQBOSA-N 172.203 0.353 30 20 ACED C[C@H](C#N)C(=O)N1C[C@@H](O)C(C)(C)C1 307486462 CEAPVUWKFLAWLG-HTQZYQBOSA-N 196.250 0.375 30 20 ACED CC(C)(F)C(=O)Nc1[nH]ncc1C#N 307531772 XVRKQFGNXHDZFN-UHFFFAOYSA-N 196.185 0.968 30 20 ACED C=C(Cl)CNC(=O)C(C)(C)CO 307965323 QHPOVUFQYLAVRD-UHFFFAOYSA-N 191.658 0.874 30 20 ACED C[C@@H](C#N)C(=O)NOCC(F)F 307971915 YMLKDYBCJJWRPD-BYPYZUCNSA-N 178.138 0.459 30 20 ACED C#CCSCCNC(=O)NOC 307972858 IKEIIOCPTBNDJU-UHFFFAOYSA-N 188.252 0.213 30 20 ACED C#CC(=O)N1CC(OCC(F)F)C1 308186781 JVKBXBXMPWZQKY-UHFFFAOYSA-N 189.161 0.112 30 20 ACED C=C(C)COC(=O)[C@H]1COCCO1 308334370 MYPNOGAMPSXJOR-MRVPVSSYSA-N 186.207 0.521 30 20 ACED C#C[C@H](CC)NC(=O)[C@H](CC)CO 308369871 PSLHYPVARVZTSI-RKDXNWHRSA-N 183.251 0.533 30 20 ACED C=CCNC(=O)NC[C@H](C)OC 379326653 AGCKAMPBXLIDHS-ZETCQYMHSA-N 172.228 0.507 30 20 ACED C=C[C@@H](C(=O)O)N(C)C[C@@H](C)OC 379342889 HONZAOZVRRVETP-SFYZADRCSA-N 187.239 0.592 30 20 ACED C#C[C@H](C)N(C)CCO[C@H](C)C#N 379389949 MQNDPGDTHDHKCH-VHSXEESVSA-N 180.251 0.869 30 20 ACED C#CCCCC(=O)N(C)CCO 388398619 LFRJXLYAMLVHOQ-UHFFFAOYSA-N 169.224 0.241 30 20 ACED CCCNN=Cc1cnn(C)c1 388495644 JTPHKWMUCPPWDE-UHFFFAOYSA-N 166.228 0.754 30 20 ACED C#CCCOC(=O)[C@@H](C)OC 393640410 UYZRLONDZHPSQQ-SSDOTTSWSA-N 156.181 0.588 30 20 ACED C=CCOC[C@H](CCN)CC(=O)O 536953260 JBSPWJAFXTZFNQ-MRVPVSSYSA-N 187.239 0.629 30 20 ACED C=CCCNC[C@@H](O)CSC 594718231 LJVFDMSORRSAQA-MRVPVSSYSA-N 175.297 0.876 30 20 ACED CN(CCCN)C(=O)NCCCC#N 595264133 JUJGWIAQVJHQCC-UHFFFAOYSA-N 198.270 0.280 30 20 ACED C=C[C@@H](O)C(=O)N1CC=CCC1 613324359 WDUVVPJQEPUPGR-MRVPVSSYSA-N 167.208 0.322 30 20 ACED C=C[C@H](CO)NC[C@H](CC)OC 662168805 VPSUDWKVOOHANN-BDAKNGLRSA-N 173.256 0.548 30 20 ACED C#CC(C)(C)NC(=O)CN(C)C(=O)O 736076476 GUSOIUHHNMSUEC-UHFFFAOYSA-N 198.222 0.124 30 20 ACED C[C@H](C#N)CNC(=O)C(=O)C(C)(C)C 742253802 YFEKDVJNGXGUAG-SSDOTTSWSA-N 196.250 0.877 30 20 ACED C#CCNC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 742710929 QHCJVBBKJCABCU-RKDXNWHRSA-N 192.262 0.917 30 20 ACED C=CCCOC(=O)C1(C(N)=O)CCC1 769120463 PWGBDWSIZFADSI-UHFFFAOYSA-N 197.234 0.761 30 20 ACED C#C[C@H](C)N(C)C(=O)[C@@H]1CCCN1C 769644678 KUZDKSXRSIFNQJ-UWVGGRQHSA-N 194.278 0.561 30 20 ACED C(=NOC[C@H]1CCOC1)c1cnc[nH]1 788037495 WBOYRZPONPQUEL-QMMMGPOBSA-N 195.222 0.797 30 20 ACED C#CCN(C)[C@@H](C)C(=O)N[C@@H](C)CC 792305736 NZMZSFFZEVOFQD-UWVGGRQHSA-N 196.294 0.855 30 20 ACED CC#CC(=O)NCC1(CCOC)CC1 801174764 VEXUPLUABBTBSD-UHFFFAOYSA-N 195.262 0.943 30 20 ACED C=CCOCC(=O)NOCC=C 837046497 LJGVDAPNFIWHFZ-UHFFFAOYSA-N 171.196 0.423 30 20 ACED C#CCNC(=O)N1CC[C@@H](SC)C1 837361926 BMZQNUQWKAZURO-MRVPVSSYSA-N 198.291 0.767 30 20 ACED C#CCNC(=O)C[C@H](C)n1ccnc1 845096468 KACMIWPBCDUCMR-VIFPVBQESA-N 191.234 0.584 30 20 ACED C[C@@H](CCO)N(C)C(=O)C#CC1CC1 846598344 YRXXKUDHFLXTIV-VIFPVBQESA-N 195.262 0.629 30 20 ACED C#C[C@H](NC(=O)[C@@H](O)C1CC1)C(C)C 847115626 MCSMVMPZBHQMFC-UWVGGRQHSA-N 195.262 0.531 30 20 ACED CON=Cc1c(C(=O)O)cnn1C 848404800 PHSJHVRMAZBZSQ-UHFFFAOYSA-N 183.167 0.099 30 20 ACED C=CCNC(=N)NCCc1cn[nH]c1 849029575 WHHHYYUMGRVJTQ-UHFFFAOYSA-N 193.254 0.252 30 20 ACED CC(C)(C#N)CC(=O)N1CC[C@H]1CO 889149105 AJLMARSEHPYFRN-QMMMGPOBSA-N 196.250 0.519 30 20 ACED CCOCCN(C)C[C@H](O)CC#N 930177150 ZWJHMHKAMOTJFS-SECBINFHSA-N 186.255 0.229 30 20 ACED C#C[C@@H](C)N(C)C[C@@H]1CN(C)C(=O)O1 1117746237 SYWNPTFSJVHOLZ-RKDXNWHRSA-N 196.250 0.391 30 20 ACED C=C(CC)C(=O)N(CC)CC(=O)NC 1123658227 DWICLHLNWDGFKU-UHFFFAOYSA-N 198.266 0.547 30 20 ACED O=C(C#CC1CC1)OCc1nc[nH]n1 1327979545 UVOKVFOEOPNMLE-UHFFFAOYSA-N 191.190 0.261 30 20 ACED Cc1nc(C)c(CC(=O)NO)s1 1334384252 LYGOVFOYTVDEJB-UHFFFAOYSA-N 186.236 0.808 30 20 ACED N#C[C@H](OC(=O)CCC(N)=O)C1CC1 1342725048 UTPCDNFUIBUHQL-ZETCQYMHSA-N 196.206 0.097 30 20 ACED CO[C@H]1CCC[C@@H]1C(=O)NCC#N 1353553478 HUVUFQDJSNODEW-YUMQZZPRSA-N 182.223 0.441 30 20 ACED C=C(Cl)CN1CCN[C@H]2C[C@@H]21 1574860463 OKUWFDJNURAOPG-YUMQZZPRSA-N 172.659 0.785 30 20 ACED Cc1ccc(C=NNCC(=O)O)[nH]1 1776078202 UCTKATMASMTELF-UHFFFAOYSA-N 181.195 0.331 30 20 ACED C#CC1[C@@H]2COC[C@@H]12 1857776283 PXHPTQXRTGMFMH-BQBZGAKWSA-N 108.140 0.512 30 20 ACED COC(=O)[C@]12C3C4[C@H]1[C@@H]1[C@H]2C3C41C=O 1857790851 QVULKFAPHFCDQB-PACXDZJFSA-N 190.198 0.096 30 20 ACED C#CCNC(=O)c1cccc(CN)c1 36379923 VEDFHJICKSZISL-UHFFFAOYSA-N 188.230 0.508 30 20 ACED C=CCCCN(CCO)CCO 70595445 SVRVLHVVUPDCGW-UHFFFAOYSA-N 173.256 0.239 30 20 ACED C#CCNC(=O)[C@H]1CCCC[C@H]1N 82920314 GFUOALSYNREZGX-DTWKUNHWSA-N 180.251 0.253 30 20 ACED C#CCN(CC)C(=O)C1CC1 108911836 UUSIBVROTJXZNM-UHFFFAOYSA-N 151.209 0.878 30 20 ACED C=C(Cl)CNC(=O)COCC 124628152 LMPFZTRETCOCCD-UHFFFAOYSA-N 177.631 0.892 30 20 ACED C=C(C)CNC(=O)c1ccon1 160404696 VRZRRQOOTIDGAZ-UHFFFAOYSA-N 166.180 0.981 30 20 ACED CC(C)(C#N)CNC(=O)c1cc[nH]n1 163788470 IBFZGJAYVXCIKG-UHFFFAOYSA-N 192.222 0.689 30 20 ACED CCCOCC(=O)NC[C@H](C)C#N 225759940 UTSKYYDGUPYKKD-MRVPVSSYSA-N 184.239 0.689 30 20 ACED C#CCCCN[C@H](C(=O)OC)C1CC1 227770680 ZVBGQVHRHOBYEG-JTQLQIEISA-N 195.262 0.941 30 20 ACED C=C[C@@H]1OCC[C@@H]1N 238854064 MNJYWTHQNUBTIC-WDSKDSINSA-N 113.160 0.289 30 20 ACED CCN1CCC(C=O)(OC)CC1 257903805 PIAINAUCRFCQDQ-UHFFFAOYSA-N 171.240 0.686 30 20 ACED C#C[C@H](NC[C@@H](C)O)C(C)C 300952266 PWJSHTHCZQUVCN-BDAKNGLRSA-N 155.241 0.615 30 20 ACED CC(C)n1nccc1C(=O)NO 306452403 VOCGQTAPKBYWGC-UHFFFAOYSA-N 169.184 0.583 30 20 ACED C#CCNC(=O)[C@](C)(O)C(C)C 306496039 REUIYBWMNSDTIQ-SECBINFHSA-N 169.224 0.143 30 20 ACED CCC#C[C@@H](C)N1CCNC(=O)C1 306676273 VSJSQWJRUZPDEE-SECBINFHSA-N 180.251 0.220 30 20 ACED C#CC(=O)N1CCOC[C@H]1CC 306975591 ZLIHLQBLPJIFTO-MRVPVSSYSA-N 167.208 0.257 30 20 ACED CNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1C 307205536 GQYFBGNMTBSVFY-FSDSQADBSA-N 180.207 0.097 30 20 ACED Cn1ncnc1CC(C)(C)C=O 307446742 XCSLGTADSUCOJP-UHFFFAOYSA-N 167.212 0.583 30 20 ACED NC(=O)NCC#Cc1ccccc1 307611510 IXNXMPBXYXCPOQ-UHFFFAOYSA-N 174.203 0.706 30 20 ACED C=CCCCN1CCCS1(=O)=O 307965626 QUEBSAZZAOYNOD-UHFFFAOYSA-N 189.280 0.988 30 20 ACED CC[C@H](OC)C(=O)N[C@@H](C)CC#N 308218965 KHTDWZGTACIIJQ-YUMQZZPRSA-N 184.239 0.830 30 20 ACED C=C[C@H](CO)N[C@@H](COC)C(C)C 308419822 OKWBEEIGWCPWMP-ZJUUUORDSA-N 187.283 0.794 30 20 ACED COCC#CCN[C@H](CCO)C1CC1 308576762 DUOZYWGVOXGJMQ-LLVKDONJSA-N 197.278 0.387 30 20 ACED C=C(C)CNC(=O)NC1[C@@H]2CNC[C@@H]12 335297426 AXNXJHXRYONTQJ-HTQZYQBOSA-N 195.266 0.080 30 20 ACED C=CCNC(=O)NCCC#CC 379320209 VGJSZJKLJAZXHI-UHFFFAOYSA-N 166.224 0.885 30 20 ACED C#CCNC(=S)N(CC#C)C1CC1 388349435 NVHGUTVRBCBDHV-UHFFFAOYSA-N 192.287 0.592 30 20 ACED C#CCN(CC)[C@@H](CC)C(=O)OC 388788623 LMMHCIOMNZSTSW-VIFPVBQESA-N 183.251 0.893 30 20 ACED C#C[C@H](C)N(C)C(=O)NCCC#N 388813839 RXFNRDWLZWXNBO-QMMMGPOBSA-N 179.223 0.563 30 20 ACED C=C[C@H](CO)N[C@H](C)Cn1cccn1 389266790 JTWQJBJPHIELAP-NXEZZACHSA-N 195.266 0.408 30 20 ACED CNCCCc1cnn(CC#N)c1 575623530 XSPSZGKBJNAFAS-UHFFFAOYSA-N 178.239 0.559 30 20 ACED C[C@H](O)C#Cc1cn[nH]c1 585143973 WMUOHSQQRIFZMO-LURJTMIESA-N 136.154 0.142 30 20 ACED N#Cc1nccnc1N1CC(F)(F)C1 585380290 LQMYROFMSTVHDS-UHFFFAOYSA-N 196.160 0.804 30 20 ACED C[C@H](O)CCN1CC[C@@](F)(C#N)C1 590723884 LBMWUKHDPWCEHK-DTWKUNHWSA-N 186.230 0.695 30 20 ACED C[C@@H]1CCCN(CC#N)[C@@H]1CCO 595691433 AZUREYXIIRLRAZ-NXEZZACHSA-N 182.267 0.993 30 20 ACED CC#CC(=O)N1CCC[C@H](C#N)C1 606253785 MUBXLYHFKQWHMC-SECBINFHSA-N 176.219 0.772 30 20 ACED C[C@@H](C(=O)N(C)C[C@@H](C)C#N)N(C)C 610560025 OVSAWOFMNUPBFI-IUCAKERBSA-N 197.282 0.555 30 20 ACED N#CCCCNC(=O)COCC1CC1 612061020 SQNGXYJYVQDGGT-UHFFFAOYSA-N 196.250 0.833 30 20 ACED C=C[C@](C)(O)CC(=O)NC1(C#N)CC1 619582584 OAGYYUATCZUBMH-VIFPVBQESA-N 194.234 0.486 30 20 ACED C=C[C@@H]1OCC[C@H]1NCC1(C)COC1 660722658 MDRHDOBXIIBVDU-ZJUUUORDSA-N 197.278 0.956 30 20 ACED C#CC[C@@H](CO)Nc1ncccn1 717777105 QAICNLFENOVSOU-QMMMGPOBSA-N 177.207 0.273 30 20 ACED CC#CCCCC(=O)O[C@@H](C)C(N)=O 767667093 PQLIJBMINHQIDC-QMMMGPOBSA-N 197.234 0.597 30 20 ACED C#CCCCCN1C(=O)N[C@@H](C)C1=O 777654754 BRDFHGJKSWFPLL-QMMMGPOBSA-N 194.234 0.730 30 20 ACED C#CCONC(=O)CCc1ncc[nH]1 812785785 JVVHSTCLGOMOEB-UHFFFAOYSA-N 193.206 0.023 30 20 ACED C=C(CO)C(=O)NOCCC1CC1 817383878 XFHGOBNXUHMEBW-UHFFFAOYSA-N 185.223 0.383 30 20 ACED C#CCN(C(=O)N[C@@H](C)C#C)C1CC1 820399036 BHXDNUYTWRZPTA-VIFPVBQESA-N 190.246 0.815 30 20 ACED CC[C@@H](C#N)NC(=O)[C@@H](C)CC(=O)O 828586912 LDKAGXVHHXTXTP-BQBZGAKWSA-N 198.222 0.516 30 20 ACED C#CC[C@@H](CO)NC(=O)c1cc[nH]c1 854545219 CWFHFNMXDAAKLF-VIFPVBQESA-N 192.218 0.129 30 20 ACED C#C[C@@H](C)N[C@H](C)COC(C)=O 894383085 IUGPOKTZXRDEJJ-HTQZYQBOSA-N 169.224 0.549 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0.097 30 20 ACED C=C(C)CN1CCN(C)C(=O)[C@@H]1C 306677064 XZBSJDXIUKNIBT-VIFPVBQESA-N 182.267 0.725 30 20 ACED C/N=C(/NC)NCc1ccoc1 306769489 AZSBRJSNSBQBSL-UHFFFAOYSA-N 167.212 0.574 30 20 ACED C#CC(=O)NC[C@H](C)COC 307732966 QVWQMXIBRKTFRX-ZETCQYMHSA-N 155.197 0.018 30 20 ACED COCCON=Cc1ncc[nH]1 307996173 WJCUCWMLDNOOTJ-UHFFFAOYSA-N 169.184 0.407 30 20 ACED CC[C@@H](CO)NCCO[C@@H](C)C#N 308134263 HGUXAHQHKXAEMB-IUCAKERBSA-N 186.255 0.276 30 20 ACED C[C@@H](CO)NN=Cc1cccnc1 308221509 CHEWUVANILURIA-QMMMGPOBSA-N 179.223 0.386 30 20 ACED S=C(NN=C1CCOC1)NC1CC1 308378442 OVFWEACPAJBVBJ-UHFFFAOYSA-N 199.279 0.389 30 20 ACED C=CCCCC(=O)NCC(=O)OC 308499294 VSXKXAHSXLJTRJ-UHFFFAOYSA-N 185.223 0.632 30 20 ACED C#CCNC(=O)CNC1(C2CC2)CC1 308515601 NIZABWIZXHSURA-UHFFFAOYSA-N 192.262 0.268 30 20 ACED COCCN(CC#N)C(=O)[C@@H]1C[C@H]1C 317152107 LMRWUUAGPFUMOM-RKDXNWHRSA-N 196.250 0.641 30 20 ACED C=CCN(CCOC)[C@@H](C)C(=O)O 382478033 KSIIIFXKRCFKPY-QMMMGPOBSA-N 187.239 0.594 30 20 ACED CCO[C@@H](C)C(=O)OCC#N 388103762 VJKFGZACVYGLIH-LURJTMIESA-N 157.169 0.478 30 20 ACED Cc1ncc(C=NOCC(N)=O)s1 388369429 WPRJWXDMHFMVPT-UHFFFAOYSA-N 199.235 0.287 30 20 ACED CO[C@H](C)[C@@H](C)NC(=O)[C@H](C)C#N 388582784 GCEZINODGIDINA-BWZBUEFSSA-N 184.239 0.686 30 20 ACED C=C(C)CNCCNC(=O)CC 393117990 OSWBJNUYPZHHCW-UHFFFAOYSA-N 170.256 0.678 30 20 ACED COC[C@@H](C)NN=Cc1ccc[nH]1 393716708 UTXRQPWGMFCWKM-MRVPVSSYSA-N 181.239 0.973 30 20 ACED C=C[C@H](O)C(=O)Nc1ncsc1C 529544933 REWQCDNRBHYSKN-LURJTMIESA-N 198.247 0.937 30 20 ACED C[C@H](O)C#Cc1ccc(N)cn1 585144209 FMNYJHIPZYKOCW-ZETCQYMHSA-N 162.192 0.396 30 20 ACED N#CCCCC(=O)N1CCOC1 597725599 YSTQFXNKFCUQBX-UHFFFAOYSA-N 168.196 0.497 30 20 ACED CO[C@@]1(C)C[C@H]1NC(=O)C(C)(C)C#N 598461567 SXPLLEXAVGSIID-XCBNKYQSSA-N 196.250 0.830 30 20 ACED N#CCn1cc(CN2CCCC2)nn1 600972779 NJROHXSCDHCJMT-UHFFFAOYSA-N 191.238 0.397 30 20 ACED C=C[C@@H](O)C(=O)N[C@@H]1C[C@H]1C(C)C 616229691 UFWNKGOINNTWLH-DJLDLDEBSA-N 183.251 0.694 30 20 ACED C=C[C@](C)(O)CC(=O)N(C)CCC#N 619259388 MKZJDSIOPALNDB-JTQLQIEISA-N 196.250 0.686 30 20 ACED CCOCCC(=O)N1CC(C)(C#N)C1 619510436 YDTPLEWWGYIPRA-UHFFFAOYSA-N 196.250 0.785 30 20 ACED C#C[C@H]1CC[C@@H]1CO 669370333 HWRCSRPRXDVJNA-NKWVEPMBSA-N 110.156 0.638 30 20 ACED C=C[C@H](C)NC(=O)CNC(=O)C1CC1 674952008 MQJUGIXRAXNORZ-ZETCQYMHSA-N 196.250 0.203 30 20 ACED C=CC[C@@H](C)NC(=O)c1cnnn1C 684970522 QAAHFSNWTMPETI-SSDOTTSWSA-N 194.238 0.510 30 20 ACED C#C[C@@H](NC1=NC[C@H](C)N1)C(C)(C)C 702235630 BNLPMKFULCZECW-DTWKUNHWSA-N 193.294 0.972 30 20 ACED C[C@H](C#N)C(=O)N(C)C[C@H]1C[C@@H](O)C1 703886154 ZYZZCBAHUAPOBQ-HLTSFMKQSA-N 196.250 0.375 30 20 ACED C#CC(=O)N[C@@H]1CCCC12OCCO2 716043987 ZREGFIWRWQEFSQ-MRVPVSSYSA-N 195.218 0.031 30 20 ACED C=C(C)COC(=O)CCNC(=O)O 736094572 NJVAXUOJEKLMIP-UHFFFAOYSA-N 187.195 0.763 30 20 ACED COC(=O)[C@@H](C)OC(=O)C(C)(C)C#N 762793382 AQVIEECQSIKZIH-ZCFIWIBFSA-N 199.206 0.641 30 20 ACED C#CCCOC(=O)c1ccc(CO)o1 765487154 AZNISOXUMYQSKK-UHFFFAOYSA-N 194.186 0.952 30 20 ACED C#C[C@H](CCC)NC(=O)[C@H](O)C(C)C 803190554 IOIMWTJAUYVZDU-NXEZZACHSA-N 197.278 0.921 30 20 ACED C=CCOCCNC(=O)/C=C\OCC 841175509 JGSZUTGHPMSTNE-YVMONPNESA-N 199.250 0.855 30 20 ACED C=C[C@H](C)ONC(=O)[C@H](CC)CO 846548707 LOYKPNRSOSKNSR-JGVFFNPUSA-N 187.239 0.627 30 20 ACED C=C(CC)CNC(=N)NCCOC 849038045 HFGKLFQRSHJTIH-UHFFFAOYSA-N 185.271 0.713 30 20 ACED C#CCSCC(=O)NCC(F)F 889304764 CCYLUJPFULDKGV-UHFFFAOYSA-N 193.218 0.734 30 20 ACED C#CCSCC(=O)N[C@@H]1CCOC1 889679399 WUVDILBPGJFYGT-MRVPVSSYSA-N 199.275 0.258 30 20 ACED C#CC(=O)N[C@H](C)[C@@](C)(OC)C1CC1 899162041 USOUQJKGBISODN-LDYMZIIASA-N 195.262 0.939 30 20 ACED C#CCNC(=O)[C@@H](C)[C@@H](O)CC 899975555 LVWMJIZMWWMRAD-YUMQZZPRSA-N 169.224 0.143 30 20 ACED N#C[C@H]1CCCN(C[C@@H]2CCNC2)C1 903563869 LVERZKPVFYKNIB-GHMZBOCLSA-N 193.294 0.831 30 20 ACED C=CCCN(C)C(=O)[C@@H]1C[C@@H]1C(N)=O 907635044 GUWWMGQLSNRFFK-JGVFFNPUSA-N 196.250 0.142 30 20 ACED CC[C@@H](CC#N)NCC[N+](=O)[O-] 930693940 WFCRIWZQRRDOCW-ZETCQYMHSA-N 171.200 0.545 30 20 ACED C#CC1(O)CN(CCOCC2CC2)C1 1351754556 BLCQKKUYDLNKPY-UHFFFAOYSA-N 195.262 0.093 30 20 ACED C=C[C@@H]1OCC[C@H]1N[C@H](C)CC(=O)O 1588478581 PORCJMHHWYPPGZ-HLTSFMKQSA-N 199.250 0.783 30 20 ACED N#CCC(=O)N1CC[C@@H](CCCO)C1 1639065619 DVIHPQUXRXJNGL-SECBINFHSA-N 196.250 0.521 30 20 ACED CC[C@H](C#N)NC(=O)[C@H]1CCCO1 40351725 VZGHXMJQPUMPDM-HTQZYQBOSA-N 182.223 0.584 30 20 ACED C[C@H](C#N)C(=O)N1CCOCC1 44808677 SEQIQOFAWRFPSI-SSDOTTSWSA-N 168.196 0.005 30 20 ACED Cc1n[nH]cc1CNC(=O)[C@@H](C)C#N 44826188 NSYZIDKKUGZUPQ-LURJTMIESA-N 192.222 0.494 30 20 ACED C=CCN1CC[C@@](C)(C(=O)O)C1 62935751 DIPFTPUUUUSXDV-SECBINFHSA-N 169.224 0.969 30 20 ACED CCn1nccc1CC=O 69026741 IBJSKKQFZUUHJC-UHFFFAOYSA-N 138.170 0.644 30 20 ACED C=CCN(CCOC)CCC(=O)O 71737025 PGSSXZNRDACTHQ-UHFFFAOYSA-N 187.239 0.596 30 20 ACED C=C[C@H](C)NC(=O)c1cn[nH]c1 130682424 ZWUYNGGBDHYSPX-LURJTMIESA-N 165.196 0.714 30 20 ACED C#CCCn1nc(OC)ccc1=O 157667967 YNQCONRFGIAOHN-UHFFFAOYSA-N 178.191 0.275 30 20 ACED CC(C)C1(C(=O)NO)CC1 203093269 LVNYNPAILXIHMO-UHFFFAOYSA-N 143.186 0.928 30 20 ACED C=CCCCN(C)CCOCCN 220272846 WXDWXODMWLXHQE-UHFFFAOYSA-N 186.299 0.860 30 20 ACED Cc1cnc(C(=O)N[C@@H](C)C#N)cn1 223902772 DZDWMJUBQYKQOD-LURJTMIESA-N 190.206 0.427 30 20 ACED CC#CC(=O)N[C@@H](C)c1nnc[nH]1 232624894 YYPPPWNXTDOECA-LURJTMIESA-N 178.195 0.005 30 20 ACED N#Cc1ncc(OCC(F)F)cn1 306410785 JLZAJBOGHLSPCL-UHFFFAOYSA-N 185.133 0.992 30 20 ACED CC#CCNC(=O)c1ccccn1 306413921 NYSPOTAWUASFTL-UHFFFAOYSA-N 174.203 0.835 30 20 ACED CO[C@@H](C)CNc1ccc(C#N)nn1 306415972 QMIUVRZMYQLZKJ-ZETCQYMHSA-N 192.222 0.795 30 20 ACED C=CCN1CC[C@](F)(CO)C1 306461403 ITDNIENWWKMRTE-MRVPVSSYSA-N 159.204 0.579 30 20 ACED C#CC(=O)C[C@H]1CC[C@@H](N)C1 306489081 LQHTZGVXGYUSQU-JGVFFNPUSA-N 151.209 0.706 30 20 ACED N#Cc1ncccc1[S@](=O)O 306840812 DZGUSYDIABZLGT-UHFFFAOYSA-N 168.177 0.534 30 20 ACED C#CCN1C[C@@H](C)C[C@H](C(=O)O)C1 306965160 KAMZLRXBNHJOSG-IUCAKERBSA-N 181.235 0.662 30 20 ACED C#CCNC(=O)N[C@H](C)C1CC1 307267082 DLEUPWGKTPWJAL-SSDOTTSWSA-N 166.224 0.717 30 20 ACED C[C@@H](C#N)CNC(=O)C1=COCC1 307681039 PKUIHJIBUFVOQQ-ZETCQYMHSA-N 180.207 0.566 30 20 ACED COCCC(C)(C)C(=O)NO 307695250 ZZOUZWOWFAWHFQ-UHFFFAOYSA-N 161.201 0.555 30 20 ACED CCO[C@@H](C)C(=O)N[C@@H](C)C#N 307982586 PRISDARVSFUMGV-BQBZGAKWSA-N 170.212 0.440 30 20 ACED Cc1c[nH]nc1CNCCC#N 308152329 NESGGZYOPQDECK-UHFFFAOYSA-N 164.212 0.721 30 20 ACED CCN(CC#N)C(=O)C1(C)COC1 308221796 LMQYKCXSQMSSIY-UHFFFAOYSA-N 182.223 0.395 30 20 ACED C1COC[C@@H](NN=C2CCOC2)C1 308273920 UOMGDXKWRQZCRJ-QMMMGPOBSA-N 184.239 0.531 30 20 ACED C[C@]1(C=NNC(=N)N)CCCS1 379310941 DJBHZPYTUHAVLB-SSDOTTSWSA-N 186.284 0.741 30 20 ACED CC#CCCNC(=O)N(C)CCO 388787389 LBZGCQNLASGULF-UHFFFAOYSA-N 184.239 0.034 30 20 ACED C[C@@H]1SCCC1=NOCC(N)=O 393912152 ORYGOUAXLHFOFF-YFKPBYRVSA-N 188.252 0.370 30 20 ACED C=CCN(CCC#N)CC(=O)NCC 590003078 LUQCOAWKDZDBRP-UHFFFAOYSA-N 195.266 0.524 30 20 ACED C=CCN(CCC#N)C(=O)[C@H](C)O 590408998 MCFDHDPBMMURJX-QMMMGPOBSA-N 182.223 0.295 30 20 ACED CNC(=O)CN(C)[C@@H](C)CCC#N 593000524 QFCRHZUEBNEMPI-QMMMGPOBSA-N 183.255 0.356 30 20 ACED C=CCNC(=O)CNC(=O)[C@@H]1C[C@H]1C 642199060 AZNCFRGAQBRYST-HTQZYQBOSA-N 196.250 0.061 30 20 ACED C=CCn1cc(CNC(=O)CC)nn1 644785512 KHRLUUBLDUPPLL-UHFFFAOYSA-N 194.238 0.490 30 20 ACED C=CCCNC(=O)NC[C@H](O)CC 665940439 BTZKPYCHQAKVOR-MRVPVSSYSA-N 186.255 0.633 30 20 ACED CC#CCNC(=O)C1(C)CCOCC1 677812607 BZTNOOAWVRROLO-UHFFFAOYSA-N 195.262 0.943 30 20 ACED COCC#CCN1CC[C@H]([C@H](C)O)C1 679539344 DCZCBMYUAIXFGS-QWRGUYRKSA-N 197.278 0.339 30 20 ACED C=C(C)CN(C)[C@H](C)c1nnnn1C 682533115 UFNJEXNAXBIBOF-MRVPVSSYSA-N 195.270 0.779 30 20 ACED C=CCNC(=O)[C@@H]1CCCN1C1CC1 683812906 PRJNLYZRDSJDPD-JTQLQIEISA-N 194.278 0.915 30 20 ACED C=CCCN(C)C(=O)CCCC(N)=O 683875447 VTLMNIFMGYRCPJ-UHFFFAOYSA-N 198.266 0.677 30 20 ACED C=C[C@H](N[C@H]1C[C@H](OC)C1)C(=O)O 706548082 VDGPALGAUAXLHK-FXQIFTODSA-N 185.223 0.393 30 20 ACED C#CCCCNC(=O)[C@@H]1CCCN1C 742789150 ZRWPIUHXGCJSRV-JTQLQIEISA-N 194.278 0.610 30 20 ACED C#C[C@H](CC)NC(=O)[C@H](CC)N(C)C 754390095 OYZDXPAUQBUQIS-ZJUUUORDSA-N 196.294 0.855 30 20 ACED C#CCNC(=O)N[C@@](C)(CO)C1CC1 756335231 GSLMGDOYDKLMPG-JTQLQIEISA-N 196.250 0.080 30 20 ACED CC1(C(=O)OCC2(C#N)CC2)COC1 782391904 IPPSOUMVOXQCSL-UHFFFAOYSA-N 195.218 0.870 30 20 ACED C[C@@H](C#N)OC(=O)C1CCC(O)CC1 795646442 VTAFGACRFXUKRG-UEJVZZJDSA-N 197.234 0.993 30 20 ACED C#CCOCCN(C)Cc1cnc[nH]1 796450696 QSUDDOLLVQMUFJ-UHFFFAOYSA-N 193.250 0.491 30 20 ACED COCC(=NNc1nc[nH]n1)C1CC1 807997821 CWMKMVQMPJJLII-UHFFFAOYSA-N 195.226 0.629 30 20 ACED C#C[C@@H](C)N(C)C(=O)c1cncn1C 809799809 WLJWQDUKTXVCRW-MRVPVSSYSA-N 191.234 0.514 30 20 ACED CC(C)(C)[C@H](O)C(=O)N1CC(C#N)C1 817546461 IAUVPOHEGWCSNB-MRVPVSSYSA-N 196.250 0.375 30 20 ACED C#CCNC(=O)[C@@H](C)OC(=O)C(C)C 821560105 HUSHVGGTCLFHRG-MRVPVSSYSA-N 197.234 0.324 30 20 ACED CC(C)C#CC(=O)N1C[C@@H](C)[C@@H](O)C1 831551689 HZWLMMUAYVONIR-ZJUUUORDSA-N 195.262 0.485 30 20 ACED CC[C@H](C)CC=NOCC(N)=O 834969966 ZWDOQEHZDQPHMC-ZETCQYMHSA-N 172.228 0.910 30 20 ACED C#CC[C@H](NC[C@H]1C[C@H]1C)C(=O)OC 839169387 SHACCEHKVQCIDL-BBBLOLIVSA-N 195.262 0.797 30 20 ACED CCCONC(=O)c1cc(C#N)c[nH]1 843313226 CZSQGLVQQHKBSH-UHFFFAOYSA-N 193.206 0.958 30 20 ACED C=CCCOCCNC(=N)N1CCC1 849015029 MPZIVHWWBGIHKE-UHFFFAOYSA-N 197.282 0.809 30 20 ACED CC[C@H](CO)N/C(=N/C)NC1CC1 849016792 KARRENHKJYVHKF-SSDOTTSWSA-N 185.271 0.085 30 20 ACED C#CC[C@@H](CO)NC(=O)CCCC#N 854542849 UWVTZVLYAQLNSX-VIFPVBQESA-N 194.234 0.181 30 20 ACED C=CCCONC(=O)c1cnc[nH]1 856032372 NBJRTAGGKQQBIH-UHFFFAOYSA-N 181.195 0.647 30 20 ACED C#C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1C(=O)O 907818543 KKFHGGAXAXHJKZ-BWZBUEFSSA-N 195.218 0.187 30 20 ACED C#CCCCC(=O)N[C@H](CC)C(=O)O 909123168 ONXFMOGOFSTGPA-MRVPVSSYSA-N 197.234 0.769 30 20 ACED C#CCCOC(=O)N[C@@H]1COC[C@@H]1C 921499438 YUWAZFJLUCKETE-DTWKUNHWSA-N 197.234 0.771 30 20 ACED C#CC(=O)N[C@@H](CC=C)C(=O)OCC 1119959506 MPFWLQLSVHWJOW-QMMMGPOBSA-N 195.218 0.244 30 20 ACED CC[C@@H](C#N)NC(=O)[C@@H]1C[C@@H]1F 1121103509 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1680426162 SZDKXZDEZULTSH-UHFFFAOYSA-N 192.178 0.452 30 20 ACED CC#CCN[C@@H](C)CCNC(=O)CC 1690826495 HTBGBOHJCYEXJS-JTQLQIEISA-N 196.294 0.904 30 20 ACED CN(C)C(=O)N[C@H](CCC#N)C(=O)O 1777023369 YQEOGOSHVRXZFN-ZCFIWIBFSA-N 199.210 0.015 30 20 ACED C[C@H](O)CNCC(C)(C)C#N 17619787 UQOLJDGKEVNABF-ZETCQYMHSA-N 156.229 0.507 30 20 ACED N#CCCCN(CCO)C1CC1 42253585 QUWXBGFGTFMVSH-UHFFFAOYSA-N 168.240 0.747 30 20 ACED COC[C@H](C)NC(=O)[C@H](C)C#N 44809350 ZFARQDYWULOMLZ-RQJHMYQMSA-N 170.212 0.297 30 20 ACED CCCNC(=O)[C@@H](C)N[C@H](C)CC#N 49203715 FNANHWQJVAYRGZ-RKDXNWHRSA-N 197.282 0.793 30 20 ACED C#C[C@@H](NCC)[C@@H]1CCCO1 83947735 RQDPNALJBSKJMZ-BDAKNGLRSA-N 153.225 0.777 30 20 ACED Cc1cc(C)nc(C#CCO)n1 196197415 GDWSLVPYJOANGF-UHFFFAOYSA-N 162.192 0.437 30 20 ACED C#CCCCCC(=O)Nc1nnc[nH]1 222862632 QMDWLNGIABUAOV-UHFFFAOYSA-N 192.222 0.937 30 20 ACED C[C@@H](O)CN1CCC(C)(C#N)CC1 226318773 UBDKSGFNQSOTLQ-SECBINFHSA-N 182.267 0.993 30 20 ACED C=C[C@H](C)NC(=O)CNC(C)C 229222802 LILKFCSFJHIVTQ-QMMMGPOBSA-N 170.256 0.675 30 20 ACED C#C[C@@H](CC)N[C@H](C=C)C(=O)O 300770511 AVQAAWYGZNLKPS-JGVFFNPUSA-N 167.208 0.627 30 20 ACED C[C@H]1CCN(CC#N)[C@H](C(N)=O)C1 306229727 ISQZCVKGFJKDJX-YUMQZZPRSA-N 181.239 0.096 30 20 ACED C#CC(=O)N[C@H](C)[C@H]1CCCOC1 306291041 RUXFMBWJSUHTLO-BDAKNGLRSA-N 181.235 0.551 30 20 ACED C#CC(=O)N1CCN(C)[C@@H](C)[C@H]1C 306428387 MHWNZQRTFWWTKO-DTWKUNHWSA-N 180.251 0.171 30 20 ACED COC(=O)CN1CC[C@](F)(C#N)C1 306765527 CIUAEGYRIRWGNC-QMMMGPOBSA-N 186.186 0.097 30 20 ACED C#CCNC(=O)Nc1nnc(C)s1 307512464 PPDPXRZDWIZQRM-UHFFFAOYSA-N 196.235 0.601 30 20 ACED C=CCCN(C)[C@H](C)CN 307652345 SPGVCGIWXZNVLF-MRVPVSSYSA-N 142.246 0.842 30 20 ACED CC(CCO)=NNCC(C)C 307909247 VBIIETXTECBSRB-UHFFFAOYSA-N 158.245 0.990 30 20 ACED C=CCNN=Cc1cnccn1 307972627 ZHWIDEGHAMNKGU-UHFFFAOYSA-N 162.196 0.586 30 20 ACED CC[C@@H](CO)NCCO[C@H](C)C#N 308134261 HGUXAHQHKXAEMB-BDAKNGLRSA-N 186.255 0.276 30 20 ACED COCC(C)=NNC1CCOCC1 308222387 DBFPCQFQYOWVEM-UHFFFAOYSA-N 186.255 0.777 30 20 ACED CC1=CC(=NOCC(N)=O)CCC1 308311018 RJKZMDLIAUSGIR-UHFFFAOYSA-N 182.223 0.975 30 20 ACED C#CCN[C@@H](C)c1nnnn1C1CC1 308673361 VNWDVBXFZSKDFJ-ZETCQYMHSA-N 191.238 0.292 30 20 ACED N#CCCNC(=O)NCCCF 379339028 VEAOAMHIZVNWOX-UHFFFAOYSA-N 173.191 0.559 30 20 ACED C#C[C@](C)(CC)NC[C@](C)(O)C(=O)O 384171552 NAPCCAWOUZDMBA-ZJUUUORDSA-N 199.250 0.214 30 20 ACED CN(CCCCC#N)CCC(N)=O 388638234 NNKXFXUBBWEXRI-UHFFFAOYSA-N 183.255 0.487 30 20 ACED C=C(CC)CN1C[C@@H](O)[C@H](OC)C1 395484690 MBACRDQAPNYEOH-NXEZZACHSA-N 185.267 0.644 30 20 ACED C#CCn1nc2c(c1CN)CCCC2 409439166 OBQYTZXWWGUDAO-UHFFFAOYSA-N 189.262 0.854 30 20 ACED NCC#Cc1csc(C=O)c1 585144859 JXEQOAXHJZRMTK-UHFFFAOYSA-N 165.217 0.871 30 20 ACED CC(C)[C@H](O)C(=O)N(C)C[C@H](C)C#N 589833430 BKYMVJDCFPZNPC-BDAKNGLRSA-N 198.266 0.621 30 20 ACED C=C[C@@](C)(O)C(=O)N[C@@H](CC)CC#N 597508437 RGNFTRQWVMACAU-WCBMZHEXSA-N 196.250 0.732 30 20 ACED CCC(O)(CC)CN(C)C(=O)CC#N 600765614 DJLPSGXNSZGRSU-UHFFFAOYSA-N 198.266 0.910 30 20 ACED C[C@H](C#N)CNC(=O)NC[C@@H](C)CO 610697861 AWRCAYZKABPOFT-HTQZYQBOSA-N 199.254 0.074 30 20 ACED COCCN(C)C(=O)NC[C@H](C)C#N 611634973 ARNLIQDAXTVSJZ-MRVPVSSYSA-N 199.254 0.434 30 20 ACED C=C[C@](C)(CC)C(=O)NCC(=O)OC 615423296 RUAFJHNEFNTVDN-SNVBAGLBSA-N 199.250 0.878 30 20 ACED CC#CCCCC(=O)NCC#CCO 646128032 ZCIWPTSJHATWCA-UHFFFAOYSA-N 193.246 0.292 30 20 ACED C=CCCCCNC(=O)N[C@H](C)CN 669563027 XNUDXQZXSCFZHN-SECBINFHSA-N 199.298 0.989 30 20 ACED C#CCNC(=O)CN1CC[C@H](CF)C1 711504768 XQPJSKGRWXVGBK-SECBINFHSA-N 198.241 0.027 30 20 ACED CC#CC(=O)NC[C@@H](C)N(C)C1CC1 764479471 MKCWFTPWQGCAEX-SECBINFHSA-N 194.278 0.609 30 20 ACED CC(C)Oc1ncccc1C(=O)NO 806397659 XLTSAMGKEONOJX-UHFFFAOYSA-N 196.206 0.988 30 20 ACED C=C[C@@H](O)C(=O)OCc1cc(C)on1 814551849 XSUQWHCMRGPCNL-MRVPVSSYSA-N 197.190 0.573 30 20 ACED CC#CCN(C)C(=O)CC1OCCO1 819249610 RZLQUYBECGIRCP-UHFFFAOYSA-N 197.234 0.231 30 20 ACED C#CC(=O)N[C@@H](C)[C@H](O)C(F)(F)F 819562226 LNSHPADZYLKUAU-NJGYIYPDSA-N 195.140 0.048 30 20 ACED C[C@H](C#N)COC(=O)[C@@H]1C[C@@H]1C(=O)O 825966776 NAYANKGMIGWGGI-DSYKOEDSSA-N 197.190 0.410 30 20 ACED C=C(Cl)CNC(=O)[C@H](O)C1CC1 828213400 IAGTVIUNGOWEOJ-SSDOTTSWSA-N 189.642 0.626 30 20 ACED C#C[C@@H](C)N(C)C(=O)Cc1ncc[nH]1 834547908 MPYIERGXNWILGB-MRVPVSSYSA-N 191.234 0.432 30 20 ACED Cn1nccc1C=NNCC(C)(C)O 863140070 ACTSUPVYPGMZBH-UHFFFAOYSA-N 196.254 0.115 30 20 ACED C=C[C@@](C)(O)C(=O)N[C@@H]1CC12CCC2 874777018 IEFUSJRICFXIAI-PSASIEDQSA-N 195.262 0.982 30 20 ACED C=CCCCONC(=N)CO 883011477 WUFMZOGFXPQUEI-UHFFFAOYSA-N 158.201 0.443 30 20 ACED C=CC1(OC(=O)[C@H]2COCCO2)CC1 893365109 GYCKYWIQEISFLU-MRVPVSSYSA-N 198.218 0.664 30 20 ACED C[C@H](CC(N)=O)NCC1(C#N)CCC1 903032094 PPQVGJREDFPXQN-MRVPVSSYSA-N 195.266 0.534 30 20 ACED C=CCC[C@H](O)CN(C)C1CC(N)C1 923361251 HKFJYRMFSADGHL-ILDUYXDCSA-N 198.310 0.735 30 20 ACED C#CCN[C@H](C)C[C@@H](C)NC(C)=O 1133427675 NZEKDBKXCZUXFQ-RKDXNWHRSA-N 182.267 0.512 30 20 ACED CC#CCN[C@H]1CCCN(C(C)=O)C1 1206986198 VUMDVHVLLHMADC-NSHDSACASA-N 194.278 0.610 30 20 ACED C=CCN(C)c1nnnn1CC(C)C 1332933865 VWMPNEPTNSYBKF-UHFFFAOYSA-N 195.270 0.951 30 20 ACED C#C[C@H](C)NC[C@H](O)CSC 1335969290 DUTUEVYYLFCOMN-YUMQZZPRSA-N 173.281 0.322 30 20 ACED CNCc1cn(CC2(C#N)CC2)nn1 1349750783 MQSPFRGVTQGRBY-UHFFFAOYSA-N 191.238 0.301 30 20 ACED C[C@H](CC=Nn1ccnn1)C(=O)O 1592471958 XRLGDHDPDJQJIJ-ZCFIWIBFSA-N 182.183 0.223 30 20 ACED CCc1nc(CNC(=O)CC#N)co1 1636817216 XYTXVWRAUYECFD-UHFFFAOYSA-N 193.206 0.767 30 20 ACED C/C=C(\C)C(=O)NC[C@@H](C)NCC#N 1752867764 IQOXMARZKNJCLU-VGANXODHSA-N 195.266 0.570 30 20 ACED N#Cc1ccc(NCCO)nc1 20546795 VQRJQSNFXQCXLE-UHFFFAOYSA-N 163.180 0.357 30 20 ACED COCCN(CCC#N)CCC#N 41201691 PZNQZQVEQLUJDC-UHFFFAOYSA-N 181.239 0.762 30 20 ACED C=CCN[C@](C)(COC)C(=O)OC 53199414 ANMAVCKITTYCNR-SECBINFHSA-N 187.239 0.340 30 20 ACED Cc1cc(C(=O)NCCC#N)no1 82237784 MGGWJDICMOLNPM-UHFFFAOYSA-N 179.179 0.627 30 20 ACED CC(C)(C#N)CCN1CC[C@@H](O)C1 83640406 QDPHLWMNWSDOKD-SECBINFHSA-N 182.267 0.993 30 20 ACED CC[C@@H](C#N)C(=O)N[C@H](C)CCCO 87360339 CXQJBTJTGFKQFN-BDAKNGLRSA-N 198.266 0.813 30 20 ACED C#CCN(C)C(=O)[C@H]1CCCOC1 130697936 RZDLCEFKFDBJPS-VIFPVBQESA-N 181.235 0.505 30 20 ACED C#CC(=O)[C@H]1CC[C@@H](N)C1 135345688 HOMPWMMZIZIWQI-NKWVEPMBSA-N 137.182 0.316 30 20 ACED C=CCCNC[C@@]1(OC)CCOC1 159096229 GQNXEQZUVMFTLR-JTQLQIEISA-N 185.267 0.958 30 20 ACED N#CCN1CC[C@@H]2NC(=O)CC[C@@H]2C1 160280562 CXUMHOBOKRIIRA-BDAKNGLRSA-N 193.250 0.110 30 20 ACED CCN(CCC#N)C(=O)[C@H](C)C(=O)O 165453990 GOWPACRNAWRADP-ZETCQYMHSA-N 198.222 0.469 30 20 ACED C=C(Cl)CNCc1ncnn1C 167865634 IDQHZAXNDRZBIT-UHFFFAOYSA-N 186.646 0.657 30 20 ACED C#CCN1CCC[C@@H](OC)C1 219570319 QVABMKLFIWFCDD-SECBINFHSA-N 153.225 0.730 30 20 ACED C[C@H]1CN(CCCC#N)C[C@@H](CO)O1 229963043 LQJFSFLNDGAJGH-UWVGGRQHSA-N 198.266 0.372 30 20 ACED CC(C)[C@H](C#N)NC(=O)C(F)F 232702396 ORWMKPGHTDBUKS-YFKPBYRVSA-N 176.166 0.916 30 20 ACED C=C[C@H](CO)NCCc1cccnc1 238706008 VPNSRKZSVDAMBK-LLVKDONJSA-N 192.262 0.761 30 20 ACED C[C@H]1CN(CC#N)CC[C@H]1O 253283627 MERFGGUCYCMZIQ-JGVFFNPUSA-N 154.213 0.213 30 20 ACED N#C[C@@H](N)Cc1ccn2ncncc12 259402918 BRRVQCPPFVONFG-QMMMGPOBSA-N 187.206 0.123 30 20 ACED CC(=O)c1cnn(CC#N)c1 306197154 OGTTYFRUFZSXAX-UHFFFAOYSA-N 149.153 0.609 30 20 ACED O=C(NO)c1[nH]nc2c1CCCC2 306306369 FAOZXZMMSQRVNV-UHFFFAOYSA-N 181.195 0.408 30 20 ACED N#CCc1cccc(C(=O)NO)c1 306443338 MHFSSTQECZKNOS-UHFFFAOYSA-N 176.175 0.872 30 20 ACED C#C[C@@H](C)NC(=O)C1=CCOCC1 307228473 YCXXDTYLCCCALT-MRVPVSSYSA-N 179.219 0.471 30 20 ACED C[C@@H](CO)CNc1cc(C#N)cnn1 307292061 BYFRRCFLOBFYGU-SSDOTTSWSA-N 192.222 0.389 30 20 ACED C#CCNC(=S)NCCCC 307608191 CZGHWIXDSJMZOI-UHFFFAOYSA-N 170.281 0.884 30 20 ACED CC[C@H]1CN(CCC#N)C[C@H]1O 307703619 RTTUIHNNEUOEFI-DTWKUNHWSA-N 168.240 0.603 30 20 ACED C=C(C)CNC(=S)N(C)OC 307734038 UJHHNUUEWCPOPP-UHFFFAOYSA-N 174.269 0.930 30 20 ACED C=CCS(=O)(=O)Cc1ccon1 307963760 PCELNSAJCQVEPN-UHFFFAOYSA-N 187.220 0.775 30 20 ACED C#C[C@@](C)(CC)NC[C@@H](O)COC 384173391 NNPMQNBJGAHMDO-ZJUUUORDSA-N 185.267 0.385 30 20 ACED CN(CC(F)F)C(=O)NCCC#N 393720683 SJXKZBSYCFLFQD-UHFFFAOYSA-N 191.181 0.807 30 20 ACED OCC#Cc1ccnc(C2CC2)n1 585144846 JFJJXONOYBKIHI-UHFFFAOYSA-N 174.203 0.698 30 20 ACED C[C@H](CO)CN(C1CC1)[C@H](C)C#N 595711908 DAWBXUSCONYEBT-DTWKUNHWSA-N 182.267 0.991 30 20 ACED C=CCNC(=O)[C@H](C)Cc1cnc[nH]1 654371267 MLELMTCNWSQGRS-MRVPVSSYSA-N 193.250 0.891 30 20 ACED C=CCCNC(=O)N1CC[C@H](N)C1 659562445 IFDURWARWFWLGO-QMMMGPOBSA-N 183.255 0.305 30 20 ACED C=CCCNC(=O)NCC1(O)CCC1 665946131 UAYGGMSZBJCAGV-UHFFFAOYSA-N 198.266 0.777 30 20 ACED C=CCCN(C)C(=O)[C@H](C)NC(N)=O 682427011 BTQQIUJTGPXPEO-ZETCQYMHSA-N 199.254 0.078 30 20 ACED C=C/C=C\CCN/C(=N/C)NC 713488870 SCWFQPHOWRWHME-WAYWQWQTSA-N 167.256 0.914 30 20 ACED C#C[C@H](CC)NC(=O)N(C)CCOC 753242243 AGAFVJMJLPJPCH-SECBINFHSA-N 198.266 0.686 30 20 ACED C#CCCCC(=O)N(CCO)C1CC1 760441814 GFGCNPQUZYWDJY-UHFFFAOYSA-N 195.262 0.773 30 20 ACED C=CCNC(=O)CN1C[C@H]2C=C[C@H]1C2 791293511 ZLTCIJCQBPNISH-UWVGGRQHSA-N 192.262 0.549 30 20 ACED CC#CC(=O)NC[C@@H]1CCOC[C@@H]1C 804618513 SPRGOQQIUYDNLY-UWVGGRQHSA-N 195.262 0.799 30 20 ACED C#CCCNC(=O)[C@@H](C)N(C)C 819982592 SKQRVBYOKGXOPF-MRVPVSSYSA-N 168.240 0.076 30 20 ACED CC(C)C#CC(=O)NCCCC(N)=O 822023330 QDFUKEYJDPZTRN-UHFFFAOYSA-N 196.250 0.028 30 20 ACED C#CCN(C)[C@H](COCC)C(=O)O 833364680 AFRQLELTKLHNSL-MRVPVSSYSA-N 185.223 0.041 30 20 ACED CO[C@H](C)CCNC(=O)C#CC1CC1 837385411 XWMHXHCXRNZYOP-SECBINFHSA-N 195.262 0.941 30 20 ACED CC#CCNC(=O)/C=C(/C)COC 845903201 XHQIUJGUJYCJGU-CLFYSBASSA-N 181.235 0.719 30 20 ACED C#CCO[C@@H](C)C(=O)NCC=C=C 848113680 JOVJZXZZIHLHIB-VIFPVBQESA-N 179.219 0.482 30 20 ACED C=C(C)CONC(=O)c1ncnn1C 853809658 RCBCELPOGCQBJF-UHFFFAOYSA-N 196.210 0.053 30 20 ACED C#CC[C@H](CO)NC(=O)/C=C\SC 854545805 QITZGSHKIGKVMD-RPSMYOMKSA-N 199.275 0.364 30 20 ACED C#C[C@](C)(CC)NC(=O)[C@@H](C)O 854699857 HTWDLGDGFPOSSN-VXNVDRBHSA-N 169.224 0.285 30 20 ACED C=CCC[C@H](O)CN1C[C@H](N)C[C@@H]1C 923414408 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0.662 30 20 ACED Cc1ncsc1C(=O)NCC#N 37714281 OCKOYGMCPODJME-UHFFFAOYSA-N 181.220 0.705 30 20 ACED CCOC(=O)C[n+]1cccc(N)c1 38285256 HCCSMOWPQOOVJZ-UHFFFAOYSA-N 181.215 0.119 30 20 ACED CCS(=O)(=O)N(C)[C@H](C)C#N 45143496 JZXBIFGPBQHRQQ-ZCFIWIBFSA-N 176.241 0.180 30 20 ACED C#CCN1CCN(C(=O)CCC)CC1 70227684 VNEONGYQDFEYOL-UHFFFAOYSA-N 194.278 0.564 30 20 ACED C#CCCN(CCC)CC(=O)NC 82493909 YBFAUIJNQUAWPX-UHFFFAOYSA-N 182.267 0.468 30 20 ACED C[C@@H](NC(=O)CC#N)c1ncc[nH]1 125179364 WYCDZEBOOOJANX-ZCFIWIBFSA-N 178.195 0.501 30 20 ACED CC#CCN1CC[C@@H]([C@@H](C)O)C1 156864264 XYDHOWZHIHAFAN-NXEZZACHSA-N 167.252 0.712 30 20 ACED C#C[C@H](C)NC(=N)NCC(C)C 165494386 KLEJMEQXHYNIBA-QMMMGPOBSA-N 167.256 0.778 30 20 ACED CCONC(=O)[C@@H](C)C#N 227633449 RLRPWXYYFWVTDC-YFKPBYRVSA-N 142.158 0.214 30 20 ACED Cc1ncc(C(=O)NCC#N)c(C)n1 259560573 BZWWNFSMKQASHL-UHFFFAOYSA-N 190.206 0.347 30 20 ACED C#CCNC(=S)NC1CCC1 306201173 VBFWJTLIZXJWKM-UHFFFAOYSA-N 168.265 0.636 30 20 ACED C#CC(=O)N[C@]1(C)CCO[C@H]1C 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C=CCN(C)[C@H](CO)COC(C)C 379378476 AJBJYBOZBYBSHQ-SNVBAGLBSA-N 187.283 0.890 30 20 ACED C=CCC(F)(F)C(=O)NC[C@H](C)O 382105240 IBDAVXQEZUJDIZ-LURJTMIESA-N 193.193 0.695 30 20 ACED CCC(C#N)(CC)C(=O)N1CC(O)C1 384132637 LNWDGRFKDADRQX-UHFFFAOYSA-N 196.250 0.519 30 20 ACED C#CCN(C[C@@H](O)CC)C1CC1 388402778 PNHHQNPWZIGMNN-JTQLQIEISA-N 167.252 0.855 30 20 ACED CCOCCCC/N=C1/NCCN1C 388429424 JCWOICJZWLARDX-UHFFFAOYSA-N 199.298 0.694 30 20 ACED CC(C)[C@@H](O)CN1CCOC[C@H]1C#N 590112871 CGEIGFNLPKDZJG-ZJUUUORDSA-N 198.266 0.228 30 20 ACED CN1CCC[C@@H]1CN1CC(C)(C#N)C1 593980735 PGOACRVFBFMGGI-SNVBAGLBSA-N 193.294 0.926 30 20 ACED CC1(C#N)CN(CCCCCO)C1 593982592 XMARYXIUDAPUDY-UHFFFAOYSA-N 182.267 0.994 30 20 ACED C=C[C@@H](O)C(=O)N(CC)C[C@@H](C)C#N 596821953 BKWTYKAISVEVDG-DTWKUNHWSA-N 196.250 0.541 30 20 ACED C#C[C@H](C)NC(=O)c1ccnnc1C 606260885 OIMZQNNQIZLAFZ-ZETCQYMHSA-N 189.218 0.537 30 20 ACED CCC[C@](C)(O)C(=O)NCCCC#N 612335127 LHZFSPYJLVLEFZ-JTQLQIEISA-N 198.266 0.957 30 20 ACED 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C=CCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O 655009270 SQPKOVKYKRYULR-YUMQZZPRSA-N 196.250 0.142 30 20 ACED C=CCC[C@H](C)NC[C@@H]1CNCCO1 667037262 KVUMAOWLEFIFSD-QWRGUYRKSA-N 198.310 0.919 30 20 ACED C=C[C@H](O)C(=O)N1CCC[C@H]1CC 668086942 WTMRNGGGCMUSAV-BDAKNGLRSA-N 183.251 0.934 30 20 ACED C=CCNC(=O)N1CCC[C@@H]1COC 674408675 HCKVWJBKHBFDDG-SECBINFHSA-N 198.266 0.993 30 20 ACED C#CCCCCC(=O)NCC(=O)NC 692879906 WPIJFKZBNOJIHT-UHFFFAOYSA-N 196.250 0.042 30 20 ACED C#CCCCOC(=O)C1(C(N)=O)CC1 731768060 ZMFFDFXCEWHPIJ-UHFFFAOYSA-N 195.218 0.209 30 20 ACED CCn1ccnc1C=NN[C@H](C)CO 755757068 DJFKQSOGXITBTF-MRVPVSSYSA-N 196.254 0.207 30 20 ACED C/C=C(\C)C(=O)N1CCOC[C@H]1C#N 756954758 XPFMXNJVFNCLJC-QZGLAHODSA-N 194.234 0.704 30 20 ACED C#CCCN1CCOC[C@@H]1C[C@@H](C)O 767028233 AZFDOORXFRPEIM-MNOVXSKESA-N 197.278 0.481 30 20 ACED C#C[C@H](C)N(C)C(=O)CN(C)C(C)C 769658588 NRTNMYZALGJLGD-JTQLQIEISA-N 196.294 0.807 30 20 ACED C#CCNC(=O)CCN1CCC[C@H]1C 815055338 WRTYMEWCCZGBTL-SNVBAGLBSA-N 194.278 0.610 30 20 ACED CC(C)C#CC(=O)N1CCC(=O)CC1 820771158 ILRQHUOQILFQQF-UHFFFAOYSA-N 193.246 0.837 30 20 ACED C#CCNC(=O)N1C[C@H](C)NC[C@H]1C 841507181 VZVGXXLQNOFHOU-DTWKUNHWSA-N 195.266 0.011 30 20 ACED C=C[C@@H](C)ONC(=O)c1cnco1 846546547 CVEAIBPGYYSSJP-ZCFIWIBFSA-N 182.179 0.911 30 20 ACED C=CCNC(=N)NCC(C)(C)COC 849030841 ZKTQFZDVHNVYKB-UHFFFAOYSA-N 199.298 0.959 30 20 ACED C#CCOCCOC(=O)[C@@H]1CCCO1 853886012 XQAYAKMJOFUSBT-VIFPVBQESA-N 198.218 0.358 30 20 ACED CC(C)C#CC(=O)NOC(C)(C)CO 854754372 MUUWZDVQQGJIKW-UHFFFAOYSA-N 199.250 0.465 30 20 ACED C[C@@H](O)CSc1ccnc(C#N)n1 882737577 PKZSLWGAWUEFDQ-ZCFIWIBFSA-N 195.247 0.821 30 20 ACED C=C[C@](C)(CC)C(=O)NCC(=O)O 908625406 KNLKOVUWQRSYRQ-SECBINFHSA-N 185.223 0.790 30 20 ACED C#CCN1C(=O)N[C@@](C)(C2CC2)C1=O 916600368 YEDQBGSLMISNLB-JTQLQIEISA-N 192.218 0.340 30 20 ACED C#CCNC(=O)[C@@H](C)OCCOCC 918147484 JWEDOZNXVIASHW-SECBINFHSA-N 199.250 0.177 30 20 ACED C#CCCN1C[C@H]2C(NC(C)=O)[C@@H]2C1 957996745 OXOXZDUPNBVOKY-NXEZZACHSA-N 192.262 0.076 30 20 ACED CC(C)c1ncc(C(=O)NCC#N)[nH]1 1323102719 XSDMRLNOUZNAJI-UHFFFAOYSA-N 192.222 0.786 30 20 ACED C#Cc1cc(N2CC[C@H](O)C2)ncn1 1537960044 TWRQLVSBMWSUHI-VIFPVBQESA-N 189.218 0.029 30 20 ACED Cc1noc(CNC(=O)[C@@H](C)C#N)n1 45008233 CDECBRVGAYQEFV-YFKPBYRVSA-N 194.194 0.154 30 20 ACED CC[C@@H](C#N)C(=O)N(C)C[C@@H](C)O 51838973 WPAKWKRQYBVRFS-SFYZADRCSA-N 184.239 0.375 30 20 ACED C=CCNC(=O)CCN1CCOC1=O 74688041 KTLUSQROTVATCA-UHFFFAOYSA-N 198.222 0.131 30 20 ACED C=C(CC)CN1CCOC[C@@H]1C(=O)O 85060248 XXQFYVUOKZUSHC-SECBINFHSA-N 199.250 0.738 30 20 ACED CCOC(=O)Cc1nccnc1C#N 97758565 JCNWSIZOEFVXNL-UHFFFAOYSA-N 191.190 0.454 30 20 ACED N#C[C@H]1CO[C@@H]2[C@@H](C#N)CO[C@H]12 114622456 KICUUYZUHRWMJX-RULNZFCNSA-N 164.164 0.064 30 20 ACED C=CCCn1cccnc1=O 123842924 XZSVWNZAZHIKCH-UHFFFAOYSA-N 150.181 0.819 30 20 ACED C=C(C)CNC(=O)c1cn[nH]c1 160667136 NZRXJKBSZNYWIX-UHFFFAOYSA-N 165.196 0.716 30 20 ACED C=C(Cl)CN[C@H](C)CC(N)=O 161746582 WFOANTHTPLWVPO-ZCFIWIBFSA-N 176.647 0.592 30 20 ACED C=C(C)CN1C[C@H](O)C[C@@H]1C(=O)O 163709459 FQXKGLNEHLZFOR-HTQZYQBOSA-N 185.223 0.082 30 20 ACED C=CCCNC(=O)c1cnn(C)c1 168931470 IHFNGSVFYPWAGY-UHFFFAOYSA-N 179.223 0.726 30 20 ACED Cc1cnc(CNC(=O)[C@H](C)C#N)o1 225071959 TZLZIWQANQBYPA-ZCFIWIBFSA-N 193.206 0.759 30 20 ACED C#CCSCCNC[C@@H](C)O 231946070 FAZKSPXKARDPJF-MRVPVSSYSA-N 173.281 0.323 30 20 ACED CC[C@@H](C#N)NC(=O)C(F)F 234028714 PSLUVLOMDTUHMY-BYPYZUCNSA-N 162.139 0.670 30 20 ACED C=CCCNC(=O)CCC(=O)OC 238323243 QUPCRYDRDNYKEG-UHFFFAOYSA-N 185.223 0.632 30 20 ACED N#CCOC(=O)c1cccc(O)c1O 238723615 MMAKRQJLKITRNP-UHFFFAOYSA-N 193.158 0.778 30 20 ACED CN1CCCC[C@@H]1C(=O)NCCC#N 259891817 IGXWECHQPCHJAG-SECBINFHSA-N 195.266 0.501 30 20 ACED CC[C@H](C#N)NC(=O)[C@@H]1CCCN1C 259976122 MKSIYDMLGLOHAJ-BDAKNGLRSA-N 195.266 0.499 30 20 ACED N#Cc1cncnc1SCCO 306291034 RUAIDWNJDSAYLL-UHFFFAOYSA-N 181.220 0.433 30 20 ACED N#C[C@H]1O[C@]12CCCOCC2 306426026 RYEADDVJGCJROR-SFYZADRCSA-N 153.181 0.848 30 20 ACED C=C(C)Cn1cnc(N)n1 306839976 ZJOVQGCQULPCPF-UHFFFAOYSA-N 138.174 0.436 30 20 ACED CC(C)(C#N)NC(=O)c1cnsn1 307009315 HXADMVATWDVERN-UHFFFAOYSA-N 196.235 0.570 30 20 ACED C[C@H]1CN(CCCC#N)CC(=O)N1 307452472 TVYABOJBDGKICW-QMMMGPOBSA-N 181.239 0.110 30 20 ACED O=C(NO)[C@H]1CC12CCC2 307760838 XEDKIMQJAUKWBX-RXMQYKEDSA-N 141.170 0.682 30 20 ACED CSCCONC(=O)[C@H](C)C#N 308144786 JEKKFIKMJLGLLT-ZCFIWIBFSA-N 188.252 0.557 30 20 ACED C[C@@H]1CN(C)CC1=Nn1cnnc1 308268328 QTYBLSLPBAMEQL-SSDOTTSWSA-N 179.227 0.064 30 20 ACED C[C@H](O)CCNC(=O)CCCC#N 308285928 YZFXZOGAJMWCER-QMMMGPOBSA-N 184.239 0.567 30 20 ACED CC(=NN[C@@H](C)CO)c1nccs1 308333674 MISBKWKPIYAPSK-LURJTMIESA-N 199.279 0.838 30 20 ACED CN1CN([C@H]2CC[C@@H](C#N)C2)CC1=O 335928767 XJWUZUHMOOGUCR-BDAKNGLRSA-N 193.250 0.410 30 20 ACED CON=CC(=O)NCC(F)(F)F 379330184 WVAJPXNXOVZOTO-UHFFFAOYSA-N 184.117 0.297 30 20 ACED C=CCN1C[C@H](C)O[C@H](COC)C1 379407006 XRYWRIHDEGLODM-UWVGGRQHSA-N 185.267 0.908 30 20 ACED Cc1noc(C)c1C=NNCC(=O)O 382040365 XHSSTNOCDJYDQS-UHFFFAOYSA-N 197.194 0.300 30 20 ACED C=CCOCCN(C)[C@@H](CC)CO 385650850 JQNHJMMETURXDX-JTQLQIEISA-N 187.283 0.892 30 20 ACED C=CCCOCCN=c1[nH]nc(C)o1 388820491 JCPAFTLYWDSOQL-UHFFFAOYSA-N 197.238 0.805 30 20 ACED C=CCNN=Cc1cnn(C)c1 393338949 QXKCUSNCDWVNTQ-UHFFFAOYSA-N 164.212 0.530 30 20 ACED C#CCNC(=O)Cn1cc(CC)cn1 402013931 NLAADNPTURVNKN-UHFFFAOYSA-N 191.234 0.195 30 20 ACED C=CCNc1cc(N)nc(C)n1 409430034 KLPAIIAHAYORQL-UHFFFAOYSA-N 164.212 0.965 30 20 ACED C=CCC(C)(C)C(=O)NCC(=O)OC 590030145 QSHIQFBGQVOPCC-UHFFFAOYSA-N 199.250 0.878 30 20 ACED N#CC1CN(C(=O)C[C@@H]2CCCO2)C1 590481261 KDGVPYURSSBEEQ-VIFPVBQESA-N 194.234 0.537 30 20 ACED CCO[C@@H]1COC[C@H]1NCCC#N 591770446 HXZUGPLULYVNKS-RKDXNWHRSA-N 184.239 0.294 30 20 ACED C=CCn1cc(CNCCC#N)nn1 591771485 KDZWPZXHSKLATD-UHFFFAOYSA-N 191.238 0.467 30 20 ACED C=CCCSCCNC(=O)CO 597968829 MQAXCQYIJSKLLW-UHFFFAOYSA-N 189.280 0.404 30 20 ACED C=C[C@@](C)(O)C(=O)N(C)CC(=C)C 613304834 JTOSDKWUNWVDHL-SNVBAGLBSA-N 183.251 0.958 30 20 ACED CO[C@@H](C(=O)NC[C@@H](C)C#N)C1CC1 619371744 BGRZAABPRPXWIF-IONNQARKSA-N 196.250 0.687 30 20 ACED C=CCCC(=O)N1CCC[C@H]1C(N)=O 628834327 IDWRYTWARKGNEP-QMMMGPOBSA-N 196.250 0.429 30 20 ACED CC(=O)CN(C1CC1)[C@H](C)C#N 639800782 NEOGACRMYCYVKR-SSDOTTSWSA-N 166.224 0.952 30 20 ACED C=CCCNC(=O)NC[C@@H](C)O 665942599 HMRBIJKMMUECEU-SSDOTTSWSA-N 172.228 0.243 30 20 ACED C=C(CC)CN1CC[C@@H](CO)[C@H](O)C1 676582184 IVXZKTUBUUMCKI-WDEREUQCSA-N 199.294 0.628 30 20 ACED C=CCN(C)C[C@H](O)COC(C)C 681696683 KVOVOCVPDMYWKU-JTQLQIEISA-N 187.283 0.890 30 20 ACED CCCOC(=O)NCC#CCO 717564330 QNVYPBIFXMRIPZ-UHFFFAOYSA-N 171.196 0.118 30 20 ACED C#Cc1ccc(C(=O)NC2CC2)cn1 728855056 ISVOMOIFTPCETE-UHFFFAOYSA-N 186.214 0.955 30 20 ACED CCC1(C(=O)NC(C)(C)C#N)COC1 755690916 BNFRPZJHIYNNAS-UHFFFAOYSA-N 196.250 0.831 30 20 ACED CC#CC(=O)NCCCOCCOC 763963731 RJOMJTMNUMSKSX-UHFFFAOYSA-N 199.250 0.179 30 20 ACED C#CC(=O)NCC1(C(=O)OCC)CC1 771602439 PGMCEBFUTDVLFV-UHFFFAOYSA-N 195.218 0.079 30 20 ACED COC/C=C/C(=O)O[C@@H](C#N)COC 786618887 XJMWBVXXRLHIKV-RTMURIBGSA-N 199.206 0.271 30 20 ACED C#CCCCC(=O)N1CCO[C@@H]2C[C@H]21 816897696 KEZIXEGLFGNXCW-NXEZZACHSA-N 193.246 0.790 30 20 ACED C#CCCCC(=O)N1CCO[C@H]2C[C@H]21 816897699 KEZIXEGLFGNXCW-ZJUUUORDSA-N 193.246 0.790 30 20 ACED CCN(CCC#N)C[C@@H]1CCC(=O)O1 821381438 YYLBFQBDPFKEKM-VIFPVBQESA-N 196.250 0.928 30 20 ACED C=CCCc1noc(COCCN)n1 843237984 JYEUHNYZRWLGGI-UHFFFAOYSA-N 197.238 0.664 30 20 ACED C#CCCCNC(=N)N1CCOCC1 849011077 NMVGYJJOKYSMOQ-UHFFFAOYSA-N 195.266 0.256 30 20 ACED Cc1ccccc1C=NOCC(N)=O 852219840 FLBGCPHWYBJMNO-UHFFFAOYSA-N 192.218 0.831 30 20 ACED C=CC(C)(C)C(=O)NC[C@H]1COCO1 861981213 WBPVSBSBDDGPEU-QMMMGPOBSA-N 199.250 0.688 30 20 ACED CCCn1cc(C=NOC)nn1 872341580 UXKGOSPUCDSZQG-UHFFFAOYSA-N 168.200 0.668 30 20 ACED C[C@H]1CN(C)CC1=NN1CCC1 872396372 FICQWAMWWALHHU-QMMMGPOBSA-N 167.256 0.630 30 20 ACED C#CC(=O)N1CCC[C@H](CO)[C@H]1C 899164379 QPUQJGSINBIERQ-RKDXNWHRSA-N 181.235 0.239 30 20 ACED CCC[C@H](O)C(=O)O[C@@H](C#N)CC 909876207 QBNFTPMQJHKJQS-SFYZADRCSA-N 185.223 0.993 30 20 ACED C#CCN(CC)C[C@H]1CCOC1 917065056 KQTKOYPZDFSCKL-SNVBAGLBSA-N 167.252 0.978 30 20 ACED C=C(CO)C(=O)N1C[C@H]2C=C[C@H]1C2 1332314738 KKCGLJSMNRLYOZ-IUCAKERBSA-N 179.219 0.322 30 20 ACED C#C[C@@H](NC(=O)C=C)[C@H]1CCCO1 1338389692 OEPNXGZSAVVULL-RKDXNWHRSA-N 179.219 0.469 30 20 ACED C=C[C@H](COC)NC(=O)[C@@H](C#N)CC 1346195848 LEUHCPRLFWWJKN-RKDXNWHRSA-N 196.250 0.853 30 20 ACED C[C@]1(C#N)CCN(C(=O)[C@H]2C[C@H]2N)C1 1576329312 DTEMKIOZAKVGLX-QXFUBDJGSA-N 193.250 0.096 30 20 ACED CC[C@@H](C#N)C(=O)N[C@H]1CCN[C@@H]1C 1576933327 YSOGUYZTTDOOAB-VGMNWLOBSA-N 195.266 0.403 30 20 ACED CC[C@H](C#N)NC(=O)[C@@H](CC)C(=O)O 1604878526 PLKGMFSHDQYUDB-RNFRBKRXSA-N 198.222 0.516 30 20 ACED N#C[C@@H]1CC[C@@H](SCC(N)=O)C1 1641205234 JVUSOMJNJYAYPC-RNFRBKRXSA-N 184.264 0.897 30 20 ACED C[C@@]1(C(=O)N2CC[C@H](C#N)C2)CO1 2088606804 NXMDLZDBEUCBIQ-APPZFPTMSA-N 180.207 0.147 30 20 ACED N#CCC(=O)N[C@@H]1CCN(C2CC2)C1 44678997 ALCUROGVJNXCSO-MRVPVSSYSA-N 193.250 0.253 30 20 ACED CC[C@@H](COC)NC(=O)[C@@H](C)C#N 70659227 VBHYTOKQLDWGAG-YUMQZZPRSA-N 184.239 0.687 30 20 ACED C=CCN1CCC[C@H]1CNC(C)=O 80450336 RNQUZKYMGGTFRU-JTQLQIEISA-N 182.267 0.773 30 20 ACED C=C(C)C(=O)[C@@H]1COC[C@@H]1N 135423625 LXOMYDDVASVDGE-RQJHMYQMSA-N 155.197 0.105 30 20 ACED C#C[C@H](C)NC(=O)c1ncccc1O 166862850 QWDFJVJZDLOHMV-ZETCQYMHSA-N 190.202 0.539 30 20 ACED CCN(CC#N)Cc1cn(C)nn1 230351013 OJSVVCJYFUTDLK-UHFFFAOYSA-N 179.227 0.161 30 20 ACED C[C@@H]1CN(CC#N)[C@H](C)CN1C 306501054 ZPELQCZLONWMAW-RKDXNWHRSA-N 167.256 0.534 30 20 ACED CC[C@H]1CN(CC#N)C[C@@H]1O 306690346 MDJIDQFFRQHQGI-YUMQZZPRSA-N 154.213 0.213 30 20 ACED C/N=C(/NC)N1CCC(OC)CC1 306936884 KCFWPUVYBCLBMU-UHFFFAOYSA-N 185.271 0.302 30 20 ACED C#CC(=O)N[C@@H]1CCC[C@H]1N(C)C 307629125 XIVVWOSOKSOBDF-RKDXNWHRSA-N 180.251 0.219 30 20 ACED CCNc1ncc(C(=O)NO)s1 307703623 RUHRMJYUVXLFIV-UHFFFAOYSA-N 187.224 0.694 30 20 ACED C#CCN[C@H](C#C)[C@@H]1CCCO1 307709705 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C=C[C@H](C)ONC(=O)[C@H]1CC(C)=NO1 855026624 KSPWHUYQGBXMTP-JGVFFNPUSA-N 198.222 0.774 30 20 ACED C#CCCOC(=O)N(C)CC[C@@H](C)O 859027656 GODWBGNUQSRXFM-SECBINFHSA-N 199.250 0.849 30 20 ACED C#CC(=O)N1CC[C@@H](CCCO)C1 899160049 ZQCIDJAAMPRCTB-SECBINFHSA-N 181.235 0.241 30 20 ACED N#Cc1ccc(CNCC2(N)CC2)o1 904442061 CNONEFYYALAZKX-UHFFFAOYSA-N 191.234 0.732 30 20 ACED C#CCN(C)[C@H]1CCN(C(C)=O)C1 970914364 CPDMASOQDALIMJ-JTQLQIEISA-N 180.251 0.172 30 20 ACED C=CCN(C)C(=O)NC[C@@H](C)CNC 1325366632 NERWNSVGMJRLQI-VIFPVBQESA-N 199.298 0.669 30 20 ACED C#CCCCNC(=O)[C@@H](C)OCC#C 1330889058 YNIPMOOVPKABFO-SNVBAGLBSA-N 193.246 0.554 30 20 ACED C=CCCONC(=O)C#CCOC 1331282999 SXYAHBLNBWLXIG-UHFFFAOYSA-N 183.207 0.260 30 20 ACED C#CCO[C@H](C)C(=O)NCCC1CC1 1347816422 RNFKJXWHIKKGPJ-SECBINFHSA-N 195.262 0.941 30 20 ACED C[C@H](CC(=O)O)CC(=O)N(C)CC#N 1604104152 YWRDMZMPUFRUIL-ZETCQYMHSA-N 198.222 0.469 30 20 ACED C=C(C)CN1CC(NC(=O)COC)C1 1753369246 LTUGGQCHTXZMBX-UHFFFAOYSA-N 198.266 0.009 30 20 ACED C#C[C@H](C)CO 6036604 QDLPJHIEFRSZJK-YFKPBYRVSA-N 84.118 0.248 30 20 ACED COC(=O)c1cc(N)cn1CC#N 41040328 IZGRYKQURJADNP-UHFFFAOYSA-N 179.179 0.380 30 20 ACED CN(CCCCC#N)CC(N)=O 49579386 KICXJJJQYLKKGL-UHFFFAOYSA-N 169.228 0.097 30 20 ACED N#CCCCNC(=O)[C@H]1CCCCO1 54137750 LREWWPVVEQXINW-SECBINFHSA-N 196.250 0.975 30 20 ACED C=CCN(C(=O)[C@@H](C)N)C1CC1 83933915 JGRQTPFPAPCLEE-SSDOTTSWSA-N 168.240 0.511 30 20 ACED C#C[C@H](N)[C@H]1CCCO1 83947720 GLIYPZPVBJJGAP-NKWVEPMBSA-N 125.171 0.126 30 20 ACED in-vitro CCn1ncnc1CCCC=O 83996808 QZQJDMGUTNOLMJ-UHFFFAOYSA-N 167.212 0.820 30 20 ACED C=CC[C@@H](C)NC(=O)[C@H](C)CN 122429427 URLWKPRYWBOYLV-HTQZYQBOSA-N 170.256 0.662 30 20 ACED N#Cc1ccc(O[C@H]2CCNC2)cn1 122702088 UAZAOJAJZMFJIV-JTQLQIEISA-N 189.218 0.694 30 20 ACED CC[C@@H](CCO)NC(=O)CC#N 123508942 JQTTZORVODPGRH-ZETCQYMHSA-N 170.212 0.177 30 20 ACED C=CCN(C)C(=O)c1ccc(=O)[nH]c1 131376032 ONQAZXZVAPFUHG-UHFFFAOYSA-N 192.218 0.633 30 20 ACED C=C(C)C(=O)CNC1CC1 135405972 PIYSXDCWPROQNU-UHFFFAOYSA-N 139.198 0.884 30 20 ACED C#CCNCC(=O)N1CC[C@H](CC)C1 166158372 NNQKCFRUORBVIT-JTQLQIEISA-N 194.278 0.468 30 20 ACED C=C(C)CCN1C[C@H](O)C[C@@H]1C(=O)O 169081411 MSSYLQYBUGUZLN-RKDXNWHRSA-N 199.250 0.472 30 20 ACED C[C@@H]1CCN(CCCC#N)[C@@H]1CO 227007455 LWDTVIQWAFRJFS-NXEZZACHSA-N 182.267 0.993 30 20 ACED CC[C@@](C)(OC)C(=O)N[C@@H](C)C#N 233989942 CXOPMWGJSJVLLM-IONNQARKSA-N 184.239 0.830 30 20 ACED C[C@H](CC#N)NC(=O)[C@H]1C[C@H]1C(=O)O 251635696 RPDCKAQQXJCSNY-DSYKOEDSSA-N 196.206 0.125 30 20 ACED Cc1conc1C(=O)N(C)[C@H](C)C#N 259633674 KVHYUDVHLFFEHV-SSDOTTSWSA-N 193.206 0.967 30 20 ACED CC#CCNC(=O)c1coc(C)n1 306273553 ZOGVVLBMKLSGEB-UHFFFAOYSA-N 178.191 0.736 30 20 ACED C#CCCn1cnc([N+](=O)[O-])c1 306279488 YYPGXQTWRLDEKZ-UHFFFAOYSA-N 165.152 0.815 30 20 ACED C#CCN1CCC[C@]12CCOC2=O 306421168 YXZAQNSEDLGOFC-SNVBAGLBSA-N 179.219 0.401 30 20 ACED C#CCN1C(=O)NC2(CCC2)C1=O 306500600 YKCUCMILNKIWQA-UHFFFAOYSA-N 178.191 0.094 30 20 ACED C[C@H]1C[C@H]1CN1CC(O)(CC#N)C1 306576491 TXYBORBYPQWHJN-IUCAKERBSA-N 180.251 0.603 30 20 ACED N#Cc1ccc(=O)n(CCCN)c1 306609954 ZOFLVIBXQNROOT-UHFFFAOYSA-N 177.207 0.069 30 20 ACED CC1(C)OCC[C@@]12O[C@@H]2C#N 306657717 KEJMZJVOTYCGGF-SVRRBLITSA-N 153.181 0.846 30 20 ACED C=CCN1CCN(C(=O)NC)CC1 306972417 VWOJLCNZJQZDKU-UHFFFAOYSA-N 183.255 0.129 30 20 ACED C#CCC(=O)CC1(N)CC1 306978606 FANZTGQQWVWPDN-UHFFFAOYSA-N 137.182 0.460 30 20 ACED C#C[C@@H](C)NC(=O)c1nnc(C)s1 307510368 CPRAGYXCRGADBB-RXMQYKEDSA-N 195.247 0.598 30 20 ACED CS[C@H](C)C(=O)NCCC#N 307690586 OYPJGEVDBDHVJG-ZCFIWIBFSA-N 172.253 0.768 30 20 ACED C=CCNN=C(C)c1ccn[nH]1 307971960 YQDTYHUBKQAZHQ-UHFFFAOYSA-N 164.212 0.909 30 20 ACED CCN(CC#N)C(=O)[C@@H](O)C(C)C 308152706 ACBKRCSORPFTBH-QMMMGPOBSA-N 184.239 0.375 30 20 ACED C=CCCOCCNC(=S)NC 308177557 ZXLIOZLBSMWORW-UHFFFAOYSA-N 188.296 0.673 30 20 ACED CCNC(=O)CN(CC#N)C1CC1 308207877 DMCHVTIHTQDYFG-UHFFFAOYSA-N 181.239 0.110 30 20 ACED C#CCNC(=O)NC[C@](C)(O)CC 308252992 CIGFXBYLDGROBX-SECBINFHSA-N 184.239 0.080 30 20 ACED COC(=O)[C@@](C)(NCC#N)C1CC1 308466659 JHPJZWOROBVAKO-VIFPVBQESA-N 182.223 0.441 30 20 ACED C=CCOC(=O)C1(C(=O)NC)CC1 308472095 KWAPEECMZZWOFB-UHFFFAOYSA-N 183.207 0.242 30 20 ACED C#C[C@@H](NCCF)[C@H]1CCCO1 379329065 SHXPFIGSOXBBIG-RKDXNWHRSA-N 171.215 0.726 30 20 ACED C[C@H](C#N)CNN=Cc1ncc[nH]1 379388636 JRVIRDQWHGQIBV-SSDOTTSWSA-N 177.211 0.493 30 20 ACED C#CCNC(=O)C[C@](C)(O)C1CC1 379413650 MEBPMDBCQKFAFH-JTQLQIEISA-N 181.235 0.287 30 20 ACED N#Cc1cnc2ccc(C=O)nn12 585164277 MRWIJHGOLONMFS-UHFFFAOYSA-N 172.147 0.413 30 20 ACED CSC[C@@H](O)CNCCCC#N 591759468 SNDMCSZYGGRSEI-QMMMGPOBSA-N 188.296 0.604 30 20 ACED COC[C@](C)(CO)NCC1(C#N)CC1 602933877 ZCELUSDLEIFXOK-VIFPVBQESA-N 198.266 0.277 30 20 ACED C=CCCOCC(=O)N[C@H]1C[C@H](O)C1 620872032 NXOASOMJQDFZCL-KYZUINATSA-N 199.250 0.219 30 20 ACED C=CCN(C)C(=O)NC[C@@H](N)CC 641945423 GOVSZKBTPVCHNS-QMMMGPOBSA-N 185.271 0.551 30 20 ACED C=CCNC(=O)C12CC(CN1)C2 642850473 QZSYCSDBVNRKQW-UHFFFAOYSA-N 166.224 0.041 30 20 ACED C#CCOCCN(C)CC1(C)COC1 761109992 RLTPADFHPYGLNP-UHFFFAOYSA-N 197.278 0.605 30 20 ACED C#CCC(C)(C)C(=O)N(CC)CCO 767299259 AMBQSBFGLVUCAD-UHFFFAOYSA-N 197.278 0.877 30 20 ACED C#CC[C@H]1NC(=O)N(CCC=C)C1=O 810002456 XWBFLQWAEXRZKK-MRVPVSSYSA-N 192.218 0.506 30 20 ACED Cc1ccc(C=NNC[C@@H](C)O)cn1 814963340 JADBMBBAGHCZJT-SECBINFHSA-N 193.250 0.694 30 20 ACED C[C@H]1OCCC1=NNc1cnnn1C 814982722 MFUPZPTXLBLIPY-ZCFIWIBFSA-N 195.226 0.392 30 20 ACED C#CCO[C@H](C)C(=O)N(CC)OCC 831455177 VKZJRQXNPACKED-SECBINFHSA-N 199.250 0.825 30 20 ACED C=CCONC(=O)C1=COCC1 837047192 YCVDFMQUEAWFAA-UHFFFAOYSA-N 169.180 0.524 30 20 ACED C#CC(=O)N1CCC([C@H](C)CO)CC1 846477773 YBFGZNPMWKJVCD-SECBINFHSA-N 195.262 0.487 30 20 ACED C/C=C/C(=O)N[C@@H]1CCCN(O)C1=O 848139678 BEGYLZOQFLFSMN-NUOXCJHRSA-N 198.222 0.059 30 20 ACED C#CCOCCN1CC[C@@](O)(CC)C1 851956916 GTPNXPVVMQAVAA-NSHDSACASA-N 197.278 0.483 30 20 ACED C=CCONC(=O)NCC[C@H](C)N 857103739 CUUHQTVUCPAAIS-ZETCQYMHSA-N 187.243 0.141 30 20 ACED C#CCCOC(=O)N1CC(C)(O)C1 859140748 UYKOPVCYBOZARH-UHFFFAOYSA-N 183.207 0.213 30 20 ACED CC#CCOC(=O)[C@H](CC)NC(C)=O 869676835 GMODTZTZKYITSQ-VIFPVBQESA-N 197.234 0.468 30 20 ACED C#CCNC(=O)c1[nH]cnc1C 873821789 PYGWSNJPSUHIRU-UHFFFAOYSA-N 163.180 0.081 30 20 ACED C#CCN(CC)C(=O)CC(=O)OC 906395145 QTOUSVFRZKHOHE-UHFFFAOYSA-N 183.207 0.031 30 20 ACED C#C[C@@H](C)NC(=O)O[C@@H]1CCOC1 915040265 AMHHRSQTJCHODP-HTQZYQBOSA-N 183.207 0.523 30 20 ACED COc1cc(C(=O)OCC#N)ncn1 923913826 QMZLFUDTYDEXSK-UHFFFAOYSA-N 193.162 0.166 30 20 ACED C=C[C@H](C)NC(=O)N[C@H]1COC[C@@H]1C 926008738 BSQCMCUGSSDTFT-CIUDSAMLSA-N 198.266 0.895 30 20 ACED N#CCCN1CCC[C@@H]1C1OCCO1 933907366 QPCRONXBUAHBFH-SECBINFHSA-N 196.250 0.737 30 20 ACED C=CCN(C)C(=O)CO[C@H]1CCOC1 1116695779 ZSSXHUJVLSSFTA-VIFPVBQESA-N 199.250 0.436 30 20 ACED C[C@H](C#N)C(=O)NOC[C@H]1CCOC1 1320782482 NCLGZBDQJJVFDL-SFYZADRCSA-N 198.222 0.230 30 20 ACED CN(C)CC#CCNC(=O)[C@H]1C[C@@H]1F 1528641090 BPKPJARWOJWUDY-IUCAKERBSA-N 198.241 0.026 30 20 ACED CC1(C#N)CN(CCCC(=O)O)C1 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CC1(CN2CCOC[C@@H]2C#N)COC1 261016510 XQDGQAANFPEEIF-VIFPVBQESA-N 196.250 0.247 30 20 ACED C/N=C(\NC)NC[C@@H](C)C1CC1 306739851 SPNRPJHUSYLCTA-SSDOTTSWSA-N 169.272 0.827 30 20 ACED C[C@@H](CO)Nc1cc(C#N)cnn1 306780934 QBAQWULABYITHX-LURJTMIESA-N 178.195 0.141 30 20 ACED C[C@H](O)C(=O)N[C@@]1(C#N)CC1(C)C 306995765 RALUWLNPPDLOSK-IMTBSYHQSA-N 182.223 0.176 30 20 ACED O=C(NO)c1ocnc1C1CC1 307260472 MXDXHXOIUGTFBA-UHFFFAOYSA-N 168.152 0.671 30 20 ACED C=C1CCN([C@@H](CC)C(N)=O)CC1 307533890 MYJPCHZKHSZMQA-VIFPVBQESA-N 182.267 0.902 30 20 ACED C#CCOCCOC(=O)CC 307900990 NBYVPUCWBSSFHZ-UHFFFAOYSA-N 156.181 0.589 30 20 ACED C=C[C@H](CO)NC(=O)[C@H](C)C(C)C 308167069 YCJCPEQBLGOOKM-RKDXNWHRSA-N 185.267 0.942 30 20 ACED C#CCN(CC#N)C(=O)CCC=C 308265330 PDGVYRIDJOGDKL-UHFFFAOYSA-N 176.219 0.938 30 20 ACED C=CCOCC(=O)O[C@H]1CCOC1 308347491 WJUXUKVJXAIOOH-QMMMGPOBSA-N 186.207 0.521 30 20 ACED C[C@H](C#N)C(=O)NCCNC(C)(C)C 308491739 BVVFTIWCGGLPMO-MRVPVSSYSA-N 197.282 0.650 30 20 ACED 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N#C[C@]1(F)CCN(c2ncccn2)C1 615532592 YBNGFQIESFCZSS-SECBINFHSA-N 192.197 0.919 30 20 ACED C=C(C)CN(CC)CC1(CO)COC1 674902097 PJBNPYIOPQZOAV-UHFFFAOYSA-N 199.294 0.893 30 20 ACED Cc1ncoc1C(=O)NC1(C#N)CC1 695221533 DYTTVPVRXFNAJB-UHFFFAOYSA-N 191.190 0.769 30 20 ACED C#CCNC(=O)N=c1cc[nH]cc1F 759996544 DNPRZNHERUJHDS-UHFFFAOYSA-N 193.181 0.397 30 20 ACED C#CCCCC(=O)Nc1n[nH]c(C)n1 760260771 FHSOIJONNZRSCU-UHFFFAOYSA-N 192.222 0.855 30 20 ACED C[C@H]1NC(=O)N(CC2(C#N)CC2)C1=O 777916985 GUUROONSSKFPCG-ZCFIWIBFSA-N 193.206 0.230 30 20 ACED C#CC(=O)NC[C@H]1CCO[C@@H]1C(=C)C 798036381 JGWCIIXVJITCBG-MWLCHTKSSA-N 193.246 0.717 30 20 ACED C#C[C@@H](C)NC(=O)N(CC)CCO 820436353 VWOKBLVRWURYDG-MRVPVSSYSA-N 184.239 0.032 30 20 ACED C#CCO[C@H](C)C(=O)Nc1cc[nH]n1 822836673 JEJJFJFKELGQNH-SSDOTTSWSA-N 193.206 0.387 30 20 ACED C[C@@H](CC(=O)O)C(=O)O[C@H](C)CC#N 827219076 WMOFKUJTVKHMFZ-NKWVEPMBSA-N 199.206 0.943 30 20 ACED C#CCOCCNC(=O)C#CC(C)C 832107904 IBJDZTRQCIKTTM-UHFFFAOYSA-N 193.246 0.412 30 20 ACED C=CCONC(=O)NOC1CCC1 834938739 OQEGSZKGODMPDN-UHFFFAOYSA-N 186.211 0.887 30 20 ACED C#CCNC(=O)NC[C@H](OC)C1CC1 836189365 MUEACGXAXPWFDJ-VIFPVBQESA-N 196.250 0.344 30 20 ACED C#CCOC(=O)c1nn(C)cc1C 840687019 MQGPQBVRYNCFGQ-UHFFFAOYSA-N 178.191 0.519 30 20 ACED C#CCN(C)C(=O)NOCC(=C)C 845611342 CRFTWNMMSIGNOT-UHFFFAOYSA-N 182.223 0.769 30 20 ACED C#CCO[C@@H](C)C(=O)N[C@@H]1C=CCC1 855432787 BDPIJXUSAAXSJZ-VHSXEESVSA-N 193.246 0.860 30 20 ACED C#C[C@H](C)NC(=N)N(C)CCOC 871606844 XIUPYVSMZHJLAV-QMMMGPOBSA-N 183.255 0.111 30 20 ACED C=CCNN=C1COC[C@@H]1C 884465032 LASNEXOCNFIPEC-ZETCQYMHSA-N 154.213 0.784 30 20 ACED CCON=Cc1cc(C(=O)O)nn1C 901165873 OMEQWEDDODPPQB-UHFFFAOYSA-N 197.194 0.489 30 20 ACED C=C[C@](C)(O)C(=O)N[C@@H]1COC[C@H]1C 928915574 DENMHFOMANXTFZ-MRTMQBJTSA-N 199.250 0.075 30 20 ACED CC[C@H](CO)N1CCC(C#N)CC1 929416213 GRYYOSRPUHFXEP-SNVBAGLBSA-N 182.267 0.993 30 20 ACED Cc1cc(C=NN[C@@H](C)CO)ncn1 1324217786 WAFISWPTRSXBKS-QMMMGPOBSA-N 194.238 0.089 30 20 ACED Cc1[nH]nc(O)c1NC(=O)[C@H](C)C#N 1328394485 IWPZBXFXLUKVMJ-SCSAIBSYSA-N 194.194 0.522 30 20 ACED CC#CC(=O)N[C@@H](C)c1nc(C)no1 1344653837 BJTSETMLAODFFA-LURJTMIESA-N 193.206 0.579 30 20 ACED C#CCN(CC(=O)O)C(=O)C1=CCC1 1588400466 YIQLHSGAUVBKHK-UHFFFAOYSA-N 193.202 0.253 30 20 ACED C#CC[C@H](N[C@H]1CO[C@H](C)C1)C(=O)O 1588422556 LBFHOJDOVICLTG-HLTSFMKQSA-N 197.234 0.230 30 20 ACED Cc1[nH]ncc1C(=O)NCCC#N 70705712 RJVXXJFGXKBHRL-UHFFFAOYSA-N 178.195 0.362 30 20 ACED C[C@@H](CC#N)NC(=O)N(C)C 78441440 XGXQFLMNIRZSMG-LURJTMIESA-N 155.201 0.560 30 20 ACED N#CCC(=O)Nc1ncccc1O 82254872 ZWSGDWSSSWJZGX-UHFFFAOYSA-N 177.163 0.639 30 20 ACED C#CCCn1cc(C(=O)O)cn1 82497132 ZQJSEHMBSQUPOT-UHFFFAOYSA-N 164.164 0.605 30 20 ACED C=CCCC(=O)OCCO 115171758 XYRWNTLBRZMXOD-UHFFFAOYSA-N 144.170 0.488 30 20 ACED C=C(C)CNc1nc(N)nc(N)n1 140376371 CJHKQEYKEISFMB-UHFFFAOYSA-N 180.215 0.024 30 20 ACED C=CCC(=O)[C@]1(N)CCOC1 164328824 SUGUKWGOWNADPV-QMMMGPOBSA-N 155.197 0.249 30 20 ACED C[C@@H](C#N)C(=O)N[C@]1(C)CCCOC1 221699351 VTRZOAVTCZYJBB-WCBMZHEXSA-N 196.250 0.831 30 20 ACED C#CCCCCNC(=O)COC 229745616 IMIIIRJTOIPQAQ-UHFFFAOYSA-N 169.224 0.553 30 20 ACED C#CCCCNC(=O)[C@](C)(N)CC 229841371 NJQBFOKDGKBUHE-SNVBAGLBSA-N 182.267 0.643 30 20 ACED C#CCCN(C)C[C@H](C)C(=O)NC 230319315 XUNACEWYHIYPCK-VIFPVBQESA-N 182.267 0.324 30 20 ACED N#CCN(CCO)CC(F)F 231317901 QCDGFRYPZGZNPS-UHFFFAOYSA-N 164.155 0.069 30 20 ACED CCNC(=O)c1ccc(C#N)[nH]1 306497789 SBRXVJWKTPOUNR-UHFFFAOYSA-N 163.180 0.636 30 20 ACED C=C[C@H](C)NC(=O)c1noc(C)n1 306511428 MXBCGSRNYLIJGM-YFKPBYRVSA-N 181.195 0.682 30 20 ACED C[C@@H]1C[C@H]1CN1CC(O)(CC#N)C1 306576489 TXYBORBYPQWHJN-BDAKNGLRSA-N 180.251 0.603 30 20 ACED N#Cc1cc(N2CCC2)ncn1 306717596 VHWSUTOVUANRCA-UHFFFAOYSA-N 160.180 0.558 30 20 ACED C#CCNC(=O)CN1CC[C@@H](C)[C@@H]1C 306797281 XUNILNSZSDIICF-ZJUUUORDSA-N 194.278 0.466 30 20 ACED C=CCN1CC[C@@H](C)C[C@H]1C(N)=O 306983380 KLURYZJFCBGFEN-BDAKNGLRSA-N 182.267 0.758 30 20 ACED C#C[C@H](C)N(C)c1nnc(C)o1 307750847 LJICMOVBKHBQEV-LURJTMIESA-N 165.196 0.836 30 20 ACED C=CCN(C)C(=O)c1cnn(C)c1 308404987 JEDYBOSSGNSYPN-UHFFFAOYSA-N 179.223 0.678 30 20 ACED C[C@@H](C#N)OCCN1CC[C@@H](CO)C1 308514834 DSUJECSYJKVLGM-VHSXEESVSA-N 198.266 0.229 30 20 ACED C=C1CN[C@H](COC(C)=O)C1 328578420 KVOKGSOOUKQTMP-QMMMGPOBSA-N 155.197 0.468 30 20 ACED C#CCCNC(=O)C1(C(C)=O)CC1 378860032 OCBNONMZQYGHJS-UHFFFAOYSA-N 179.219 0.495 30 20 ACED CC#CC(=O)NCCOCC1CC1 379382322 ISQVHMJSLUDMAK-UHFFFAOYSA-N 181.235 0.553 30 20 ACED CON=Cc1ccccc1C(N)=O 379416498 RXKZYZJYVKGTNJ-UHFFFAOYSA-N 178.191 0.766 30 20 ACED CC[C@@H]1CCC1=NNCC(=O)O 382107730 JDILXNGKONASOU-ZCFIWIBFSA-N 170.212 0.837 30 20 ACED C[C@H](O)CNN=Cc1cncs1 382211419 HERDEDDLVAEVOS-LURJTMIESA-N 185.252 0.447 30 20 ACED C[C@H](C#N)OCCN1C[C@@H](C)[C@@H](O)C1 387830083 YPZMDQVUNWNKPL-BBBLOLIVSA-N 198.266 0.228 30 20 ACED C[C@H](O)CNC[C@@H](C#N)CCC#N 393721876 DPSHAJJIJJAIJE-DTWKUNHWSA-N 181.239 0.400 30 20 ACED C=C[C@H](NC[C@@H]1CC[C@H](C)O1)C(=O)O 398097703 RNQSNLIVVPEQBL-CIUDSAMLSA-N 199.250 0.783 30 20 ACED C=C[C@H](C)ONC(=O)CCCCO 400839805 VZXLOVIFKVBEPB-QMMMGPOBSA-N 187.239 0.771 30 20 ACED C=CCN(CCC#N)C(=O)C(C)(C)O 590409128 CIIPGZRDXLNUBA-UHFFFAOYSA-N 196.250 0.686 30 20 ACED Cn1ncc(C#N)c1NCCCO 596051960 UWAVXLUSHIIKBT-UHFFFAOYSA-N 180.211 0.086 30 20 ACED C=C[C@H](CO)NC(=O)[C@@H](C#N)CC 598460123 QHXVLUWRDXRNFS-HTQZYQBOSA-N 182.223 0.199 30 20 ACED CN(CC#N)C[C@H]1C[C@@H](O)C1 599672368 NGUMYYYMOYCOHX-OCAPTIKFSA-N 154.213 0.213 30 20 ACED C[C@@H]1OCC[C@@H]1Cn1cnc(C#N)n1 601074653 WZRQRULVFANSIT-JGVFFNPUSA-N 192.222 0.575 30 20 ACED N#CCC(=O)NC1CSC1 606246000 UWXJLMVZKTWBLE-UHFFFAOYSA-N 156.210 0.132 30 20 ACED CC[C@@H]1CCCN1CC(=O)NCC#N 609419633 BMPKMGWVNCKRRL-SECBINFHSA-N 195.266 0.501 30 20 ACED CCC[C@@H](C#N)NC(=O)c1cnc[nH]1 609911487 KTAZZQNBDSEWRH-ZETCQYMHSA-N 192.222 0.832 30 20 ACED CC(C)[C@H](NC(=O)CC#N)C(C)(C)O 616524745 GMUKJDVLJFIDRQ-VIFPVBQESA-N 198.266 0.812 30 20 ACED C=C[C@@H]1OCC[C@H]1N[C@H](C)COC 648745311 GLKIZEXUDQCLMB-BBBLOLIVSA-N 185.267 0.954 30 20 ACED C=C[C@H](CO)NC[C@H]1C[C@H]2CC[C@H]1O2 662168763 UARWWYSCWKDKRD-GWOFURMSSA-N 197.278 0.690 30 20 ACED C=C[C@H](C)NC(=O)[C@H](C)n1cncn1 674958002 WPSVFIIMFSXKQT-YUMQZZPRSA-N 194.238 0.530 30 20 ACED C#CCN1CC[C@H](CF)C1 711504701 VPSZONCQWDGNLC-MRVPVSSYSA-N 141.189 0.911 30 20 ACED O=C(NCC#CCO)OC1CCC1 717431201 LIIBHNUDGYFLLI-UHFFFAOYSA-N 183.207 0.261 30 20 ACED C#CCNC(=O)CCC(=O)NCCC 731687237 IANVYVVILICFQM-UHFFFAOYSA-N 196.250 0.042 30 20 ACED C#CC(=O)NCc1ccn2ccnc2c1 754083166 UFQNJQSDTMDOPB-UHFFFAOYSA-N 199.213 0.584 30 20 ACED COCC#CCN1CC[C@@H](OC)C1 762924919 AFWLLPIVCWQYSB-SNVBAGLBSA-N 183.251 0.357 30 20 ACED C#C[C@H](C)NC(=O)[C@H]1CCO[C@@H](C)C1 772966781 LXIRUAHPIOTMFL-GUBZILKMSA-N 195.262 0.939 30 20 ACED C=Cn1cc(C=NN[C@H](C)CO)cn1 773059697 VIDAUMXULQUOSL-MRVPVSSYSA-N 194.238 0.288 30 20 ACED CON=CC(=O)Nc1c(C)n[nH]c1C 773826507 XSMBRLPOCOQKRO-UHFFFAOYSA-N 196.210 0.597 30 20 ACED C#CCCOC(=O)[C@@H]1CCC(=O)N1C 784840025 WUOAGJWXRRWBAT-QMMMGPOBSA-N 195.218 0.174 30 20 ACED C=CCCC(=O)OCc1cnn(C)n1 802978571 OHELFOXKZHHFOA-UHFFFAOYSA-N 195.222 0.825 30 20 ACED C#CCNC(=O)[C@H](C)OC(=O)C(C)C 821560106 HUSHVGGTCLFHRG-QMMMGPOBSA-N 197.234 0.324 30 20 ACED C[C@H](C#N)CNC(=O)[C@@H](C)CC(=O)O 825966432 CPLPFMHEFVNONL-RQJHMYQMSA-N 198.222 0.373 30 20 ACED C=CC(C)(C)C(=O)N1CC=C(N)N1 829848587 KNZPHOAZEAIGCU-UHFFFAOYSA-N 181.239 0.346 30 20 ACED CC#CC(=O)N[C@@H](C)[C@@H](OC)C1CC1 837015811 VQGUAQHBULJTTI-GZMMTYOYSA-N 195.262 0.939 30 20 ACED C=C[C@H](C)ONC(=O)Cn1cccn1 846542947 JLNDWPJSEMJADL-QMMMGPOBSA-N 195.222 0.505 30 20 ACED C[C@H](C#N)CNC(=N)N1CCOCC1 849003802 HHWWWJJONHHSNF-MRVPVSSYSA-N 196.254 0.003 30 20 ACED C#C[C@@H](C)NC(=N)N1CCSCC1 849020350 ZMXMFXAJSAQKQX-MRVPVSSYSA-N 197.307 0.581 30 20 ACED C=C[C@@](C)(O)c1cn([C@H](C)CN)nn1 849149338 BZJWHHAOOJNLJC-VXNVDRBHSA-N 196.254 0.191 30 20 ACED C#CCN1CCN(CC#C)[C@H](C)[C@H]1C 852739939 JVSQXHFBFYRZJK-VXGBXAGGSA-N 190.290 0.647 30 20 ACED CC(C)C#CC(=O)NC1CC1 854161070 LYKOYNGVOALWCE-UHFFFAOYSA-N 151.209 0.924 30 20 ACED CC[C@@H](O)[C@@H](C)C(=O)N[C@@H](C)C#N 907749637 NQBOYHGWIVIKIA-XLPZGREQSA-N 184.239 0.422 30 20 ACED CC1=CCCN(C[C@H](O)CC#N)C1 930305465 IOBSTJZGWLSMSE-SNVBAGLBSA-N 180.251 0.913 30 20 ACED Cc1ocnc1C(=O)N(C)[C@@H](C)C#N 1324347074 QAVJROMSPOBIHB-LURJTMIESA-N 193.206 0.967 30 20 ACED C=CCOCC(=O)OCc1cc[nH]n1 1350040030 HMJATORUSFPIRY-UHFFFAOYSA-N 196.206 0.656 30 20 ACED C[C@@H](C[C@@H](C)N)NC(=O)[C@@H]1C[C@@H]1C#N 1576144893 GOQPZHCCHDOYDE-BZNPZCIMSA-N 195.266 0.388 30 20 ACED C=C(CC)C(=O)NCCC(=O)O 1588606159 WRFKXAQOVBFMTO-UHFFFAOYSA-N 171.196 0.544 30 20 ACED C=CC[C@H](NCc1ccon1)C(=O)O 1588749477 KTRHGUDXAPHBRY-QMMMGPOBSA-N 196.206 0.794 30 20 ACED C[C@H]1C[C@@H]1CN(CC#N)CC(=O)O 1604682509 CESRSIZAEYTVMU-JGVFFNPUSA-N 182.223 0.553 30 20 ACED Cc1ccc(C(=O)NCC#N)cc1O 37714214 QYJYREUAIVKMDX-UHFFFAOYSA-N 190.202 0.954 30 20 ACED C=CCn1cnc(C(=O)OC)n1 83442278 IMWUPEHVDYNOHX-UHFFFAOYSA-N 167.168 0.251 30 20 ACED COCCONCCC#N 133209830 YVHXCMBVONVPTB-UHFFFAOYSA-N 144.174 0.068 30 20 ACED C[C@H](C(=O)NCC#N)C1CC1 148013005 QZGUXSFUSYKHNB-LURJTMIESA-N 152.197 0.672 30 20 ACED C[C@H]1CC(NC(=O)CC#N)=NO1 221489974 NKODJGCLSNJZMH-YFKPBYRVSA-N 167.168 0.139 30 20 ACED C#CCCCCNC(=O)COCC 229745627 SCLOIVJNUAMRDR-UHFFFAOYSA-N 183.251 0.943 30 20 ACED CO[C@H]1CN(CCCC#N)C[C@H]1OC 234787036 NJDSNXXQBSCGPN-AOOOYVTPSA-N 198.266 0.636 30 20 ACED COC(=O)C#CC1CCNCC1 238347202 RMZWXWCLPFEDAR-UHFFFAOYSA-N 167.208 0.162 30 20 ACED CC(=NNC(=N)N)c1cccs1 252446963 DJAWVTHAOIURIG-UHFFFAOYSA-N 182.252 0.955 30 20 ACED N#Cc1ccc(C(=O)O)c(N)n1 260120408 DOJPSJRCAQDSKO-UHFFFAOYSA-N 163.136 0.234 30 20 ACED C=C[C@H](C(=O)OC)N1CCOCC1 301020689 KBUIXNMMXOOJNZ-MRVPVSSYSA-N 185.223 0.046 30 20 ACED CC#CCNC(=O)c1cnn(C)c1 306291681 TURQUTUIECFZTC-UHFFFAOYSA-N 177.207 0.173 30 20 ACED CC#CC(=O)Nc1cnn(C)c1C 306328310 NGSIJLCUMLBDOA-UHFFFAOYSA-N 177.207 0.690 30 20 ACED CC#CC(=O)N(C)CC(F)F 306969944 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N#C[C@H]1CN(C(=O)CC2CC2)CCO1 82473511 WEJJPBODSBRJML-VIFPVBQESA-N 194.234 0.537 30 20 ACED C#CCN(C)CCC(=O)O 84544187 RQGJDGQFZHGWPL-UHFFFAOYSA-N 141.170 0.026 30 20 ACED CN(CCC#N)C(=O)c1cnns1 88353387 RSLGGHNSFLSJJN-UHFFFAOYSA-N 196.235 0.524 30 20 ACED C=CCCC(=O)NC1[C@@H]2CNC[C@@H]12 105225472 MQYVHKGQLIAWSS-HTQZYQBOSA-N 180.251 0.287 30 20 ACED C#CC[C@@H](NC(=O)CC1CC1)C(=O)O 127382944 OMPQJENLJVIWJT-MRVPVSSYSA-N 195.218 0.379 30 20 ACED C#CCN(C)C(=O)CCCOC 130662926 LGKJWLYWKMFREW-UHFFFAOYSA-N 169.224 0.505 30 20 ACED CC[C@H](C#N)C(=O)N[C@H](C)CCO 133281861 AHSIZSNMTIZTEY-HTQZYQBOSA-N 184.239 0.423 30 20 ACED C#C[C@@H](C)NC(=O)[C@H]1CCCOC1 165265645 MHGPSGVKJIGSHI-BDAKNGLRSA-N 181.235 0.551 30 20 ACED C#CCCCCC(=O)N[C@@H](C)CO 222841433 WRHIMQFUOHGIFG-VIFPVBQESA-N 183.251 0.677 30 20 ACED C=C[C@H](C)N[C@H]1CCCNC(=O)C1 229180584 WBILCTBEZPFKPX-IUCAKERBSA-N 182.267 0.819 30 20 ACED CC[C@@H](O)CN[C@H](C)CC#N 229977409 XZNORWWLFYQVFC-HTQZYQBOSA-N 156.229 0.649 30 20 ACED 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CC#CCCN1CC[C@H](C(=O)O)C1 161402977 OIENAEMOKIMAJM-VIFPVBQESA-N 181.235 0.806 30 20 ACED CC#CCNc1nccn(CC)c1=O 162499587 NMMKKTKLJBRQTI-UHFFFAOYSA-N 191.234 0.698 30 20 ACED CN(CCC#N)CCc1ccnn1C 230760851 KTGCQHHRBYXTAD-UHFFFAOYSA-N 192.266 0.808 30 20 ACED CCN(CCNC(=O)CC#N)C1CC1 231141956 FXPSIJNRXLYDOR-UHFFFAOYSA-N 195.266 0.501 30 20 ACED C=CCNC(=O)Nc1ccncn1 306301177 GFDHYRHGSMWKDF-UHFFFAOYSA-N 178.195 0.784 30 20 ACED C#CCN1C[C@@H](O)C(C)(C)C1 306430223 RNONIPJENOVEIT-MRVPVSSYSA-N 153.225 0.322 30 20 ACED CC[C@]1(CO)CCCN(CC#N)C1 306459183 BRYVUDLPROTCDR-JTQLQIEISA-N 182.267 0.994 30 20 ACED CC#CC(=O)N(C)[C@H]1CCSC1 306591802 QJWROLNNZURTNI-QMMMGPOBSA-N 183.276 0.974 30 20 ACED C/N=C(\NC)NC[C@H]1CCCS1 306818741 KGMUGONTSXWJAZ-SSDOTTSWSA-N 187.312 0.677 30 20 ACED C=C1CCN(C(=O)[C@H](N)CC)CC1 306974251 MBBYAGWACAJSGA-SECBINFHSA-N 182.267 0.902 30 20 ACED C[C@H](NC(=O)C(C)(C)C)C(=O)NO 307615782 QZGUOZSHTLJBLJ-YFKPBYRVSA-N 188.227 0.043 30 20 ACED C=C[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1 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183.251 0.982 30 20 ACED C=CCCNC(=O)N1CC[C@@](C)(O)C1 665942307 DQYZKQCBLOWXBU-SNVBAGLBSA-N 198.266 0.729 30 20 ACED C=C[C@@H](C)NC(=O)Cn1cc(C)cn1 674956576 MDYWIHCFFANSLE-SECBINFHSA-N 193.250 0.882 30 20 ACED C#C[C@H](CC)NC(=O)[C@H](COC)OC 691121252 GRVXEDLUEPMPHS-BDAKNGLRSA-N 199.250 0.176 30 20 ACED C#CC[C@@H](CO)NC(=O)CC1CC1 717769041 BVXMRXRIXFPLEW-VIFPVBQESA-N 181.235 0.287 30 20 ACED C#CCOC(=O)CCCN(C)C(=O)O 736077058 XLCSWUHONBYICR-UHFFFAOYSA-N 199.206 0.553 30 20 ACED CCn1nccc1C=NOCCOC 753709840 RFOSXJIYEHQPHW-UHFFFAOYSA-N 197.238 0.900 30 20 ACED C#CC(=O)N(CCCCC)CC(N)=O 781028398 IWCYSCLMIRPFJT-UHFFFAOYSA-N 196.250 0.124 30 20 ACED CC#CC(=O)NC1CCN(CC)CC1 801112381 RPNWVHCTCOQJTK-UHFFFAOYSA-N 194.278 0.610 30 20 ACED CCCCC[C@@H](O)C(=O)N(C)CC#N 822896458 OBUFENMSDJIRLJ-SECBINFHSA-N 198.266 0.910 30 20 ACED C=CCONC(=O)N1CC(F)C1 838712980 WCRDRQIHJZSSIL-UHFFFAOYSA-N 174.175 0.467 30 20 ACED C=CCCCC(=O)N[C@H]1CCOC1=O 869092624 SRUCPIDJEZBLCU-QMMMGPOBSA-N 197.234 0.774 30 20 ACED 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0.501 30 20 ACED C=CCCC(=O)NCCC(=O)OC 54401196 QNOKHRVXODGWNF-UHFFFAOYSA-N 185.223 0.632 30 20 ACED CC#CCN[C@](C)(CC)C(=O)O 86799762 ARHZZAIFKPWEIR-SECBINFHSA-N 169.224 0.853 30 20 ACED C[C@@H](C(=O)O)N1CCC[C@@H](C#N)C1 227577113 MADOGANAQIHDTQ-YUMQZZPRSA-N 182.223 0.695 30 20 ACED C=CCN1CCNC(=O)C1(C)C 259407424 YGIYKEBVZWMQTN-UHFFFAOYSA-N 168.240 0.383 30 20 ACED N#CCNC(=O)C1CCSCC1 259969416 LYNWVLHAGNDPHA-UHFFFAOYSA-N 184.264 0.769 30 20 ACED C=CCN1CC[C@@H](C)[C@H]1C(=O)O 299909788 KVJQPUNGXCCDSY-SFYZADRCSA-N 169.224 0.967 30 20 ACED C[C@H]1C[C@H](O)CN1CC1(C#N)CC1 306658583 IUJQNJLACMUYRS-IUCAKERBSA-N 180.251 0.745 30 20 ACED C[C@H]1OCCC[C@H]1C(=O)NCC#N 307707696 HXYOEIGGVPSJIW-HTQZYQBOSA-N 182.223 0.441 30 20 ACED C#CCNC(=O)C[C@H]1CCCOC1 307747611 ZEIRCSSVXJUPMX-SECBINFHSA-N 181.235 0.553 30 20 ACED N#CCCn1nnc(C2CC2)n1 307747679 ZJZUTVNPSPDBHA-UHFFFAOYSA-N 163.184 0.464 30 20 ACED C[C@H]1CC[C@@H](C=NOCC(N)=O)C1 308305947 OLELFNNGSPJHGV-JGVFFNPUSA-N 184.239 0.910 30 20 ACED C=C[C@@H](C)NC(=O)N1CCO[C@@H](C)C1 334369871 NXPZTACIMQINIF-BDAKNGLRSA-N 198.266 0.991 30 20 ACED COCC#CCONC(=N)C(C)C 379390204 NEYPZWMWPXNQED-UHFFFAOYSA-N 184.239 0.791 30 20 ACED C#CCCCNC(=O)N(C)CC#C 379417602 UVXFREDHYTWKGP-UHFFFAOYSA-N 178.235 0.674 30 20 ACED CO[C@](C)(C=NNCCO)C1CC1 382111174 KKRPYVHACBWNCQ-SECBINFHSA-N 186.255 0.369 30 20 ACED C#C[C@H](C)NC(=O)CSCC#N 388391297 CFHRTVPBXIPSHC-ZETCQYMHSA-N 182.248 0.381 30 20 ACED C[C@@H](C#N)OCCN[C@@H](CO)C1CC1 389286722 WCYKZADLZLFOMR-WPRPVWTQSA-N 198.266 0.276 30 20 ACED C=CCCC(=O)Nn1cnnc1 393333711 VHTLPJVOXOIMJX-UHFFFAOYSA-N 166.184 0.314 30 20 ACED Cc1cncnc1N1CC(C#N)C1 603383677 NGHMZOSCMNXPIF-UHFFFAOYSA-N 174.207 0.745 30 20 ACED C#CCNC(=O)[C@@H]1CC12CCOCC2 606265847 GNQDBPGCTCRQPL-VIFPVBQESA-N 193.246 0.553 30 20 ACED CC[C@@H](C(=O)NCCCC#N)N(C)C 612333622 FQKPNOCMZLBZBG-VIFPVBQESA-N 197.282 0.747 30 20 ACED C=C[C@@H](O)C(=O)NC/C=C/CC 615733391 JOBYHUNJRNRBEL-HQZHTGGTSA-N 169.224 0.616 30 20 ACED C=C(C)CCNC(=O)C1(O)CCC1 653807635 BJWAKTGGFJLGBR-UHFFFAOYSA-N 183.251 0.984 30 20 ACED CC#CCCNC(=O)NC[C@@H](C)CN 669563832 IYUMFQPBRPFMMG-VIFPVBQESA-N 197.282 0.294 30 20 ACED C=CCCC(=O)N(C)[C@H]1CCNC1=O 677643956 ZIHHPDJMHYGZMK-QMMMGPOBSA-N 196.250 0.300 30 20 ACED CC[C@@H](CC#N)NC(=O)C1CC(=O)C1 680828379 ZJVKKGGMHQBRTC-QMMMGPOBSA-N 194.234 0.774 30 20 ACED C=CC[C@@H](C)NC(=O)CNC(=O)O 736096925 SYNMYLKYTBTOES-ZCFIWIBFSA-N 186.211 0.335 30 20 ACED C=CCCn1ccc(C=NO)nc1=O 740872229 JGSJWUVWVQSICM-UHFFFAOYSA-N 193.206 0.628 30 20 ACED C#CCN1CC[C@H](c2nccn2C)C1 757642882 OPGUXXAQKCIGKH-JTQLQIEISA-N 189.262 0.843 30 20 ACED C#CCNC(=O)NC[C@@H](CO)CC=C 774550037 HNNTYZUTLHAPTA-VIFPVBQESA-N 196.250 0.103 30 20 ACED C#CCCCNC(=O)C[C@@](C)(O)C=C 810449396 OGFIPIRYAJPLJJ-NSHDSACASA-N 195.262 0.843 30 20 ACED C=C[C@@H](O)C(=O)OCc1ccncc1 814543539 FUMNQOCRPFBLPR-SECBINFHSA-N 193.202 0.672 30 20 ACED CC#CCn1c(Cl)cncc1=O 820695897 OMRFZYKGYVOXSR-UHFFFAOYSA-N 182.610 0.920 30 20 ACED C=CCONC(=O)C[C@@H](C)COC 837048685 WCFZDFHUEKCTFM-MRVPVSSYSA-N 187.239 0.893 30 20 ACED C=C[C@H](CO)NC(=O)N[C@@H]1C=CCC1 852504712 LWGYLGHCZYSFSY-RKDXNWHRSA-N 196.250 0.551 30 20 ACED C#CCCN(CC#CC)CCOC 852749162 QVZLJIVOYQOHFF-UHFFFAOYSA-N 179.263 0.981 30 20 ACED C=C[C@](C)(O)C(=O)N1CCC[C@H]2C[C@H]21 854421228 QAJWDMRWRQZMMP-NGZCFLSTSA-N 195.262 0.934 30 20 ACED C#CCO[C@@H](C)C(=O)N[C@H]1C=CCC1 855432786 BDPIJXUSAAXSJZ-UWVGGRQHSA-N 193.246 0.860 30 20 ACED C[C@@H](CC#N)N(C)C(=O)CCC(N)=O 906564264 BCZFUSVRGUXHOP-ZETCQYMHSA-N 197.238 0.012 30 20 ACED C=CCC[C@H](O)CN1C[C@H](N)C[C@H]1C 923414410 VCYJKVNETKHKQT-MXWKQRLJSA-N 198.310 0.735 30 20 ACED COCC#CC(=O)NCCC(F)F 1124112138 PMMATEYAZMTOMC-UHFFFAOYSA-N 191.177 0.408 30 20 ACED C#Cc1ccc(NC[C@@H](C)O)nc1 1337751300 UAQWJFFXKHYYHX-MRVPVSSYSA-N 176.219 0.856 30 20 ACED COC1(C(=O)N(C)[C@H](C)C#N)CCC1 1526982753 RKCIQADFTJDXJN-MRVPVSSYSA-N 196.250 0.926 30 20 ACED C[C@@H](CCC#N)CN1CCC12CNC2 1575941055 HYIFUDWRBHREOC-JTQLQIEISA-N 193.294 0.974 30 20 ACED CN(CC(C)(C)N)C(=O)[C@@H]1C[C@@H]1C#N 1578441079 NKHKKNFJMFXYDF-HTQZYQBOSA-N 195.266 0.342 30 20 ACED C[C@@H](C#N)NC(=O)[C@]1(C(=O)O)C[C@H]1C 1594198938 RHPXKGAEGTWUOL-JHEQGTHGSA-N 196.206 0.125 30 20 ACED CCC(=O)N1CCC[C@H]1C=O 19678889 IXNYNWGUTSGKAH-ZETCQYMHSA-N 155.197 0.586 30 20 ACED C#CCCN1CCC[C@H]1CC(=O)O 42163196 JYKRKPODVZPZAI-VIFPVBQESA-N 181.235 0.949 30 20 ACED CCS(=O)(=O)N(C)C[C@H](C)C#N 42460873 ATVGJLGPWSUVOZ-SSDOTTSWSA-N 190.268 0.428 30 20 ACED N#CCCNC(=O)c1ccco1 48521401 ZMRMPPCHOQPDEB-UHFFFAOYSA-N 164.164 0.923 30 20 ACED COC(=O)NC[C@H](C)C#N 54157544 HDZWLXPUQYKJDO-RXMQYKEDSA-N 142.158 0.502 30 20 ACED CC#CCN1CC[C@@](C)(C(=O)O)C1 62935011 KAEFIGONVKJSCC-SNVBAGLBSA-N 181.235 0.806 30 20 ACED Cc1cn([C@@H](C)C#N)nc1N 69760378 OUSAORCHDNXOHS-LURJTMIESA-N 150.185 0.858 30 20 ACED N#CCC1(CN2CC[C@@H](CO)C2)CC1 83855174 VPCBACMNLNVUIN-SNVBAGLBSA-N 194.278 0.994 30 20 ACED C=C[C@H](C)N[C@@H](C)CC(N)=O 122958685 LDMXYDRGHJRTHT-BQBZGAKWSA-N 156.229 0.414 30 20 ACED CNC(=O)NC[C@@H](C)C#N 125186174 UXMXBGCVCRIAGP-YFKPBYRVSA-N 141.174 0.075 30 20 ACED C=CC[C@H](NC(=O)[C@@H]1C[C@H]1C)C(=O)O 127479159 YKLNENAEIAYUHJ-PRJMDXOYSA-N 197.234 0.788 30 20 ACED CCOC(C)(C)/C(N)=N/O 130979322 ACBIGLXFOZIEEH-UHFFFAOYSA-N 146.190 0.548 30 20 ACED C[C@H]1OCC[C@@H]1NCCC#N 133222366 JQBIGFKUJNGYFE-SFYZADRCSA-N 154.213 0.667 30 20 ACED CC1(NC(=O)CC#N)CC1 168073784 PXFRLZYREWTZLD-UHFFFAOYSA-N 138.170 0.569 30 20 ACED CC#CCN1CCS(=O)CC1 204907212 OJDOKKNTTHJOOI-UHFFFAOYSA-N 171.265 0.074 30 20 ACED C[C@H](C#N)NC(=O)c1cncs1 226230354 IPBUEZKTCNSUAP-RXMQYKEDSA-N 181.220 0.785 30 20 ACED C#C[C@H](CCC)NC[C@@H](O)COC 229980054 HRJIBGZGEHOOTR-NXEZZACHSA-N 185.267 0.385 30 20 ACED C#CCCN1CCC[C@@H](C(=O)NC)C1 230319225 XRRMQFHZLMJSPK-SNVBAGLBSA-N 194.278 0.468 30 20 ACED CC[C@@H](C#N)C(=O)Nc1cncnc1 232089570 AKJLPEOHJLSAOL-ZETCQYMHSA-N 190.206 0.965 30 20 ACED CC[C@H](C#N)NC(=O)c1cncn1C 233907495 BNLBEGZKBHAUEP-SSDOTTSWSA-N 192.222 0.452 30 20 ACED CC(C)C[C@@H](N)C#CC(=O)O 238135370 HJQQYGXSHARBAG-ZETCQYMHSA-N 155.197 0.448 30 20 ACED Cc1c[nH]nc1C(=O)NCCCC#N 259572148 DIKFKDUAVXSWQC-UHFFFAOYSA-N 192.222 0.752 30 20 ACED C[C@@H]1NC(=O)CC[C@H]1C#N 260195751 QHIXHBVTXVWUOW-WDSKDSINSA-N 138.170 0.425 30 20 ACED Cc1cn(CC(N)=O)cc1C#N 306245742 WJKKGVPCDUQVHR-UHFFFAOYSA-N 163.180 0.154 30 20 ACED C[C@H](CC#N)NC1CSC1 306476366 WCRNZCWLNANPOJ-ZCFIWIBFSA-N 156.254 0.994 30 20 ACED C[C@H](C#N)OC(=O)[C@@]1(F)CCOC1 306607939 VCRCIMVBXLOXDX-HTRCEHHLSA-N 187.170 0.570 30 20 ACED C[C@@H](O)C[C@]1(C=O)CCCOC1 306737530 ZCLOYYZKXGBGME-BDAKNGLRSA-N 172.224 0.753 30 20 ACED C#CCOC(=O)c1c[nH]c(C#N)c1 306881184 LRDDZSWZNVADJE-UHFFFAOYSA-N 174.159 0.676 30 20 ACED C[C@@H](C#N)C(=O)NC[C@@H](C)C#N 307225877 UXDWVKSQKFQCMC-BQBZGAKWSA-N 165.196 0.422 30 20 ACED C[C@@H](C#N)C(=O)Nc1ccc(O)nc1 307308941 DJSAEARBNRVYNO-LURJTMIESA-N 191.190 0.885 30 20 ACED C[C@@H](O)C(=O)N[C@@H]1CC[C@H](C#N)C1 307680622 OSMOCOTYVXHZDO-GJMOJQLCSA-N 182.223 0.176 30 20 ACED C#CCCNC[C@H](O)CC(F)(F)F 307954522 QKDRVKKMKWTTFE-SSDOTTSWSA-N 195.184 0.913 30 20 ACED C#CCNC(=O)N(C)CC(F)F 308154442 OBWRKHILQUZTIP-UHFFFAOYSA-N 176.166 0.526 30 20 ACED CCO[C@H](C)C(=O)NC[C@@H](C)C#N 308392259 BOXDULNLEMLKNC-JGVFFNPUSA-N 184.239 0.687 30 20 ACED CC[C@H](CC#N)NC(=O)C=NOC 308403926 IQBUGDWKJKDICA-SSDOTTSWSA-N 183.211 0.427 30 20 ACED C#CCCN(CC)[C@@H]1CCNC1=O 308405431 JLEAQSQSRQQQNI-SECBINFHSA-N 180.251 0.220 30 20 ACED CC#CCN1C(=O)CC(C)(C)C1=O 336553157 MKXKHVAPNOJODO-UHFFFAOYSA-N 179.219 0.795 30 20 ACED C=C[C@H](CO)NCc1csnn1 379328655 QOHKQLXLYIKTLC-ZCFIWIBFSA-N 185.252 0.175 30 20 ACED C#CCCN[C@](C)(CC)C(=O)OC 388251555 WYTCRCYYJKXFIM-SNVBAGLBSA-N 183.251 0.941 30 20 ACED CC#CC(=O)N(C)C[C@@H](C)OC 388433831 OUXNYGQQHXYHGR-MRVPVSSYSA-N 169.224 0.503 30 20 ACED CC[C@@H](N[C@@H](C)CC#N)C(=O)OC 388618879 DRKYOEBVXNXELU-JGVFFNPUSA-N 184.239 0.830 30 20 ACED N#Cc1ccnc(C#CCN)c1 585144759 CJLVKVHSDQIQQE-UHFFFAOYSA-N 157.176 0.263 30 20 ACED C=CCCC(=O)NCC(C)(C)C(N)=O 588086609 SIDQTJJLPWQSQQ-UHFFFAOYSA-N 198.266 0.580 30 20 ACED CC[C@H](C#N)C(=O)Nc1n[nH]c(C)n1 593450417 CYMDYZJMAZYCGJ-ZCFIWIBFSA-N 193.210 0.601 30 20 ACED C=C[C@H](CO)NC(=O)[C@H]1CCCOC1 620590380 ULDGYNKAFDWRPZ-DTWKUNHWSA-N 199.250 0.076 30 20 ACED C=C1CN(C(=O)C(C)(C)C(=O)O)C1 642851440 KBOUBTZCTHPTTA-UHFFFAOYSA-N 183.207 0.496 30 20 ACED C=CCCNC(=O)N(C)C1CC(N)C1 659561845 BLHHEYONMODLLB-UHFFFAOYSA-N 197.282 0.694 30 20 ACED CC#CCCNC(=O)N(C)CCOC 681538398 PFXRYGPJGNQHPJ-UHFFFAOYSA-N 198.266 0.688 30 20 ACED C=CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 682537603 JJJJTIIHJGBHIB-AEJSXWLSSA-N 194.278 0.758 30 20 ACED C[C@@H]1COC[C@@H]1NCCOCCC#N 699834052 HWDFAKILSHQHGI-ZJUUUORDSA-N 198.266 0.541 30 20 ACED C=C(C)Cn1cc([C@@H](C)O)nn1 699947247 NXBJFCBJQUHFPV-SSDOTTSWSA-N 167.212 0.908 30 20 ACED C=C[C@H](CO)NCc1cnsn1 717468125 RLJIBGJZRMLNAX-ZCFIWIBFSA-N 185.252 0.175 30 20 ACED CCN1CCC(=NNC(=N)N)[C@@H](C)C1 741451007 JEWYRINCEZDCOQ-ZETCQYMHSA-N 197.286 0.187 30 20 ACED C[C@@H](C#N)CNC(=O)c1ncccn1 742253228 KCHZBYOXZIKSRX-ZETCQYMHSA-N 190.206 0.366 30 20 ACED C#CC(=O)N[C@@H](CCCC)C(=O)OC 760972778 DNMPHDZFJUNHOO-QMMMGPOBSA-N 197.234 0.468 30 20 ACED C#C[C@H](C)NC(=O)c1ncoc1CC 772977418 VXYVPVSBJNYEIN-ZETCQYMHSA-N 192.218 0.989 30 20 ACED CCc1nocc1C(=O)NCCC#N 834652767 WSVLMCZTRLWTAP-UHFFFAOYSA-N 193.206 0.880 30 20 ACED C#CCNN=C1CCN(C)[C@H](C)C1 835008295 UYZOUDAPEGLQPY-SECBINFHSA-N 179.267 0.679 30 20 ACED N#CCCN[C@H](CO)C1CC1 843080126 PWCLBZZKBVXUBB-MRVPVSSYSA-N 154.213 0.261 30 20 ACED C#C[C@H](CC)NC(=O)NCC[C@H](C)O 854073029 PCJQBLTVILUHEE-DTWKUNHWSA-N 198.266 0.468 30 20 ACED C#CC(C)(C)NC(=O)/C=C/COC 865833921 ILQJDDPDUQFJCR-VOTSOKGWSA-N 181.235 0.717 30 20 ACED C#C[C@H](C)N[C@@H](C)COC(C)=O 894383368 IUGPOKTZXRDEJJ-YUMQZZPRSA-N 169.224 0.549 30 20 ACED N#Cc1nccnc1N1CC2(CC2)C1 895291222 KJPQGTKXPMWLLK-UHFFFAOYSA-N 186.218 0.948 30 20 ACED C#CC1(O)CN(C[C@H]2CCSC2)C1 898145011 SSWCRFWWEWQAHE-SECBINFHSA-N 197.303 0.419 30 20 ACED C#CCOC(=O)[C@H]1CCN(C)C(=O)C1 912704596 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170.256 0.534 30 20 ACED C[C@H](C#N)CNC(=O)Cn1cccn1 225759839 XCMPSEAMCIFUBU-MRVPVSSYSA-N 192.222 0.159 30 20 ACED CCN(CCC#N)C(=O)C(C)(C)O 230103093 VBYGUYSYSZIFOU-UHFFFAOYSA-N 184.239 0.519 30 20 ACED CN1CCC[C@H](NCC2(C#N)CC2)C1 259022592 YOGUSVPMBQRJKV-JTQLQIEISA-N 193.294 0.974 30 20 ACED O=CC1(CCO)CC1 306378647 SXXIDUVRJBJOOQ-UHFFFAOYSA-N 114.144 0.348 30 20 ACED O=C(CC1(O)CCCCC1)NO 306397206 HXNHCAGVTBYZKI-UHFFFAOYSA-N 173.212 0.577 30 20 ACED C=CCNc1nn(C)cc1C(N)=O 306544280 XSRUJFCGLLBZJM-UHFFFAOYSA-N 180.211 0.117 30 20 ACED C#CCN1CCOC[C@@H](C)C1 306579190 WXDZXJMXKFPOMJ-VIFPVBQESA-N 153.225 0.588 30 20 ACED C#CC(=O)N1C[C@@H](C)C[C@H]1C 306701982 ZQKCEUHKKRQJAG-JGVFFNPUSA-N 151.209 0.877 30 20 ACED O=C[C@]1(CO)CCCS1 306730062 PCBDIGHSEFDDMR-LURJTMIESA-N 146.211 0.443 30 20 ACED C[C@H]1C[C@@H](O)CN(C(=O)[C@@H](C)C#N)C1 307065885 SRCSVDRISCJQIK-XHNCKOQMSA-N 196.250 0.375 30 20 ACED C[C@@H](C#N)Sc1n[nH]c(CO)n1 307098890 FKTCFOSOOYPWFP-BYPYZUCNSA-N 184.224 0.301 30 20 ACED C[C@@H]1CCC[C@@]1(CN)[C@](C)(O)C=O 307252287 RWMWHNZDXFQMNN-BBBLOLIVSA-N 185.267 0.701 30 20 ACED CC#CCOC(=O)C1=COCC1 307583033 XIIFSMUSSNHPFR-UHFFFAOYSA-N 166.176 0.857 30 20 ACED C#CCN(C)C(=O)/C=C/SC 307758810 PVMVAONOIKQTDW-FNORWQNLSA-N 169.249 0.955 30 20 ACED CC[C@H](O)CNC(=O)CCCC#N 308172342 BTGTUUNJDXIAMI-QMMMGPOBSA-N 184.239 0.567 30 20 ACED CCN(CC#N)C(=O)C(C)(C)C#N 308388864 YOMJYKKJJPPOSK-UHFFFAOYSA-N 179.223 0.908 30 20 ACED CC(C)(O)[C@@H]1CCCN1C(=O)CC#N 334681529 ALCGOGVCXOYECP-QMMMGPOBSA-N 196.250 0.662 30 20 ACED COC(=O)[C@]1(C)CCCN(CC#N)C1 334718881 JRTRISIEMPLMTQ-SNVBAGLBSA-N 196.250 0.785 30 20 ACED C=CCC(C)(C)C(=O)NOCCO 378866160 BBHLHYPPJQXFHR-UHFFFAOYSA-N 187.239 0.629 30 20 ACED CC#CC(=O)N(CCCO)C1CC1 379398511 FTDDROPNWCTZHB-UHFFFAOYSA-N 181.235 0.383 30 20 ACED C#CC(=O)NC[C@](C)(OC)C1CC1 379398740 YXQZLBCPGSRKSZ-JTQLQIEISA-N 181.235 0.551 30 20 ACED C=C(C)CN(C[C@H](C)O)[C@H](C)CO 379410010 FFEBZPZDIAATGB-ZJUUUORDSA-N 187.283 0.626 30 20 ACED C#CCONC(=O)[C@@H](C)CSC 388433418 ONGGRVZGDLEKPD-ZETCQYMHSA-N 187.264 0.667 30 20 ACED C[C@H](C#N)CNC(=O)[C@](C)(O)C1CC1 587384060 OBHGQWICVSSWMC-GMSGAONNSA-N 196.250 0.423 30 20 ACED C=CCCSCCNC(=O)CN 595961911 WNPTWFQRMRRXJF-UHFFFAOYSA-N 188.296 0.371 30 20 ACED C=C[C@](C)(O)C(=O)N[C@H](C)C1CC1 615704007 VUWLVGSMHIGODW-XCBNKYQSSA-N 183.251 0.838 30 20 ACED C=C[C@](C)(O)C(=O)N1N[C@H]2CC[C@H]1C2 628854702 QPASUDMOCOQOKQ-NRPADANISA-N 196.250 0.191 30 20 ACED C=CCCNC(=O)N[C@H](C)C[C@@H](C)N 659554840 IDWXZHRFXSZEIR-RKDXNWHRSA-N 199.298 0.988 30 20 ACED C=CCN(C)C(=O)Cn1cc(C)cn1 681674568 QMKGPOKVYQVWOO-UHFFFAOYSA-N 193.250 0.836 30 20 ACED C#C[C@H](C)NC(=O)[C@]12C[C@H](N)C[C@H]1C2 713046283 NQOJTODJUIUZSQ-WYOJIJJFSA-N 192.262 0.252 30 20 ACED N#CCN1CCC(c2nc[nH]n2)CC1 751500366 ZJFAHJSYEIAOMU-UHFFFAOYSA-N 191.238 0.508 30 20 ACED CC#CC(=O)NCc1ncc(CC)o1 801196648 BSGZUKMNOBEMET-UHFFFAOYSA-N 192.218 0.877 30 20 ACED C#CCN(CC)CCO[C@H](C)C#N 801924442 PGCFINAKVQKVTQ-SNVBAGLBSA-N 180.251 0.870 30 20 ACED C#CCCCC(=O)N[C@@H]1COC(=O)C1 816679359 RNAZQVUPQJDKSL-QMMMGPOBSA-N 195.218 0.222 30 20 ACED C=C[C@@](C)(O)C(=O)NOCC(F)F 832185910 LCCKBYKSUJVUFE-SSDOTTSWSA-N 195.165 0.236 30 20 ACED C#C[C@@H](C)N(C)CCc1cncn1C 838972396 VLCATUJCSCGMCN-SNVBAGLBSA-N 191.278 0.916 30 20 ACED C=CCNC(=N)NCc1cocn1 849006894 CUNQKFVQFSXPLP-UHFFFAOYSA-N 180.211 0.475 30 20 ACED C=CCNC(=N)NC[C@@H]1CC[C@H](C)O1 849039751 QIANWOVRMMSFPR-IUCAKERBSA-N 197.282 0.854 30 20 ACED C#CCOCCN1CCC[C@@H]1CCO 851956850 JLLGOIPPQJCMTE-LLVKDONJSA-N 197.278 0.483 30 20 ACED CC(C)(C)C#CC(=O)NC/C=C/CO 855402357 XZSGSXNXHBUBAX-SNAWJCMRSA-N 195.262 0.701 30 20 ACED C[C@@H](O)CSc1cncc(C#N)n1 882737482 MQBMKFWPGNYVGO-ZCFIWIBFSA-N 195.247 0.821 30 20 ACED C#C[C@]1(N)CCSC1 885222623 KPRRQOPGKJMWJH-LURJTMIESA-N 127.212 0.454 30 20 ACED C=C(C)CNC(=O)[C@@H]1[C@H]2CCC(=O)[C@H]21 907521366 ZEAMXFLVTSYOGF-UJNFCWOMSA-N 193.246 0.904 30 20 ACED C=CCC[C@H](O)CN1C[C@@H](N)[C@H](C)C1 923364923 AULCLTRSBMNFHQ-OUAUKWLOSA-N 198.310 0.593 30 20 ACED C#CCN1C(=O)N[C@@H](CCC=C)C1=O 925275741 UKZXYSHWXIRYKY-QMMMGPOBSA-N 192.218 0.506 30 20 ACED C=C[C@](C)(O)C(=O)N[C@@H]1COC[C@@H]1C 928915579 DENMHFOMANXTFZ-XKSSXDPKSA-N 199.250 0.075 30 20 ACED C[C@@H]1COCCN(C[C@H](O)CC#N)C1 930086099 NHGDOVUEXJBLCH-VHSXEESVSA-N 198.266 0.229 30 20 ACED C#CC1(O)CN(CCC(C)(C)C#N)C1 934450329 YFYKXWXXQQYNBA-UHFFFAOYSA-N 192.262 0.606 30 20 ACED C[C@H](C#N)C(=O)NCc1cn(C)cn1 952995911 QWUCBRNYQZONJJ-SSDOTTSWSA-N 192.222 0.196 30 20 ACED C#CCNCCNC(=O)C(F)=C(C)C 1125619617 DGVCHXNNXKNRHF-UHFFFAOYSA-N 198.241 0.589 30 20 ACED C=C(C)CCC(=O)NCC(=O)NCC 1262788421 BUMOFJLDIAZERC-UHFFFAOYSA-N 198.266 0.595 30 20 ACED C=C(CO)C(=O)N1CCOCC[C@@H]1C 1334059462 IJWBOIKZXQPNMQ-VIFPVBQESA-N 199.250 0.172 30 20 ACED C=C(C)[C@H](CO)SCC(=O)O 1588441047 DMCYPZAYQNUEMO-LURJTMIESA-N 176.237 0.741 30 20 ACED C[C@H](C#N)COC(=O)C(C)(C)C(=O)O 1588543227 JGQRGNJURJGDAA-ZCFIWIBFSA-N 199.206 0.800 30 20 ACED C[C@@H](CC#N)C(=O)N(C)CC(=O)O 1588988119 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170.212 0.033 30 20 ACED C#CCCCNC(=O)CCC(=O)O 227553433 UTPHJEMPTIXJKI-UHFFFAOYSA-N 183.207 0.381 30 20 ACED CC#CC(=O)NCC(C)(C)CCO 227879099 QHVYUQNAKVUISE-UHFFFAOYSA-N 183.251 0.535 30 20 ACED C=C[C@H](C(=O)O)N1CCOC(C)(C)C1 301052954 XEYYKULYRICAMH-MRVPVSSYSA-N 199.250 0.736 30 20 ACED CC#CC(=O)N1CCSC[C@H]1C 306497323 ROTSAEDEAHSYEH-MRVPVSSYSA-N 183.276 0.974 30 20 ACED C#CCNC(=O)N1C2CCC1CC2 306925898 NXHQZZVMQVNVSH-UHFFFAOYSA-N 178.235 0.956 30 20 ACED COC[C@@]1(C(C)C)O[C@@H]1C#N 307198519 VGWIZYPXRINWBJ-SFYZADRCSA-N 155.197 0.950 30 20 ACED CC#CCSCCS(C)(=O)=O 307645283 XXTFLXZYMWOJLV-UHFFFAOYSA-N 192.305 0.788 30 20 ACED C#CCN(C)C(=O)c1csc(=O)[nH]1 307678550 KZJWUYBVPOYOOW-UHFFFAOYSA-N 196.231 0.142 30 20 ACED C#CCNC(=O)N(C)OCC 307695147 ZMGRSIBOQDUMDL-UHFFFAOYSA-N 156.185 0.213 30 20 ACED C#C[C@@H](CC)NC(=O)NCCF 307946369 JQPKVUULIZKKFM-ZETCQYMHSA-N 172.203 0.667 30 20 ACED CCC1(C(=O)OCC#N)COC1 307946772 KCXCQPSOYGDUTC-UHFFFAOYSA-N 169.180 0.480 30 20 ACED CCOCCON=Cc1cnc[nH]1 308318210 YNHCTSAGONBLFD-UHFFFAOYSA-N 183.211 0.797 30 20 ACED C#C[C@@H](CC)NC(=O)[C@H](CC)CO 308369862 PSLHYPVARVZTSI-BDAKNGLRSA-N 183.251 0.533 30 20 ACED CO[C@@H](C)CNC(=O)NCCC#N 308436658 WWLQOEBGAUIOJO-ZETCQYMHSA-N 185.227 0.234 30 20 ACED C[C@@H](C#N)C(=O)N1CCC[C@H]1CCO 335557190 RUZFZFYUOLHECI-IUCAKERBSA-N 196.250 0.519 30 20 ACED C#CCON=Cc1ccc(C(=O)O)[nH]1 379610317 SWGRKPOIPUVIBM-UHFFFAOYSA-N 192.174 0.697 30 20 ACED C=CCN(C)[C@H](C(=O)O)C1CC1 383723934 KQXDRDBAQQBNCJ-QMMMGPOBSA-N 169.224 0.967 30 20 ACED C#CCN(C)CC(OC)OC 388120174 KHGHXTWVOQKTNZ-UHFFFAOYSA-N 157.213 0.170 30 20 ACED C[C@@H](CC#N)N(C)Cn1cnnc1 388643666 PNBGVQGJSGBOIE-QMMMGPOBSA-N 179.227 0.470 30 20 ACED C=C[C@H](C)ONC(=O)CCC(C)=O 400950960 XORPLUKVMGGTKZ-QMMMGPOBSA-N 185.223 0.978 30 20 ACED Cc1cc(C#CCCCO)ncn1 585144838 ISZSFCNBVARTTD-UHFFFAOYSA-N 176.219 0.909 30 20 ACED CC(C)(CC#N)CNCCC(N)=O 591770234 NSYJKGWHIBYXPO-UHFFFAOYSA-N 183.255 0.391 30 20 ACED C[C@@]1(CNCCC#N)CCC(=O)N1 591771115 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766728565 NNPMYDGIELPSOA-JTQLQIEISA-N 196.250 0.176 30 20 ACED C#C[C@@H](C)NC(=O)c1ccnn1CC 775465147 SRVJNYNBGWOVEH-MRVPVSSYSA-N 191.234 0.655 30 20 ACED C#CCN1CCN(C[C@@H](C)O)C[C@@H]1C 779475160 JWIAUJAERQJVML-WDEREUQCSA-N 196.294 0.007 30 20 ACED C#CCCn1ccc2ncncc2c1=O 783077211 QPNMJEKZKMOCBB-UHFFFAOYSA-N 199.213 0.815 30 20 ACED C#CCOCCC(=O)NC[C@@H](C)OC 785427355 LYTFHIKSBINKCZ-SECBINFHSA-N 199.250 0.177 30 20 ACED COCCCNN=Cc1cnccn1 807986309 HUHZLARUNXLJSY-UHFFFAOYSA-N 194.238 0.437 30 20 ACED CCc1nocc1C=NOCC(N)=O 814893305 LSIWAPAGWXSOAV-UHFFFAOYSA-N 197.194 0.073 30 20 ACED C#CCN(C(=O)N[C@H](C)C#C)C1CC1 820399035 BHXDNUYTWRZPTA-SECBINFHSA-N 190.246 0.815 30 20 ACED C#C[C@H](C)NC(=O)NCC[C@@H](O)CC 820421937 AJKLDBTWPJUNPT-IUCAKERBSA-N 198.266 0.468 30 20 ACED C#CCO[C@@H](C)C(=O)N(CC)CC 822134746 UYOGZUJYXSIVKT-VIFPVBQESA-N 183.251 0.893 30 20 ACED C#CCOCCN[C@@H]1CSC[C@@H]1C 824153511 NHYOHTHBMLCFKF-VHSXEESVSA-N 199.319 0.977 30 20 ACED O=C(C#CC1CC1)OCCCCO 838367568 NQUSODOGUYQAPJ-UHFFFAOYSA-N 182.219 0.716 30 20 ACED C=C(C)CONC(=O)NOC 844286543 ZSXUACTYOWTGCX-UHFFFAOYSA-N 160.173 0.355 30 20 ACED C=C(C)CONC(=O)[C@H]1CCN(C)C1 846534171 VJAVITSGGKTPTM-VIFPVBQESA-N 198.266 0.562 30 20 ACED C/N=C(/NCC[C@H](C)OC)NC1CC1 849001423 YOSCERMETXHNFG-QMMMGPOBSA-N 199.298 0.739 30 20 ACED C#CCCOC(=O)NCC(C)(C)O 859006447 NTVZVFMUEXACJW-UHFFFAOYSA-N 185.223 0.507 30 20 ACED C1CN(N=C2CCOC2)C1 872396331 CVHHNAUYWAVJCH-UHFFFAOYSA-N 140.186 0.468 30 20 ACED C=C1CN(C(=O)C[C@@H](O)CCC)C1 912447049 ABHRRJVVTJDSJR-VIFPVBQESA-N 183.251 0.936 30 20 ACED C#CC1(O)CN(C[C@@H]2CCCOC2)C1 934445861 SHYNDSCJTRTDFL-JTQLQIEISA-N 195.262 0.093 30 20 ACED C#CCN1CC(N(CC)C(C)=O)C1 949542368 FUTIWXMRDGGFMH-UHFFFAOYSA-N 180.251 0.172 30 20 ACED CC#CCN[C@@H](C)C[C@@H](C)NC(C)=O 1133436082 GNCOXUYVHXZIPM-VHSXEESVSA-N 196.294 0.903 30 20 ACED C#CCOCCN(C)Cc1ccno1 1319657535 WVNJQGPXIPZTEL-UHFFFAOYSA-N 194.234 0.756 30 20 ACED CON=C(N)c1cc(C)ccn1 1349786441 KEENFXBDSSCABG-UHFFFAOYSA-N 165.196 0.657 30 20 ACED C=C1CN(C(=O)N[C@H]2CCN[C@@H]2C)C1 1574871368 UOFIBNFWGGVNPX-BDAKNGLRSA-N 195.266 0.318 30 20 ACED C=C(C)[C@@H](CO)SCC(=O)O 1588441048 DMCYPZAYQNUEMO-ZCFIWIBFSA-N 176.237 0.741 30 20 ACED C[C@H](NC(=O)CCCC#N)C(=O)O 1594234736 IEZZBKDXLVUCJG-LURJTMIESA-N 184.195 0.270 30 20 ACED CC[C@@](C)(C#N)NC(=O)CC(=O)O 1594777769 DIRAQXJRXNLCKX-QMMMGPOBSA-N 184.195 0.270 30 20 ACED CN(CC#N)C(=O)[C@H]1C[C@@H](C(=O)O)C1 1598375738 HJYHOKBHYMMJRW-KNVOCYPGSA-N 196.206 0.079 30 20 ACED C[C@H](Nc1ccc(C#N)cn1)C(=O)O 35407333 PYGTYSFXAPMZFS-LURJTMIESA-N 191.190 0.838 30 20 ACED N#CCNC(=O)c1cccc(C#N)c1 37714277 QMYJKOHWPXLBRF-UHFFFAOYSA-N 185.186 0.812 30 20 ACED C[C@H](CC#N)NC[C@H]1CCOC1 38094308 QGESMIVLPCZPQK-RKDXNWHRSA-N 168.240 0.915 30 20 ACED C[C@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H](C)O1 44808897 PFJQCHZJAHOJAE-XHNCKOQMSA-N 196.250 0.782 30 20 ACED CC#CCN1CCC(C(=O)O)CC1 51664329 GGTYZGWXXDNCEO-UHFFFAOYSA-N 181.235 0.806 30 20 ACED C[C@@H](C#N)CNC(=O)[C@H]1CCCCO1 54157438 AXBJPHRZLBQKJV-DTWKUNHWSA-N 196.250 0.831 30 20 ACED N/C(=N/O)[C@@H]1C[C@H]2CC[C@H]1O2 112144345 AADMQRJRBIMONJ-HSUXUTPPSA-N 156.185 0.300 30 20 ACED C=CCCNC(=O)N[C@H]1CCOC1 162412956 BDKNQOOSFZILGY-QMMMGPOBSA-N 184.239 0.651 30 20 ACED CO[C@@H](C)CNCCC#N 224200072 YLYLCBVQSNHDAM-ZETCQYMHSA-N 142.202 0.525 30 20 ACED CC#CCNC(=O)C(F)F 232469757 MJJNUFATHCBASG-UHFFFAOYSA-N 147.124 0.391 30 20 ACED CC#CC(=O)N1CCC[C@@H]1C(=O)O 232590377 JSZOTVZXMIPPRE-SSDOTTSWSA-N 181.191 0.085 30 20 ACED CC[C@H](C)[C@H](NCC#N)C(=O)OC 238271499 PHFFKZRFFZJLFK-YUMQZZPRSA-N 184.239 0.687 30 20 ACED N#C[C@@H]1CN([C@H]2CCCOC2)CCO1 259834950 XWENARAIDQINQV-VHSXEESVSA-N 196.250 0.390 30 20 ACED C=C[C@@H](SCCO)C(=O)O 301045424 YAPVAAHRKRUTKZ-RXMQYKEDSA-N 162.210 0.351 30 20 ACED C#CCN1CCCC[C@H]1[C@@H](C)O 306167872 JGWYUAKFVXEBCP-ZJUUUORDSA-N 167.252 0.855 30 20 ACED CC1(C)C[C@@H]1C(=O)NCC#CCO 306219927 NOSDRJZECQEMMD-MRVPVSSYSA-N 181.235 0.144 30 20 ACED C[C@H](CO)Sc1cc(C#N)ncn1 306360188 LVXAXNZHOMWLLT-ZCFIWIBFSA-N 195.247 0.821 30 20 ACED C[C@@H]1[C@H](N(C)C)CCN1CCC#N 306547217 FAVMFCYXXDGLIV-NXEZZACHSA-N 181.283 0.924 30 20 ACED C#C[C@H](N[C@H]1CCOC1)[C@H]1CCCO1 306596766 YYTWKBOURTTWAC-GARJFASQSA-N 195.262 0.546 30 20 ACED N#Cc1cc(-n2ccnc2)ncn1 306779313 VQYGASQTXNHZPG-UHFFFAOYSA-N 171.163 0.534 30 20 ACED CCC1(NC(=O)CC#N)CCOCC1 307083672 QWVFIADKCWOHCU-UHFFFAOYSA-N 196.250 0.975 30 20 ACED CO[C@H](C)CN1CC[C@@](F)(C#N)C1 307519610 NTGZLGNBXKCIHY-RKDXNWHRSA-N 186.230 0.959 30 20 ACED C#CC(=O)Nc1cnns1 307583045 XJZQSTKQLJFSOB-UHFFFAOYSA-N 153.166 0.110 30 20 ACED CCO[C@H](C)C(=O)O[C@@H](C)C#N 307995809 WEKDKLSDZRSSQZ-NKWVEPMBSA-N 171.196 0.867 30 20 ACED CC[C@@H](CNC(=O)C=NOC)OC 308497856 UWYZSNQDKQLIKV-ZETCQYMHSA-N 188.227 0.160 30 20 ACED C=CCCN[C@@H](CO)C1CCOCC1 308551965 YTRMXMFFTNDMCG-NSHDSACASA-N 199.294 0.940 30 20 ACED CC#CCN1[C@H]2CC[C@H]1COC2 334796897 IVKYBZAKYHAMNJ-UWVGGRQHSA-N 165.236 0.873 30 20 ACED C=CCN1CCC[C@@H](OCCO)C1 379375721 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0.624 30 20 ACED CC#CC[C@@H](CO)NC(=O)[C@H](C)C#N 592926704 VSJRGCZDXFSQJL-BDAKNGLRSA-N 194.234 0.037 30 20 ACED CC[C@H](C#N)C(=O)N(C)CC#N 593442097 OJCIAWUYTRZADG-SSDOTTSWSA-N 165.196 0.518 30 20 ACED N#Cc1nccc(N2CC(F)C2)n1 594570714 URCZNDLMLQMFAS-UHFFFAOYSA-N 178.170 0.506 30 20 ACED CCN1CC[C@H](N(C)CC#N)C1=O 595305709 JGAXIWAGHDYZTJ-QMMMGPOBSA-N 181.239 0.063 30 20 ACED C=CCNC(=O)[C@@H](C)N[C@H](C)CC#N 602861910 ICXNTMBBEPGBNB-RKDXNWHRSA-N 195.266 0.569 30 20 ACED CCC(O)(CC)CCNC(=O)CC#N 616026271 OLCNWIVAGMUWKP-UHFFFAOYSA-N 198.266 0.957 30 20 ACED C=CC(C)(C)C(=O)NC/C=C/CO 617682286 JOGDMXWTPVZEFD-AATRIKPKSA-N 183.251 0.863 30 20 ACED C=C[C@H](CO)NC[C@H]1CCO[C@H]1C 639864818 KOQHHJOHNIKHKM-IVZWLZJFSA-N 185.267 0.548 30 20 ACED C=CCOCCN1CCNC(=O)[C@@H]1C 645082688 RJLZCBVEYXZSHE-VIFPVBQESA-N 198.266 0.009 30 20 ACED C=C(C)CCNC(=O)N[C@@H](C)CNC 659499208 FILUGTNMJFFKEI-VIFPVBQESA-N 199.298 0.860 30 20 ACED C=CC[C@@H](C)NC(=O)[C@H]1C[C@H](N)C1 662613789 KJEQTSWRRFRFKH-IWSPIJDZSA-N 182.267 0.805 30 20 ACED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CO 684783017 QHGUDCSPMSLUHK-PSASIEDQSA-N 199.250 0.076 30 20 ACED COCC#CCN[C@@H](C(=O)O)C(C)C 694739199 LKDJNBIRKOPYGV-SECBINFHSA-N 199.250 0.335 30 20 ACED C#CC[C@H](CO)NC(=O)CCC=C 717769570 ISCSGRGNVJYURP-SECBINFHSA-N 181.235 0.453 30 20 ACED C#CCNC(=O)N[C@](C)(CC)CCO 762583025 OYIOZIQTALGBLR-SNVBAGLBSA-N 198.266 0.470 30 20 ACED C#C[C@H](C)N(C)C(=O)[C@@H]1CCN(C)C1 769645772 MEKIFJVFGLQDEW-VHSXEESVSA-N 194.278 0.418 30 20 ACED CCC(COC)=NNC1=NC[C@@H](C)N1 779792296 KQALKTUZNIDCLX-SSDOTTSWSA-N 198.270 0.336 30 20 ACED C#C[C@H](CC)NC(=O)c1[nH]nnc1C 790063534 PNZWNJNGTVQHQK-SSDOTTSWSA-N 192.222 0.255 30 20 ACED C#CCONC(=O)[C@H]1CCCCN1C 812786635 QJHIEEQCPHTUTM-SECBINFHSA-N 196.250 0.152 30 20 ACED C#CCONC(=O)[C@]1(C)CCCOC1 812787257 KACCPUOWPYUAJB-SNVBAGLBSA-N 197.234 0.484 30 20 ACED C#CCN(C)C(=O)c1nc(C)oc1C 816447975 PYFZMULTOJSJPO-UHFFFAOYSA-N 192.218 0.997 30 20 ACED C#C[C@@H](NC(=O)N[C@@H](C)CO)C(C)C 821567689 URVWDWQLTCZLDG-DTWKUNHWSA-N 198.266 0.324 30 20 ACED C=C[C@@H](O)C(=O)N(CC)OCC 831459237 XWQDKNSZJINGCV-SSDOTTSWSA-N 173.212 0.333 30 20 ACED C#CCOC(=O)[C@H](CCC)OC 835078532 MTBXXMPIWMWUFU-QMMMGPOBSA-N 170.208 0.978 30 20 ACED C=C[C@@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] 842341229 WFKCIGZTLZCQQI-FSDSQADBSA-N 185.179 0.769 30 20 ACED CC#CCNC(=O)/C=C/OCC 847625390 KEBJEFQBMJUVKU-SOFGYWHQSA-N 167.208 0.676 30 20 ACED C=CC[C@H](CO)CNC(=N)N(C)C 849015696 KEJBOXMTFHDMST-QMMMGPOBSA-N 185.271 0.257 30 20 ACED C#CCOCCN1CC[C@@H](O)[C@H](C)C1 851956906 KHSUSWLTTKWNDD-GHMZBOCLSA-N 197.278 0.339 30 20 ACED CC#CCN(C)C(=O)C(C)(C)C(=O)O 911703234 MLOCFHOCAVLEKJ-UHFFFAOYSA-N 197.234 0.579 30 20 ACED C#CCCNC(=O)c1cn(CC)nn1 932787282 BCCNDWOZVZJGHK-UHFFFAOYSA-N 192.222 0.051 30 20 ACED C=C(CC)C(=O)NCC1(CO)CC1 1123665337 JTRZLEMJPOUCJE-UHFFFAOYSA-N 183.251 0.841 30 20 ACED C=C(CO)C(=O)N1CC[C@@H]1C 1339820398 XSZXSSHQDGDCIC-ZETCQYMHSA-N 155.197 0.156 30 20 ACED C=C[C@H](COC)NC(=O)c1cocn1 1342745199 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C[C@@](O)(CC(=O)NCCC#N)C1CC1 787619008 MUIBZDDUUYHKHE-SNVBAGLBSA-N 196.250 0.567 30 20 ACED C#CCN1CCOC[C@H]1[C@@H]1CCCO1 796340347 LAVANYOHVUEELH-QWRGUYRKSA-N 195.262 0.499 30 20 ACED CC#CC(=O)N(CC(C)(C)O)C1CC1 801202576 GNLCBAXGPJMEJT-UHFFFAOYSA-N 195.262 0.772 30 20 ACED CCN(CCO)C(=O)C#CC(C)C 821352413 KYFLIMPFNUNNAE-UHFFFAOYSA-N 183.251 0.487 30 20 ACED CC(C)C#CC(=O)N[C@@H](C)C#N 824241442 YWILPPBGPNTGFH-QMMMGPOBSA-N 164.208 0.674 30 20 ACED C#CCO[C@@H](C)C(=O)N1CC=CCC1 828012421 ORVSDTADTWTDAI-JTQLQIEISA-N 193.246 0.813 30 20 ACED C#C[C@H](C)NC(=O)[C@H](CC)[C@@H](C)O 842251361 PZJZVZCEOQZTCU-DJLDLDEBSA-N 183.251 0.531 30 20 ACED C#CC(=O)N1CCOC[C@@H]1C1CCC1 844036301 HTCBROSEVBMTBS-SNVBAGLBSA-N 193.246 0.647 30 20 ACED CC(=NNC[C@@H](C)C#N)c1cnc[nH]1 853323806 MNEAWQXYZQTQMW-ZETCQYMHSA-N 191.238 0.883 30 20 ACED CCCc1cc(C(=O)NO)cc(O)n1 892164750 KHVMULVRDOZDGT-UHFFFAOYSA-N 196.206 0.859 30 20 ACED C=C[C@H](CO)NC[C@](C)(OC)C1CC1 895340281 NTRSKDYZYJPDCS-MNOVXSKESA-N 199.294 0.938 30 20 ACED C=C1CN(C(=O)NCC(F)F)C1 931633939 LSRIUWCPBVNIMO-UHFFFAOYSA-N 176.166 0.833 30 20 ACED CC(=O)N(C)C1CC(NCC#N)C1 998324553 QHGZIXDWKOAJNL-UHFFFAOYSA-N 181.239 0.109 30 20 ACED CC(=O)N[C@H]1CCCCN(CC#N)C1 1034056098 HHFRBGGOMIKPQH-JTQLQIEISA-N 195.266 0.501 30 20 ACED C#CCCNC(=O)[C@@H](F)CC 1337077249 WEARMECHFIPPJD-ZETCQYMHSA-N 157.188 0.874 30 20 ACED C#CCN[C@@H](CC=C)C(=O)O 1588485567 XNKDITCHKUWCTE-ZETCQYMHSA-N 153.181 0.239 30 20 ACED N#CC[C@@H](O)CSc1nc[nH]n1 1643506711 IGGOHRCIUKCSMO-RXMQYKEDSA-N 184.224 0.171 30 20 ACED C[C@H](C#N)CN(C)C(N)=O 42266175 QEBOSYQQPCBJTL-RXMQYKEDSA-N 141.174 0.157 30 20 ACED C[C@H](C#N)C(=O)N1CCC[C@H](O)C1 44824538 XYNBHVISKFLOAM-SFYZADRCSA-N 182.223 0.129 30 20 ACED C=CCNS(=O)(=O)N(CC)CC 70225356 LQFMALCKCDEUJH-UHFFFAOYSA-N 192.284 0.349 30 20 ACED C=CCN1CC[C@H](CCN)C1 77260842 KQDKOIIBRFFYTL-VIFPVBQESA-N 154.257 0.843 30 20 ACED C#CCNC[C@H](O)C(F)(F)F 82680456 MYFMKPRRNAVTQO-YFKPBYRVSA-N 167.130 0.132 30 20 ACED CC[C@H](C#N)C(=O)N[C@@H](C)CCO 133281415 AHSIZSNMTIZTEY-JGVFFNPUSA-N 184.239 0.423 30 20 ACED C[C@H](O)C[C@@H](C)NC(=O)[C@@H](C)C#N 164882559 HZCYJWQVPYNUBQ-RNJXMRFFSA-N 184.239 0.422 30 20 ACED C#C[C@H](C)NC(=O)C1CCOCC1 165269162 OXKHWWLKEVPNRE-QMMMGPOBSA-N 181.235 0.551 30 20 ACED C=C(C)CNC(=O)[C@@H]1CCC(=O)NC1 167669440 CVIGNTGFIMPZBJ-MRVPVSSYSA-N 196.250 0.205 30 20 ACED C#C[C@@H](CC)NCc1cc[nH]n1 229881601 WAGGFIINGVSRSB-QMMMGPOBSA-N 163.224 0.911 30 20 ACED C[C@@H](C#N)C(=O)N[C@H]1CCO[C@H](C)C1 300360318 WYMKHJYBHUVBCL-YIZRAAEISA-N 196.250 0.830 30 20 ACED C#CCN(CC#N)C(=O)CCC(C)=O 300921297 ZOAMGBRCRHFRSU-UHFFFAOYSA-N 192.218 0.341 30 20 ACED CC#CC(=O)NCc1nccs1 306257713 QUAPCRTZSRMEDY-UHFFFAOYSA-N 180.232 0.783 30 20 ACED C=CCn1cnc2c(c1=O)CCCN2 306336294 SSTCFVCVPUYALI-UHFFFAOYSA-N 191.234 0.787 30 20 ACED CCCNN=C1CCS(=O)CC1 306640987 LIPJGVDKKJDYGM-UHFFFAOYSA-N 188.296 0.885 30 20 ACED CC#CCCN1C[C@@H]2C[C@@]2(CO)C1 306757656 NOFSDVAUWWDUJP-QWRGUYRKSA-N 179.263 0.714 30 20 ACED C=C(CO)C(=O)N1CCC(C)CC1 307069854 UTOGEHKUMBRVOL-UHFFFAOYSA-N 183.251 0.793 30 20 ACED CN(C)C1CN(C(=O)C(C)(C)C#N)C1 307148068 PXGBRKKJANXFNV-UHFFFAOYSA-N 195.266 0.309 30 20 ACED C#CC(=O)N1C[C@H](C)S[C@@H](C)C1 307196061 SPVCGHMPAINWMH-YUMQZZPRSA-N 183.276 0.972 30 20 ACED C=C(CO)C(=O)Nc1cccnc1 307479827 JUVZUQSSIRKNBF-UHFFFAOYSA-N 178.191 0.569 30 20 ACED CC#CCN(CC)[C@@H](C)CO 307656235 PXPVNHIRVFLOCW-VIFPVBQESA-N 155.241 0.712 30 20 ACED C=C(CC)Cn1nnnc1C 307677183 INILFAWWJKYIRK-UHFFFAOYSA-N 152.201 0.948 30 20 ACED C=CCNC(=O)C[C@@H](O)CCC 307968585 FCXWMBALILDEHL-QMMMGPOBSA-N 171.240 0.840 30 20 ACED C=CCCOC(=O)[C@H](O)C1CC1 308094903 XHXYYWDLKKROOX-MRVPVSSYSA-N 170.208 0.877 30 20 ACED C=C[C@H](CO)NC(=O)CC(C)(F)F 308287758 ZUSRZFKMYLCKSG-ZCFIWIBFSA-N 193.193 0.695 30 20 ACED C#CCN(CC)CC(=O)NC1CC1 308413683 MLWCRHGUGUOOHG-UHFFFAOYSA-N 180.251 0.220 30 20 ACED C[C@]1(F)CCN(CC(=O)NCC#N)C1 336146708 ROYBKBHWWKXERB-VIFPVBQESA-N 199.229 0.060 30 20 ACED Cc1cc(CNCCC#N)n[nH]1 379327838 MQPKMPUYVZDJED-UHFFFAOYSA-N 164.212 0.721 30 20 ACED C=CCOCCN[C@H](C(=O)O)C1CC1 379497711 CFCRQSDLDGKBQU-VIFPVBQESA-N 199.250 0.642 30 20 ACED C#C[C@@](C)(CC)NC(=O)CNC(C)=O 384225265 UZKBHIZDVZRIID-JTQLQIEISA-N 196.250 0.041 30 20 ACED C[C@@H](O)C#Cc1cnn(C)c1 585143590 CODGTTSSZVKFOH-SSDOTTSWSA-N 150.181 0.152 30 20 ACED C[C@H]1C[C@H](O)CN1C(=O)CCCC#N 589715817 HGVHULBZXHXWDA-IUCAKERBSA-N 196.250 0.662 30 20 ACED N#Cc1cnc(NCCCO)c(F)c1 591136784 CTDBKPMDRJUOGX-UHFFFAOYSA-N 195.197 0.887 30 20 ACED N#Cc1cncc(N2CCCCO2)n1 591934598 ZIMSFIFVWBFDGK-UHFFFAOYSA-N 190.206 0.880 30 20 ACED CC[C@](C)(C#N)C(=O)N[C@H]1C[C@@H](O)C1 597409366 FUTVJGDNNUGTCV-KHQFGBGNSA-N 196.250 0.566 30 20 ACED CCn1nccc1CNC(=O)CC#N 598566340 WXBQKEKQERPVGL-UHFFFAOYSA-N 192.222 0.433 30 20 ACED C[C@@H](CC#N)NC(=O)[C@H]1C[C@@H](O)C1 602086189 QWZLANRSCKYEJE-BIIVOSGPSA-N 182.223 0.176 30 20 ACED C#CC(=O)NCc1cccc(C#N)c1 606259236 VCWOKFFUFADAED-UHFFFAOYSA-N 184.198 0.808 30 20 ACED C=CCCNC(=O)C1(N(C)C)CC1 617610945 FUDMWDWHTAODMA-UHFFFAOYSA-N 182.267 0.773 30 20 ACED C=C[C@@H](O)C(=O)N1CC[C@@H](CC)C1 646902877 SACMECGZNIMXIT-RKDXNWHRSA-N 183.251 0.792 30 20 ACED C=CCn1cc(C(=O)N(C)CC)nn1 648237648 NKADMLAQWXXMBP-UHFFFAOYSA-N 194.238 0.556 30 20 ACED C=CCCN[C@@H]1COC[C@H]1OCC 650240950 PFVLJQRERADZLZ-NXEZZACHSA-N 185.267 0.956 30 20 ACED C=C[C@H](CO)NC/C=C/C(=O)OCC 717515969 QUDXUBPMHDDZAK-VUHVRTRXSA-N 199.250 0.242 30 20 ACED C#CCNC(=O)NC[C@@H](O)[C@@H](C)CC 732880927 GYJFSPPRERXQSI-DTWKUNHWSA-N 198.266 0.326 30 20 ACED C[C@H]1OCCC1=NN1CCN(C)CC1 747736329 OLSKFAPKBONBOT-SECBINFHSA-N 197.282 0.399 30 20 ACED C#C[C@H](C)N(C)C(=O)C[C@H]1CCOC1 767258188 YIFBMRJZAKLAPV-VHSXEESVSA-N 195.262 0.893 30 20 ACED O=C(COCCc1ccccc1)NO 782169734 RMXAHDMPIPFWPU-UHFFFAOYSA-N 195.218 0.751 30 20 ACED Cc1cc(C(=O)O[C@H](C)C#N)ncn1 786110706 QRZLGAQMBXWAGQ-SSDOTTSWSA-N 191.190 0.854 30 20 ACED C#CCN(C)C(=O)CCCC(=O)OC 792479401 VSUFAYQGWSNHGY-UHFFFAOYSA-N 197.234 0.421 30 20 ACED CC#CCCOC(=O)c1[nH]nnc1C 805546561 JCDJSGPOPMOEQT-UHFFFAOYSA-N 193.206 0.683 30 20 ACED C#C[C@H](C)NC(=O)N1CC[C@@](C)(O)C1 820413301 XRJFEECSIYYJHM-WCBMZHEXSA-N 196.250 0.174 30 20 ACED C#C[C@H](C)OC(=O)[C@@H](C)CC(=O)O 825600600 WZPBQVWKQLWZAP-BQBZGAKWSA-N 184.191 0.662 30 20 ACED C=CCONC(=O)NCCOCC 838702873 YEJDGXAJGJKFIV-UHFFFAOYSA-N 188.227 0.440 30 20 ACED CC#CC(=O)N[C@H](CC)[C@H](O)C(C)C 840526028 QAJLWRUBVGFQHW-MWLCHTKSSA-N 197.278 0.921 30 20 ACED CC1(C)CC(=NN[C@H]2CCOC2)CO1 841635198 HCIIMBDCVVDQBZ-QMMMGPOBSA-N 198.266 0.920 30 20 ACED C=C[C@H](NC(CF)CF)C(=O)OC 842147195 CJYLLZRRELIFSE-ZETCQYMHSA-N 193.193 0.611 30 20 ACED C[C@@H](CO)N(C)N=Cc1ccn(C)n1 842540330 JKGNKMYZCYWGKM-QMMMGPOBSA-N 196.254 0.067 30 20 ACED C=C[C@@H](C)ONC(=O)Cn1cccn1 846542946 JLNDWPJSEMJADL-MRVPVSSYSA-N 195.222 0.505 30 20 ACED C#CCCCN(C)C[C@H]1COCCO1 852495611 LMEPNTYTOXLRBZ-NSHDSACASA-N 197.278 0.747 30 20 ACED C#CCCN1CCC[C@@H]1[C@@H](C)O 852559416 QUSOLKIDDKLALH-NXEZZACHSA-N 167.252 0.855 30 20 ACED C#CCCOC(=O)N1CCC[C@H]1CO 859004833 LTKZPRYWYZIXKO-VIFPVBQESA-N 197.234 0.603 30 20 ACED CO[C@H]1C[C@H](NC(=O)C#CC(C)C)C1 863671517 BSTUSNCPYUKHCC-MGCOHNPYSA-N 195.262 0.939 30 20 ACED C[C@H]1COCC1=NNc1cncnc1 884464036 AVVOKNFZPHGVBC-ZETCQYMHSA-N 192.222 0.911 30 20 ACED C[C@@H](CCC#N)CNC[C@H]1COCO1 894878054 CVVSABBUXBVJRW-UWVGGRQHSA-N 198.266 0.889 30 20 ACED C#CC1(O)CN(C(=O)NC(C)(C)C)C1 899462238 DLJPTAARAQWIDG-UHFFFAOYSA-N 196.250 0.174 30 20 ACED C#CCNC(=O)N1CC(=O)CC[C@H]1C 913906633 WWEHRNBLOUIXKQ-MRVPVSSYSA-N 194.234 0.383 30 20 ACED N#CC1(C(=O)NCCCCN)CCC1 1332976948 USAPDYCMEFPJLJ-UHFFFAOYSA-N 195.266 0.535 30 20 ACED CC1(C#N)CCN(CC[N+](=O)[O-])CC1 1334660912 JJUGMLDTDAMJJE-UHFFFAOYSA-N 197.238 0.889 30 20 ACED C=C(C)CCNC[C@H](N)CCOC 1574835626 PNBBEEYZTTVKBW-SNVBAGLBSA-N 186.299 0.906 30 20 ACED C[C@@H]1CNC[C@H]1CC(=O)N(C)CC#N 1579447959 ZTWRSCYVUDACKA-RKDXNWHRSA-N 195.266 0.214 30 20 ACED C=C[C@H](OC(=O)[C@H]1CC12CC2)C(=O)O 1588711074 LLEMISBHCPQMRY-RQJHMYQMSA-N 196.202 0.969 30 20 ACED N#CC1(CNC2CC(C(=O)O)C2)CC1 1594604608 YWKANDAVXJDYOW-UHFFFAOYSA-N 194.234 0.743 30 20 ACED C#CCNC(=O)c1ccoc1 41636201 ULRBOCQOAQBNJK-UHFFFAOYSA-N 149.149 0.643 30 20 ACED COCCOCCN[C@@H](C)CC#N 44725217 SSZCYJBEDUUDNM-VIFPVBQESA-N 186.255 0.541 30 20 ACED C[C@H](CC#N)N(C)CC(=O)N(C)C 48246777 LHGBFXSFKOJAGE-MRVPVSSYSA-N 183.255 0.309 30 20 ACED CC(C)N(CCCCC#N)CC(N)=O 49826655 HQWAJSAHWCJFSF-UHFFFAOYSA-N 197.282 0.876 30 20 ACED N#CCNC(=O)c1cccc(Cl)n1 51074091 NONQLXVJHKXREE-UHFFFAOYSA-N 195.609 0.988 30 20 ACED Cc1cc(C(=O)N(C)CCC#N)no1 82435376 YXGHIZLIXDXQFT-UHFFFAOYSA-N 193.206 0.969 30 20 ACED C=C(C)C(=O)[C@H]1COC[C@H]1N 135423681 LXOMYDDVASVDGE-NKWVEPMBSA-N 155.197 0.105 30 20 ACED C#CCCNC1(CO)CCOCC1 230318741 JCRDLPQMGNLHEA-UHFFFAOYSA-N 183.251 0.141 30 20 ACED Cc1cc(C(=O)NO)ccn1 235763190 MHPRRIZYXMFNCW-UHFFFAOYSA-N 152.153 0.509 30 20 ACED C#C[C@@H](CC)N[C@@H](C=C)C(=O)O 300770515 AVQAAWYGZNLKPS-YUMQZZPRSA-N 167.208 0.627 30 20 ACED C#C[C@H](NC(=O)[C@@H]1CCOC1)C(C)C 300821116 BBRODMSPTLIPQQ-ZJUUUORDSA-N 195.262 0.797 30 20 ACED C=C[C@H](C(=O)OC)N(C)C[C@H](C)C#N 301053666 YSDXIALLAHFAQF-RKDXNWHRSA-N 196.250 0.805 30 20 ACED C[C@H](C#N)NC(=O)[C@@]1(C)CCOC1 306496208 DAPWOWIFCJZTHT-APPZFPTMSA-N 182.223 0.441 30 20 ACED C#CCN1CC[C@@H](C)[S@@](=O)CC1 306536799 QWFFHHQQZASSBC-SKDRFNHKSA-N 185.292 0.463 30 20 ACED N#CCN[C@H]1Cc2cccc(O)c2C1 307071037 WILJIPLUEZEGNI-VIFPVBQESA-N 188.230 0.973 30 20 ACED N#CCC(=O)N[C@@H]1CCCOCC1 307516904 HZSKGFWDRZKXSN-MRVPVSSYSA-N 182.223 0.585 30 20 ACED CCO[C@@H](C)C(=O)NCCCC#N 308398871 GCWBWJYIBROKSY-QMMMGPOBSA-N 184.239 0.831 30 20 ACED C=C[C@H](CO)N[C@H](C)[C@H]1CCCOC1 308649767 JOSPOBRXNPWNBD-OUAUKWLOSA-N 199.294 0.938 30 20 ACED CC#CCN1CC[C@@H](OC)C1 335656458 IHHOEQSMMXCBRQ-SECBINFHSA-N 153.225 0.730 30 20 ACED C[C@H](O)[C@H]1CCCCN1CC#N 336553845 OHKDNGDWXYCUFG-DTWKUNHWSA-N 168.240 0.745 30 20 ACED C=CCNC(=O)[C@H](CC)[C@@H](C)O 379320774 YMEOEPRDSGWFDZ-HTQZYQBOSA-N 171.240 0.696 30 20 ACED CCC(=NNC(=N)N)[C@H]1CCOC1 379359476 YRJYGFLZYDGDHU-LURJTMIESA-N 184.243 0.272 30 20 ACED C#CCN(CC)[C@@H](CC)C(=O)O 382473466 FLGIWMLKXLBPDJ-QMMMGPOBSA-N 169.224 0.805 30 20 ACED CC#CCCOC(=O)[C@@H](C)OC 388402699 PJASNFZIBYYTRT-MRVPVSSYSA-N 170.208 0.978 30 20 ACED CC(C)(C)N(CC#N)CC(N)=O 388442579 TUQKAVJAESLMIG-UHFFFAOYSA-N 169.228 0.096 30 20 ACED C=CCCN1CCN(CC)C(=O)C1 388699421 MTOYMQKVFDRFNK-UHFFFAOYSA-N 182.267 0.727 30 20 ACED C[C@H](C#N)C(=O)NCC(C)(F)F 590505994 YVSPHKDEKOHANI-RXMQYKEDSA-N 176.166 0.917 30 20 ACED C[C@@H](C#N)N(C(=O)CC#N)C1CC1 598133325 PJYLGIQZQCFQLV-ZETCQYMHSA-N 177.207 0.803 30 20 ACED CO[C@@H](C)Cn1cc(CCC#N)nn1 603230263 MXEHXIJZZGLDFS-QMMMGPOBSA-N 194.238 0.769 30 20 ACED C#CC(=O)N[C@@]1(C)CC1(C)C 606244450 ZCGCCZALBJDNDR-VIFPVBQESA-N 151.209 0.924 30 20 ACED C#CC(=O)N1C[C@@H](CC)OC[C@@H]1C 606256307 ILAQZRDLIYIQKV-DTWKUNHWSA-N 181.235 0.646 30 20 ACED CN(C)CCNC(=O)NCCCC#N 612380286 BPIRUPCVHHVHQE-UHFFFAOYSA-N 198.270 0.151 30 20 ACED C=C[C@@H](O)C(=O)N1CC[C@H]1C(C)C 613268809 BIBKYPUTYFFGJS-DTWKUNHWSA-N 183.251 0.790 30 20 ACED 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CC#CCCNCC[N+](=O)[O-] 905203282 QHLIFFJTVFVUPD-UHFFFAOYSA-N 156.185 0.266 30 20 ACED N#CCCNCC1CC2(C1)OCCO2 905595374 YUWVVJAZSVPPHV-UHFFFAOYSA-N 196.250 0.643 30 20 ACED CC#CCN(C)C(=O)[C@H](C)CC(=O)O 911703933 RDPPKFVTALQMND-MRVPVSSYSA-N 197.234 0.579 30 20 ACED C[C@@H]1CCCN1C(=O)NCC#CCO 923777449 JMASRXGTOVOAKI-SECBINFHSA-N 196.250 0.176 30 20 ACED N#C[C@@H]1CC[C@@H](N2CC[C@@H](CO)C2)C1 1254665872 QVTZSPVDICJPSD-GMTAPVOTSA-N 194.278 0.993 30 20 ACED CC#CCN1C[C@H]2CCNC[C@H]21 1574970115 PQLJDFAAUJENCW-NXEZZACHSA-N 164.252 0.303 30 20 ACED C[C@@H](C#N)CN(C)C(=O)[C@H]1C[C@H]1CN 1575045704 PGWIDNZYDKYYJF-CIUDSAMLSA-N 195.266 0.199 30 20 ACED CN(CC1(C#N)CC1)[C@H]1[C@@H]2CNC[C@@H]21 1578445258 KXMPZFUYBHTVCC-MYJAWHEDSA-N 191.278 0.440 30 20 ACED C=C(CCC(=O)O)C(=O)NCC#CC 1602782430 MBMJIPASGFFJRG-UHFFFAOYSA-N 195.218 0.547 30 20 ACED CC(C)(C)NCC(=O)NCC#N 20056765 QFSMSENYNJQCOZ-UHFFFAOYSA-N 169.228 0.014 30 20 ACED CCCNC[C@@H](O)CN(C)CCC#N 34978524 MZHTYJXZBMRTGQ-SNVBAGLBSA-N 199.298 0.192 30 20 ACED C#CC(C)(C)NC(=O)c1cn[nH]c1 69679996 UUJQAGYZRDZUIT-UHFFFAOYSA-N 177.207 0.551 30 20 ACED C=CCCN1CCO[C@@H](CC(=O)O)C1 85618110 PXHUZDUFUFETSC-VIFPVBQESA-N 199.250 0.738 30 20 ACED C=C(Cl)CN1C[C@H]2CNC[C@@H]2C1 88287880 MCXAPVMUQCCVOZ-RKDXNWHRSA-N 186.686 0.890 30 20 ACED O=C(CCc1ccncc1)NO 135994853 QQJHTYKMUGKULK-UHFFFAOYSA-N 166.180 0.520 30 20 ACED C#C[C@@H](C)NC(=O)NCCC 165484045 YEZCDMRDMCGULM-SSDOTTSWSA-N 154.213 0.717 30 20 ACED C#C[C@@H](C)NC(=O)[C@H](N)CCCC 166821166 PRCMCBAPWPDNEW-RKDXNWHRSA-N 182.267 0.642 30 20 ACED C=CCC[C@@H](C)N[C@@H](CO)COC 234836559 SUJJFZXBDVLNQN-ZJUUUORDSA-N 187.283 0.938 30 20 ACED C[C@H](C#N)CNC(=O)c1cncn1C 235113245 FRRLBIFDHIWDLB-SSDOTTSWSA-N 192.222 0.310 30 20 ACED CC[C@H](CO)Nc1ncncc1C#N 306367207 ITFNGPHJPHWSQP-MRVPVSSYSA-N 192.222 0.531 30 20 ACED C#C[C@H](C)NS(=O)(=O)c1ccco1 306466479 GCNGUZSHPQWSRK-ZETCQYMHSA-N 199.231 0.580 30 20 ACED C#CCCn1cnc([N+](=O)[O-])n1 306978291 AZYXWEPTHUNDMT-UHFFFAOYSA-N 166.140 0.210 30 20 ACED COC[C@]1(C(C)C)O[C@H]1C#N 307198518 VGWIZYPXRINWBJ-JGVFFNPUSA-N 155.197 0.950 30 20 ACED C=C(C)C(=O)[C@@H](N)C1CC1 307228412 IAAPQGIADBGAJL-ZETCQYMHSA-N 139.198 0.869 30 20 ACED COCC#CCN[C@]1(C)CCO[C@H]1C 307696168 CRPPGDLVWWOVDF-WDEREUQCSA-N 197.278 0.793 30 20 ACED C#CCOC(=O)CC[C@@H]1CCOC1 308197315 UHCHDQZGHDRXJE-SECBINFHSA-N 182.219 0.980 30 20 ACED N#CCNC(=O)CCn1cccc1 308248025 YRJCATPDUHGIQV-UHFFFAOYSA-N 177.207 0.518 30 20 ACED COc1ccsc1C=NNC(=N)N 308287431 COAXYHVBWKNYIX-UHFFFAOYSA-N 198.251 0.574 30 20 ACED N#CC1(NC(=O)COC(F)F)CC1 308398495 GSJCEKHVQCXLDZ-UHFFFAOYSA-N 190.149 0.398 30 20 ACED N#CCCCC(=O)NOCC(F)F 308427150 XTIZJWZMQHUZBH-UHFFFAOYSA-N 192.165 0.993 30 20 ACED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC 336153007 NIQRAKZDKLZOLA-BDAKNGLRSA-N 198.266 0.897 30 20 ACED O=C(O)CNN=Cc1ccccc1O 378867234 DQPPVEXLWPLWQS-UHFFFAOYSA-N 194.190 0.400 30 20 ACED CC#CC(=O)N[C@@H](CO)CC1CC1 379381065 GDVYSAHJWAOECY-SECBINFHSA-N 181.235 0.287 30 20 ACED CC1(C)OCCC1=NOCC(N)=O 382274317 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0.425 30 20 ACED C#C[C@@H](CC)NC(=O)C#CC1CC1 837576652 YUCMZKHQMALCSU-JTQLQIEISA-N 175.231 0.928 30 20 ACED C#CCNC(=O)Nc1conc1C 888744868 BFGKBNWDUHLZGX-UHFFFAOYSA-N 179.179 0.738 30 20 ACED CC[C@H](O)[C@H](C)C(=O)N[C@@H](C)CC#N 900432794 HPUQVLBEJFKIPX-CIUDSAMLSA-N 198.266 0.812 30 20 ACED C#CCOCCOc1cncnc1 901704801 WKHSFHSOAWRYKV-UHFFFAOYSA-N 178.191 0.505 30 20 ACED CC#CCNC(=O)[C@@H](CC)C(=O)O 911401453 QINJXTDEYRYZCP-SSDOTTSWSA-N 183.207 0.237 30 20 ACED C#CCOC(=O)[C@@H]1[C@H]2CCC(=O)[C@@H]21 923586533 RGBJBZBRQWENDU-NBEYISGCSA-N 178.187 0.388 30 20 ACED C=CCC[C@H](O)CN1CC[C@H]1CO 934027179 PRPYYSRLOUUDJL-UWVGGRQHSA-N 185.267 0.380 30 20 ACED CCC(=O)N1CC[C@@H](NCC#N)C1 965960778 NQZHVKDOBYYTNE-MRVPVSSYSA-N 181.239 0.110 30 20 ACED C#CCN1C[C@@H](NC(C)=O)C(C)(C)C1 972701969 GIYJYLXDDCQHML-SNVBAGLBSA-N 194.278 0.466 30 20 ACED N#CCC1CCN(C(=O)CCO)CC1 1334748296 OQQKTFINXXFICU-UHFFFAOYSA-N 196.250 0.521 30 20 ACED C=C(C)CCC(=O)N=c1nc[nH]n1C 1337137631 ZQTGZBSHEDKZNN-UHFFFAOYSA-N 194.238 0.532 30 20 ACED C[C@@H](C#N)NC(=O)[C@H]1C[C@@H]1F 1338121354 YHHSFAXQKCRLMC-ZLUOBGJFSA-N 156.160 0.373 30 20 ACED C[C@H](C#N)C(=O)N1CC(C)(C(=O)O)C1 1603129170 BDHUZPIPNXKPKX-ZCFIWIBFSA-N 196.206 0.079 30 20 ACED N#Cc1ccc(NCC(N)=O)cc1 20053175 RHMDZPZAZXLJHZ-UHFFFAOYSA-N 175.191 0.455 30 20 ACED O=C(N1C[C@@H]2O[C@@H]2C1)C(F)(F)F 34596731 RGGRKBLCFSQUSE-ZXZARUISSA-N 181.113 0.158 30 20 ACED Cc1c(C(=O)N[C@@H](C)C#N)cnn1C 40350257 HOZGYXBUOFKRBP-LURJTMIESA-N 192.222 0.370 30 20 ACED C=CCN1CCN[C@@H](C)C1 71495306 TXSJQDAXVZMHKK-QMMMGPOBSA-N 140.230 0.466 30 20 ACED NCCC#CCN1CCC1 91692334 IIJFBGANLURXPA-UHFFFAOYSA-N 138.214 0.044 30 20 ACED C#CCN(CC)C(=O)[C@@H]1CCOC1 109793529 NFRUSVDGIIIDTI-SECBINFHSA-N 181.235 0.505 30 20 ACED C=C(C)CNC(=O)c1cnccn1 160660455 YITXRALLAIRVEI-UHFFFAOYSA-N 177.207 0.783 30 20 ACED C#CCCCN(CCO)CCOC 163024154 BWQAGRDCABQENL-UHFFFAOYSA-N 185.267 0.341 30 20 ACED C#C[C@@H](C)NS(=O)(=O)CCCC 167049726 QQVDSWCGOGFNDI-MRVPVSSYSA-N 189.280 0.728 30 20 ACED CC[C@H](O)CCNC(=O)[C@H](C#N)CC 218854686 JYEDARVBYWLCPX-IUCAKERBSA-N 198.266 0.813 30 20 ACED C[C@@H](C#N)NC(=O)C[C@H]1CCCOC1 259765846 AADDGZGOQMXXMS-DTWKUNHWSA-N 196.250 0.831 30 20 ACED COC(=O)c1nccc(C#N)n1 260139938 LTXBXNNGKCSMQN-UHFFFAOYSA-N 163.136 0.135 30 20 ACED N#Cc1cnn(C[C@@H](O)CF)c1 306638536 NFFAWPUFAWOVCD-ZETCQYMHSA-N 169.159 0.085 30 20 ACED C#CCCN1CCOC[C@H](C)C1 306640542 KFXCJFBVPYHKDL-SNVBAGLBSA-N 167.252 0.978 30 20 ACED C=CCCN(C)C[C@@H](C)N 306714600 FGMDNEHQZIWXMX-MRVPVSSYSA-N 142.246 0.842 30 20 ACED C#CC(=O)N[C@H](C)c1nc(C)no1 307287651 VHQFZWKITVZOPQ-RXMQYKEDSA-N 179.179 0.188 30 20 ACED N#CC1(NC(=O)c2cnns2)CC1 307658931 CIQNKXPBRJHKQT-UHFFFAOYSA-N 194.219 0.324 30 20 ACED C=C[C@H](CO)NC(=O)/C(C)=C\C 307958860 UIPIIURWNRGZAA-RBMBQVQZSA-N 169.224 0.616 30 20 ACED C=C(Cl)CN(C)CC(=O)N(C)C 307966438 CGVJZMHSGDNOGH-UHFFFAOYSA-N 190.674 0.759 30 20 ACED N#CCCCOC(=O)[C@@H]1CCOC1 308208143 DQUIBCWNVIHNGO-MRVPVSSYSA-N 183.207 0.870 30 20 ACED C#CCCN1CCN(CCF)CC1 308215673 JEKRWAGFZONEFG-UHFFFAOYSA-N 184.258 0.597 30 20 ACED C#CCNC(=O)N(C)C[C@@H](C)C#N 308265920 PVPHETLKXZSQDJ-QMMMGPOBSA-N 179.223 0.421 30 20 ACED C=C[C@H](CO)NCc1cncc(F)c1 308502248 AQOPOLGWPVKETH-SNVBAGLBSA-N 196.225 0.857 30 20 ACED C=CCCC(=O)NCc1nnc(N)o1 308546711 VYUDBGIXBJZVOD-UHFFFAOYSA-N 196.210 0.234 30 20 ACED CC(C)(CC(N)=O)NCC1(C#N)CC1 308650417 KAXRTIYVQIHCBS-UHFFFAOYSA-N 195.266 0.534 30 20 ACED C=CC[C@H](C)NC(=O)[C@@H]1[C@H]2CNC[C@H]21 379976620 DVQJTBAZQMWZPA-AXTSPUMRSA-N 194.278 0.533 30 20 ACED C[C@H]1C[C@H]1C(=O)N1CC(C#N)C1 590491642 FZACHMLGBFEDNM-POYBYMJQSA-N 164.208 0.624 30 20 ACED N#C[C@@H]1CC[C@H](N[C@H]2CCNC2)C1 591668409 LMTVVZWAOIYKSF-UTLUCORTSA-N 179.267 0.630 30 20 ACED CNC(=O)CCN(C1CC1)[C@@H](C)C#N 595713280 GXFCKKIAMQOFLP-QMMMGPOBSA-N 195.266 0.499 30 20 ACED CC(=O)NC[C@@H]1CCCCN1CC#N 599703295 OVAXEFSMQNZTAS-JTQLQIEISA-N 195.266 0.501 30 20 ACED C=CCOCCSCCC(N)=O 600607204 VEZGTTCYGKRZCZ-UHFFFAOYSA-N 189.280 0.798 30 20 ACED CCN(Cc1cn(C)nn1)[C@@H](C)C#N 612120685 LAACRFQNCJKZDL-QMMMGPOBSA-N 193.254 0.549 30 20 ACED C=CCN(C)C(=O)NCCCNCC 634114898 FEEKBMCOMYGFDS-UHFFFAOYSA-N 199.298 0.813 30 20 ACED C=C[C@@H](O)C(=O)N(C)CCCOC 646769565 OIJRCEPFVBOVRV-MRVPVSSYSA-N 187.239 0.028 30 20 ACED CC#CC[C@H](CO)NC(=O)[C@H]1C[C@@H]1C 649183380 RQEKKDABIVUZHW-AEJSXWLSSA-N 195.262 0.533 30 20 ACED C=C[C@H](C)NC(=O)[C@H](C(=O)O)C1CC1 663073961 GCMCMWBIKKQUSI-POYBYMJQSA-N 197.234 0.788 30 20 ACED COCC#CCn1c(C)cncc1=O 671618912 LQHIAENJLAGFKZ-UHFFFAOYSA-N 192.218 0.202 30 20 ACED C[C@H](C#N)OCCN1CC[C@H](F)C1 689821516 JNECUCWDZGEYSS-BDAKNGLRSA-N 186.230 0.959 30 20 ACED C#CCNC(=O)[C@@H](C)N(CC)CCC 764207471 ASWBSZJLHPTQDG-SNVBAGLBSA-N 196.294 0.856 30 20 ACED C#C[C@@H](C)NC(=O)c1cc(C)ncn1 775385713 KPNIDLNPXWEJQT-SSDOTTSWSA-N 189.218 0.537 30 20 ACED COC[C@@H](C#N)OC(=O)c1ccco1 785009835 UXZHCPJFPBZIFZ-SSDOTTSWSA-N 195.174 0.975 30 20 ACED C=CCCOC(=O)[C@H]1NC(=O)O[C@H]1C 786067546 RDBKPYVTTMYSSJ-BQBZGAKWSA-N 199.206 0.603 30 20 ACED C#CCCCC(=O)N(C)CCC(N)=O 804744298 KAMDLQCSMCAMFN-UHFFFAOYSA-N 196.250 0.124 30 20 ACED C=C[C@@H](C)ONC(=O)[C@@H](O)CCC 824033850 ULXVGECLGDKKPX-SFYZADRCSA-N 187.239 0.770 30 20 ACED C[C@H]1CC(=NNC[C@@H](C)C#N)CO1 842527607 CTNICGUKSKOIKH-YUMQZZPRSA-N 181.239 0.900 30 20 ACED C=C(C)CONC(=O)c1cc[nH]n1 846538842 VONRVJCDQBYKNG-UHFFFAOYSA-N 181.195 0.647 30 20 ACED CC(C)(C)C#CC(=O)NC1(C)COC1 870666433 XFYQGDGNWMFFCK-UHFFFAOYSA-N 195.262 0.941 30 20 ACED C#CC1(O)CN(c2nc(C)ns2)C1 897341722 KVZLJGDJOOJLDS-UHFFFAOYSA-N 195.247 0.031 30 20 ACED C#CCO[C@H](C)C(=O)N1CC2(CC2)C1 926465379 SIECFTGTVZJUJI-SECBINFHSA-N 193.246 0.647 30 20 ACED C=CCN1CCOC[C@@H]1COC 933335345 XNTMMPYKZUUNFO-VIFPVBQESA-N 171.240 0.520 30 20 ACED C=CCCN1CC(NC(C)=O)C1 1030037395 RYNTVRZPCQZPNZ-UHFFFAOYSA-N 168.240 0.383 30 20 ACED COCC#CC(=O)N[C@H](C)C1CCC1 1261735905 VDIMADMWSNJPJC-SECBINFHSA-N 195.262 0.941 30 20 ACED C#CCCCNC(=O)[C@@]1(F)CCOC1 1323457255 GVMCDDNMQKNGOM-SNVBAGLBSA-N 199.225 0.645 30 20 ACED 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CC(C)(O)COC(=O)CCCC#N 1344858823 QWQUTLGFLANWFJ-UHFFFAOYSA-N 185.223 0.994 30 20 ACED C#CCOCCNC(=O)C(=C)CC 1348223673 YMJFBDZTCBKDGO-UHFFFAOYSA-N 181.235 0.719 30 20 ACED C[C@H](N[C@H]1CC[C@@H](C#N)C1)C(=O)O 1594240614 BWNAAUQDLYKLBD-RNJXMRFFSA-N 182.223 0.741 30 20 ACED C=C[C@H](C(=O)O)N(C)CC1(O)CCC1 1602804801 SNKCAZPTLQOIPR-MRVPVSSYSA-N 199.250 0.472 30 20 ACED C[C@@]1(C(=O)O)CCN(C(=O)CC#N)C1 1609811773 TZSNLAVBMYOMNG-SECBINFHSA-N 196.206 0.223 30 20 ACED C=C(CO)CN(C)C[C@@H](C)C(=O)O 1776142090 YFORVGUOIFUARI-MRVPVSSYSA-N 187.239 0.187 30 20 ACED CCCCN1CCN(CC#N)CC1 39017778 IKFXLZCFZFNSDF-UHFFFAOYSA-N 181.283 0.928 30 20 ACED CCN(CCC#N)CC(=O)N(C)CC 42454445 FQVDHQVIDFMJSD-UHFFFAOYSA-N 197.282 0.700 30 20 ACED C[C@@H](CC#N)NC(=O)[C@H]1CCCCO1 50963429 OQPZLWNHWYXHPD-DTWKUNHWSA-N 196.250 0.974 30 20 ACED CC[C@@H](CC#N)NC(=O)CCN 54180008 MXVFNKMTVZEVCZ-ZETCQYMHSA-N 169.228 0.144 30 20 ACED COC(=O)N1CCC(C#N)CC1 70212656 IGPVPPXFPCSZDB-UHFFFAOYSA-N 168.196 0.988 30 20 ACED 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C=CCn1cc(CCCO)cn1 585142955 QYQFRAZTFLSNMI-UHFFFAOYSA-N 166.224 0.994 30 20 ACED CCC[C@H](C#N)NC(=O)[C@H](O)C(C)C 586763983 WWDJEIBVIFOGCV-RKDXNWHRSA-N 198.266 0.812 30 20 ACED CCn1c(OC)c(C#N)ccc1=O 590584872 OAKRQRMHHZRCQV-UHFFFAOYSA-N 178.191 0.748 30 20 ACED C[C@@H](CC#N)N=c1nc[nH]cc1C#N 591904639 DVJIQPZPMSSKES-ZETCQYMHSA-N 187.206 0.484 30 20 ACED C[C@H](O)CN(C(=O)[C@@H](C)C#N)C1CC1 594415172 OBINRYYFWDTPBN-YUMQZZPRSA-N 196.250 0.518 30 20 ACED CCNC(=O)CN(C1CC1)[C@@H](C)C#N 595715507 AVOXBWTZFRTHIL-QMMMGPOBSA-N 195.266 0.499 30 20 ACED C=C[C@@H](O)C(=O)N[C@H](C#N)C(C)(C)C 597350360 ICMPFYVNCHPQAZ-HTQZYQBOSA-N 196.250 0.588 30 20 ACED CC[C@H](O)CNC(=O)[C@H](C)CC#N 597688472 CHWSGTYTDRDOQT-SFYZADRCSA-N 184.239 0.423 30 20 ACED CCN(C(=O)COC)[C@H](C)C#N 598347877 YWAWTNNNWNHNEW-SSDOTTSWSA-N 170.212 0.393 30 20 ACED CN(CCC#N)CC1(O)CCC1 610710436 ZQUUARZXRKOEAL-UHFFFAOYSA-N 168.240 0.747 30 20 ACED CCN(CCO)C(=O)NC[C@H](C)C#N 611634683 HIWLNIWLQJHWNN-MRVPVSSYSA-N 199.254 0.170 30 20 ACED C=C[C@H](O)C(=O)N(C1CC1)C1CC1 628815771 WBANQAZGADFLTR-VIFPVBQESA-N 181.235 0.687 30 20 ACED CC#CCCN1C[C@H](O)C[C@@H]1COC 649763711 AGMIDXGMOXFJFL-GHMZBOCLSA-N 197.278 0.481 30 20 ACED CC#CCNC1(CO)CCSCC1 657147637 UNLMKEZDUCBSTG-UHFFFAOYSA-N 199.319 0.857 30 20 ACED CC#CCNC(=O)[C@@H]1O[C@H](C)C[C@H]1C 669688876 UASLSGRRIUYBEA-OPRDCNLKSA-N 195.262 0.939 30 20 ACED C=C(C)CNC(=O)Cc1cnn(C)c1 681675177 YDUCTWPUHRAHHO-UHFFFAOYSA-N 193.250 0.655 30 20 ACED C#CCCCNC(=O)N[C@H](C)CCO 745832733 KBUCUGAMMXWIAZ-SECBINFHSA-N 198.266 0.470 30 20 ACED CC(Cc1ccncc1)=NNCCO 814944775 XGGHHQATHCCULY-UHFFFAOYSA-N 193.250 0.582 30 20 ACED C[C@@H](O)CNN=C1CCCN(C)CC1 814967079 WULVBZQEOQFIAQ-SECBINFHSA-N 199.298 0.429 30 20 ACED CCn1nc(C)c(C(=O)OCC#N)n1 815294595 YNNALUGDYXUNIJ-UHFFFAOYSA-N 194.194 0.287 30 20 ACED CC(C)OCCC(=O)N1CC(C#N)C1 817547316 WEEQGHQHTSPZAV-UHFFFAOYSA-N 196.250 0.783 30 20 ACED CC(C)(C)C#CC(=O)N[C@@H]1CCOC1 819740738 GVHBGVRRYPCLER-SECBINFHSA-N 195.262 0.941 30 20 ACED C#C[C@@H](C)NC(=O)N(CC)CCOC 820405861 KMZJXUCZWJAQCH-SECBINFHSA-N 198.266 0.686 30 20 ACED O=C(C#CC1CC1)N[C@H]1C[C@@H](O)C1 830554152 HESNKAQBQNTINH-DTORHVGOSA-N 179.219 0.039 30 20 ACED C[C@H]1CC(=NNc2nc[nH]n2)CO1 842532587 CBYGPWWUNPFDNJ-YFKPBYRVSA-N 181.199 0.381 30 20 ACED C=C(C)CONC(=O)C1=COCCO1 846540815 KSVLXEYMDQPIHW-UHFFFAOYSA-N 199.206 0.499 30 20 ACED CC(=NNCC(C)(C)O)c1ncc[nH]1 863139623 ZLAHHEZOBJLTKR-UHFFFAOYSA-N 196.254 0.494 30 20 ACED C=C[C@@H](C)NC(=O)/C=C/COC 866502822 KQRYJPVDEHATKQ-HQZHTGGTSA-N 169.224 0.880 30 20 ACED CCn1ncnc1C=NN1CCC1 872398029 ATQHEKSSFMMSFS-UHFFFAOYSA-N 179.227 0.338 30 20 ACED N#Cc1cc(N2CC[C@H]2CO)ccn1 912352451 ZXMXOPJWQIMFQO-JTQLQIEISA-N 189.218 0.524 30 20 ACED C=C(C)CN1CC[C@](CO)(COC)C1 930659048 UBNIFPOMKGNPBL-NSHDSACASA-N 199.294 0.893 30 20 ACED C[C@H](O)[C@H](O)CN(C1CC1)[C@H](C)C#N 930974107 RZYWJSLOKYIINR-KHQFGBGNSA-N 198.266 0.105 30 20 ACED C=C(CO)C(=O)N[C@H]1CC12CCC2 1119057555 OTTZCDBOPGHJGK-QMMMGPOBSA-N 181.235 0.594 30 20 ACED C[C@@H](C(=O)NCCC#N)n1ccnc1 1322251616 GWJHCSSHHKGLEK-QMMMGPOBSA-N 192.222 0.474 30 20 ACED C#CCNC(=O)CCNCC(=C)C 1335383454 FGSMBEQZFHUBGC-UHFFFAOYSA-N 180.251 0.292 30 20 ACED C[C@@H]1CC[C@H](C(=O)O)N1CC#N 1594219457 WRTDCDCQAQQOLQ-RNFRBKRXSA-N 168.196 0.447 30 20 ACED CC1(C)CCOS(=O)(=O)OC1 2113731569 KALRYIGYEJNLGZ-UHFFFAOYSA-N 180.225 0.694 30 20 ACED N/C(=N\O)[C@H]1C[C@@H]2CCCCN2C1 68575935 FWGLLTZMNGADSQ-YUMQZZPRSA-N 183.255 0.607 30 20 ACED CN(C)CCNC(=O)C1(C#N)CCC1 82737650 DOLDQOTYMKMXHX-UHFFFAOYSA-N 195.266 0.358 30 20 ACED C#CCNC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C 82923499 JPULRPLVGMNDRT-RQJHMYQMSA-N 195.218 0.093 30 20 ACED CNc1cccc(/C(N)=N/O)c1 83119247 SFNVKFJJLKDDBF-UHFFFAOYSA-N 165.196 0.823 30 20 ACED N#Cc1c(N)cc(C(=O)O)nc1Cl 91301663 SDETXBSPOPGHNF-UHFFFAOYSA-N 197.581 0.887 30 20 ACED C=C[C@H](C)NC(=O)c1ccc(=O)[nH]c1 130673714 VWAHRYVZIUJXQY-ZETCQYMHSA-N 192.218 0.679 30 20 ACED C=C[C@H](C)NC(=O)[C@H](N)C(C)C 157654474 RDXYZZJRGLVMLU-JGVFFNPUSA-N 170.256 0.660 30 20 ACED CC1(C#N)CN(C(=O)C(F)(F)F)C1 224673650 LXDPBBCCTJMDHG-UHFFFAOYSA-N 192.140 0.921 30 20 ACED C#CCNCC(=O)C1CCC1 226654216 QYRWZWZRTMNJSS-UHFFFAOYSA-N 151.209 0.578 30 20 ACED COC[C@H](C)N1CCO[C@@H](C#N)C1 228225332 FLDITQQQSQPFEL-IUCAKERBSA-N 184.239 0.246 30 20 ACED Cc1cc(C(=O)N[C@@H](C)CC#N)n[nH]1 259591125 GWAXSWJKBLZKMU-LURJTMIESA-N 192.222 0.750 30 20 ACED C=C[C@H](Sc1nncn1C)C(=O)O 301019208 NELVEXYEZSTXPC-YFKPBYRVSA-N 199.235 0.546 30 20 ACED CN(CC(N)=O)[C@H]1CC[C@H](C#N)C1 306613555 KSCIEQLDMQIGCX-YUMQZZPRSA-N 181.239 0.096 30 20 ACED C=C[C@H](C(=O)O)N1C[C@H]2C[C@@H]2C1 306839108 YBYSPEXSMZYYEV-BWZBUEFSSA-N 167.208 0.577 30 20 ACED C=C(C)CCNC(=N)NC 307027885 IFDGYIWCWFWUDA-UHFFFAOYSA-N 141.218 0.696 30 20 ACED C#CCONC(=O)[C@H]1C[C@H]1C 307194527 PSUDMHZPTTXYAI-RQJHMYQMSA-N 153.181 0.323 30 20 ACED C#CCN(C)C[C@H](O)CCC=C 307980724 OKSUHZGOHUNPSG-SNVBAGLBSA-N 167.252 0.879 30 20 ACED C[C@@H](C#N)CNN=Cc1cc[nH]n1 308254728 JWKBSWRMKYLVCU-ZETCQYMHSA-N 177.211 0.493 30 20 ACED 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196.250 0.377 30 20 ACED C#CCN1CCC[C@H](NC(C)=O)C1 307536361 INSJLWZNBQZBLZ-JTQLQIEISA-N 180.251 0.220 30 20 ACED C#CC(=O)NCC1(COC)CCC1 308435838 WGQAFUMULIHICN-UHFFFAOYSA-N 181.235 0.553 30 20 ACED C[C@H](CC#N)N(C)Cc1cnn(C)n1 308452162 AATJVYGJKQGLPM-MRVPVSSYSA-N 193.254 0.549 30 20 ACED CCN(CCC#N)C(=O)C=NOC 379413608 MDISZKVNKICYNT-UHFFFAOYSA-N 183.211 0.381 30 20 ACED C=CCOCCN(C)CC(C)(C)O 382389871 LSFOBIAEMKNVAO-UHFFFAOYSA-N 187.283 0.892 30 20 ACED CCN(CC#N)C(=O)CNC(C)(C)C 389281131 RWUFXNSKWKGDQD-UHFFFAOYSA-N 197.282 0.747 30 20 ACED CC[C@H](O)CNC[C@@H](C#N)CCC#N 592429771 MEZAWHOSPWKTSY-ZJUUUORDSA-N 195.266 0.790 30 20 ACED C=C[C@@H](O)C(=O)N[C@@H]1CCSC1 669282297 JVXHRTCTRULURI-RNFRBKRXSA-N 187.264 0.155 30 20 ACED CC#CCCNC(=O)[C@@H](OC)C1CC1 684295861 XGDVNOYLTFWRHL-JTQLQIEISA-N 195.262 0.941 30 20 ACED CC#CCCN(CC)[C@@H]1CCNC1=O 685044174 UJTMZWNDHHJJKM-SNVBAGLBSA-N 194.278 0.610 30 20 ACED CC(C)C[C@@H](C(=O)O)N(C)CC#N 695082799 SKQTZPKCZUJOJH-QMMMGPOBSA-N 184.239 0.941 30 20 ACED C=CCC1(O)CCN(C[C@@H](C)O)CC1 717493873 HULDDOACSKIVIO-SNVBAGLBSA-N 199.294 0.770 30 20 ACED C#CC[C@@H](CO)NCc1cc(C)on1 720413719 TVBJEZPXWTVUET-VIFPVBQESA-N 194.234 0.457 30 20 ACED C#CCN(C)[C@@H](C)C(=O)NC(C)(C)C 776856451 RFHIZTPKQUBBKS-VIFPVBQESA-N 196.294 0.855 30 20 ACED Cc1nn(C)c(C)c1[C@H](C)C(=O)NO 782170038 UXBDVNSZTABKHX-YFKPBYRVSA-N 197.238 0.646 30 20 ACED COCCN(C)N=Cc1cncn1C 794966329 OOFLKOMWPIGSOO-UHFFFAOYSA-N 196.254 0.332 30 20 ACED CC[C@H](O)CNN=Cc1cccnc1 811655207 HXVDHSUDTLXDCC-JTQLQIEISA-N 193.250 0.776 30 20 ACED C=CCOCCn1nnnc1C(C)C 814745222 MYEZWWKLIJYNNJ-UHFFFAOYSA-N 196.254 0.999 30 20 ACED C=C[C@@H](C)NC(=O)CCNC(=O)O 823491205 SGDQEOJZBYAWQM-ZCFIWIBFSA-N 186.211 0.335 30 20 ACED C=C[C@H](C)NC(=O)C[C@@H]1CCC(=O)N1 829981372 CZDWABJITHNWEX-YUMQZZPRSA-N 196.250 0.346 30 20 ACED C#C[C@H](C)NC(=O)[C@H]1CC(C)=NO1 832425749 RDXAOKWJPIMDTM-POYBYMJQSA-N 180.207 0.289 30 20 ACED C#CCO[C@H](C)C(=O)OCC(F)F 835092649 VLXIFIXITSUVRU-ZCFIWIBFSA-N 192.161 0.833 30 20 ACED CC[C@@H](CO)N(C)C(=O)C#CC1CC1 837677164 XHBLHPPVUZGMAK-JTQLQIEISA-N 195.262 0.629 30 20 ACED C#CCNC(=O)CCNCCC=C 849326551 GBYUNMBFXDPNRU-UHFFFAOYSA-N 180.251 0.292 30 20 ACED C=CCCNC(=O)Cc1nonc1C 855380593 CRDRFGPOBGJZFW-UHFFFAOYSA-N 195.222 0.613 30 20 ACED C#CCCOC(=O)N1CC[C@H](O)C1 859002944 COMSSSNCNXVTLJ-QMMMGPOBSA-N 183.207 0.213 30 20 ACED CON=CC(=O)N1CC[C@H](CF)C1 881675650 ZFPUVWFZRPTJLH-SSDOTTSWSA-N 188.202 0.437 30 20 ACED CCC#CCOC(=O)[C@H](C)NC(C)=O 893832883 HJINHGKSCXBOLW-QMMMGPOBSA-N 197.234 0.468 30 20 ACED C#CC(=O)N[C@@H]1CCO[C@H]1CC 899161384 JJUOUZSTSYHYPY-SFYZADRCSA-N 167.208 0.303 30 20 ACED C=CCNC(=O)C12CC(C(=O)O)(C1)C2 908691549 YKTMEHZWXWKWPD-UHFFFAOYSA-N 195.218 0.544 30 20 ACED C=C[C@H](CO)N[C@@H](C)c1ncco1 926728746 WZYYSHHCQFMMHQ-JGVFFNPUSA-N 182.223 0.872 30 20 ACED C=C[C@H](CO)NCc1cnc(CC)o1 931068182 WPWLZZZKMULJAK-MRVPVSSYSA-N 196.250 0.874 30 20 ACED C#CCN(CCCNC(C)=O)C(C)C 932388467 LDLNNCNKILMERS-UHFFFAOYSA-N 196.294 0.856 30 20 ACED C[C@H](C#N)CN(C)Cc1nc[nH]n1 1118557902 UBXMOZLCVSOQSK-SSDOTTSWSA-N 179.227 0.396 30 20 ACED N#CCn1cc([C@@H](O)C2CC2)nn1 1119273610 WAZLJIPSLNLZHD-QMMMGPOBSA-N 178.195 0.245 30 20 ACED C#CCN(C)CC[C@H]1CCOC1 1326503724 IWQRSGMVPPLNKA-JTQLQIEISA-N 167.252 0.978 30 20 ACED C=C1CN([C@@H](C)[C@H](C)O)C1 1335615836 HIFMZEBJVQTLDV-YUMQZZPRSA-N 141.214 0.628 30 20 ACED C#C[C@@H](C)N(C)c1ncnn1CC 1337854175 KFLVTACHMYRLJV-MRVPVSSYSA-N 178.239 0.756 30 20 ACED COC[C@H](NC[C@H](O)CC#N)C1CC1 1340742679 NAVXARPTAPXIML-ZJUUUORDSA-N 198.266 0.276 30 20 ACED Cn1ccc(C(=O)OC(C)(C)C#N)n1 1358009478 YEIAHFGRWCGZCC-UHFFFAOYSA-N 193.206 0.879 30 20 ACED N#CCN1CCC[C@@H]2C[C@@]21C(=O)O 1601074619 JCSPZPWBZXVSNX-APPZFPTMSA-N 180.207 0.449 30 20 ACED CCCNC(=O)[C@@H](C)C#N 44808645 LFLYKPJNZZSQTD-LURJTMIESA-N 140.186 0.672 30 20 ACED CC[C@@H](CC#N)NC(=O)CCCCO 86087056 URJZPIPSOQZOLW-VIFPVBQESA-N 198.266 0.957 30 20 ACED CC1(C)CO[C@@H](C#N)CN1 87204516 PAVWPDHCKUIXHO-LURJTMIESA-N 140.186 0.277 30 20 ACED C=CCCC(=O)N1CCC[C@@H]1CN 132879169 INPVMJYQZMUCHA-SECBINFHSA-N 182.267 0.902 30 20 ACED C#CC(=O)CC1(N)CCCC1 135344144 BRTOGIOQOAOLAM-UHFFFAOYSA-N 151.209 0.850 30 20 ACED C=CCN1CC[C@H]([C@@H](C)N)C1 156914191 YDCYADJIBXVBQC-BDAKNGLRSA-N 154.257 0.842 30 20 ACED C=CCNC(=O)COc1cccnc1 162375532 WZVRIWPGWAWRAV-UHFFFAOYSA-N 192.218 0.763 30 20 ACED CC(=O)CCC(=O)NC[C@@H](C)C#N 203575746 CNLOEQWYCUZBPK-ZETCQYMHSA-N 182.223 0.631 30 20 ACED CC[C@@H](C#N)C(=O)NCCC[C@@H](C)O 227807417 VAMXFSNCCQIPSX-BDAKNGLRSA-N 198.266 0.813 30 20 ACED CC1(C)OC[C@H](COCC=O)O1 238177573 DGFHKZVVVFFZSC-ZETCQYMHSA-N 174.196 0.353 30 20 ACED COC[C@@]1(C=O)CCCOC1 306170575 HLBVVOBVPAHJSJ-QMMMGPOBSA-N 158.197 0.629 30 20 ACED C#CC(=O)N(C)Cc1nccs1 306178881 ZMDSPRFVYGWVFM-UHFFFAOYSA-N 180.232 0.735 30 20 ACED C=C[C@@H](C)NC(=O)c1ccon1 306279381 YPWYAEKKMFXKPE-ZCFIWIBFSA-N 166.180 0.979 30 20 ACED C[C@@H](C#N)NC(=O)c1cnsn1 306363838 ZKXSBJMNNOXFSA-BYPYZUCNSA-N 182.208 0.180 30 20 ACED N#Cc1ccc(N[C@@H]2CC[C@H]2O)nc1 306391658 FAFHQVYYTUCYAU-RKDXNWHRSA-N 189.218 0.888 30 20 ACED CCC(=O)NC1(C#N)CCC1 306461399 ISLSIZJYPIYAHS-UHFFFAOYSA-N 152.197 0.959 30 20 ACED C/N=C(\NC)NC[C@H]1CC1(C)C 306869144 RQSBXRMUMJPRCW-SSDOTTSWSA-N 169.272 0.827 30 20 ACED CCO[C@H](CC)C(=O)NO 306887696 UWMYEPURFHRLLZ-RXMQYKEDSA-N 147.174 0.307 30 20 ACED C#CCOC(=O)C1=COCCO1 306969634 SKBZHJCPQHLQER-UHFFFAOYSA-N 168.148 0.051 30 20 ACED C=C[C@@H](C)NC(=O)c1cn(C)nn1 307720589 PAVOGTPWPYYWFJ-ZCFIWIBFSA-N 180.211 0.119 30 20 ACED C=C(C)COC(=O)[C@@H](O)COC 307992800 UQTRBQSCQQLZKA-ZETCQYMHSA-N 174.196 0.113 30 20 ACED C#CCCCNC(=O)COCC=C 308281229 XWBCLFXXIJARQI-UHFFFAOYSA-N 181.235 0.719 30 20 ACED C=CCCOC(=O)C1(C(N)=O)CC1 308418107 RMNHYKGKESPHRI-UHFFFAOYSA-N 183.207 0.371 30 20 ACED CC#CCN1C[C@@H](C(=N)O)O[C@H](C)C1 335158530 PYSFYSCTIKHMIY-BDAKNGLRSA-N 196.250 0.634 30 20 ACED C=CCN(C)C(=O)[C@@H]1CCOC1 336283626 OVJUSGGVEBVZEM-MRVPVSSYSA-N 169.224 0.667 30 20 ACED CCn1ncn(N=CC(C)C)c1=O 388232055 MVYSIZONTSGCAF-UHFFFAOYSA-N 182.227 0.555 30 20 ACED CNC(=S)NN=Cc1ccn(C)c1 393718607 YHCRABPHZKRGQY-UHFFFAOYSA-N 196.279 0.453 30 20 ACED C=CC[C@@H](C)NC(=O)C1(C)CNC1 399258530 NHRAQFRLWYUDPD-MRVPVSSYSA-N 182.267 0.677 30 20 ACED C#CCNC(=O)CC1(COC)CC1 401453979 QJVFSLHFGZKEHZ-UHFFFAOYSA-N 181.235 0.553 30 20 ACED CO[C@@H](C(=O)N(C)[C@H](C)C#N)C1CC1 602423492 UMIVGYOKPYUDBI-VXNVDRBHSA-N 196.250 0.782 30 20 ACED C=CCCNC(=O)N(C)CC(C)(C)N 659562005 WSEHIWJVLIEEPD-UHFFFAOYSA-N 199.298 0.941 30 20 ACED C=CCN(CC=C)C[C@H]1CNC(=O)C1 659838731 OQKQMKAZXIIYMB-SNVBAGLBSA-N 194.278 0.797 30 20 ACED CCN(CC#CCOC)CCCO 677820238 KBSRHBNGAQJBHV-UHFFFAOYSA-N 185.267 0.341 30 20 ACED C#CC[C@H](CO)NCc1cc(C)on1 720413718 TVBJEZPXWTVUET-SECBINFHSA-N 194.234 0.457 30 20 ACED C#CCNC(=O)NCc1ccn(C)c1 747948564 RKRBVICLJMEZPW-UHFFFAOYSA-N 191.234 0.458 30 20 ACED C#CCCCC(=O)N[C@H](CO)C1CC1 760486731 STSJCYHPZCIZKM-SNVBAGLBSA-N 195.262 0.677 30 20 ACED C#CCN(CC)C[C@@H](O)CCOCC 766052182 MTPRRGCCMPWGTQ-NSHDSACASA-N 199.294 0.729 30 20 ACED C#C[C@H](C)N(C)c1cc(C#N)ncn1 767439997 PMEZUBGTTINONV-QMMMGPOBSA-N 186.218 0.806 30 20 ACED C#CCNC(=O)Cc1ccncc1C 776645342 MRVMYBZVNZMXDG-UHFFFAOYSA-N 188.230 0.682 30 20 ACED C#C[C@H](CCC)NC(=O)N(C)OC 820654618 PWJKEUYRIMSZBQ-MRVPVSSYSA-N 184.239 0.991 30 20 ACED C#CCCNC(=O)N[C@@H]1CO[C@@H](C)C1 825995848 XPAJSYONNVIXEX-IUCAKERBSA-N 196.250 0.486 30 20 ACED C/C=C(\C)C(=O)N(CC#N)CCOC 837236494 YJOJZHJZJQTYBK-RUDMXATFSA-N 196.250 0.951 30 20 ACED C#CCCCNC(=O)C#CC1CC1 837441151 TUZXQLIJOIBKRC-UHFFFAOYSA-N 175.231 0.929 30 20 ACED C=CCNC(=N)NCCCN(C)C 848980403 JOUHPVLPSFIZKS-UHFFFAOYSA-N 184.287 0.238 30 20 ACED C=C[C@H](CO)N[C@@H]1CC[C@@H](OC)C1 852714563 VDUIXOYDANIEFX-OPRDCNLKSA-N 185.267 0.690 30 20 ACED COC/C=C/C(=O)N(CC#N)C1CC1 864999334 UKLOLZKYCLCKJO-NSCUHMNNSA-N 194.234 0.704 30 20 ACED C[C@@H]1COCC1=NN1CCOCC1 884376130 YPFIYUCMQSGDFS-MRVPVSSYSA-N 184.239 0.341 30 20 ACED C[C@@H](C#N)CNC(=O)N1C[C@H]2C[C@H]2C1 888778577 GLYSIEWSFVUHGZ-XHNCKOQMSA-N 193.250 0.807 30 20 ACED CC(=O)OC[C@H](C)NC[C@@H](C)C#N 893543397 BPSBIYJNSPGRGY-YUMQZZPRSA-N 184.239 0.687 30 20 ACED C=C(C)CN(C)C(=O)CCO 902919257 ZJTPBCPTEXGUFW-UHFFFAOYSA-N 157.213 0.403 30 20 ACED CC[C@@](C)(C#N)C(=O)N[C@@H](C)C(=O)O 923057777 QYFKTQHAWZZQSW-RCOVLWMOSA-N 198.222 0.516 30 20 ACED C#CCCN1CC(NC(=O)CC)C1 1030040584 SZGONHCZDALTAB-UHFFFAOYSA-N 180.251 0.220 30 20 ACED CC#CCNCCNC(=O)/C(C)=C/C 1125451650 ZNQSCBWLXAOFPM-BJMVGYQFSA-N 194.278 0.682 30 20 ACED CC[C@H](O)c1cn(CC#N)nn1 1330751098 ZLODEILKSLDJKX-ZETCQYMHSA-N 166.184 0.245 30 20 ACED C=C[C@H](C(=O)O)N(C)c1ccn(C)n1 1588663019 BJTMDMFLIKEYJN-SSDOTTSWSA-N 195.222 0.496 30 20 ACED C=C(CO)CN1CCC[C@]1(C)C(=O)O 1776141870 SOWSGBVQZQFLSA-SNVBAGLBSA-N 199.250 0.474 30 20 ACED C#CCNc1ccc(C(=O)O)nn1 37461810 AERHWPYHAWOEOM-UHFFFAOYSA-N 177.163 0.220 30 20 ACED C[C@H](CO)Nc1nccnc1C#N 54377277 CWVNEVGKTMNOOF-ZCFIWIBFSA-N 178.195 0.141 30 20 ACED C=C(C)CN1CC[C@H](C(=O)O)C1 62134130 VTBXYGKGQRQTTH-QMMMGPOBSA-N 169.224 0.969 30 20 ACED CCOC[C@H](O)CN(C)CCC#N 69630457 FRUZZGVIPLCTRO-SECBINFHSA-N 186.255 0.229 30 20 ACED N#Cc1ncn(CC2CCC2)n1 83842029 IQEVCERFIXNELF-UHFFFAOYSA-N 162.196 0.950 30 20 ACED C=C(C)CN(CC)C(=O)c1cn[nH]n1 88353697 NOWMHMMLQGAPGT-UHFFFAOYSA-N 194.238 0.843 30 20 ACED C[C@@H](O)C[C@@H](C)NC(=O)CC#N 126918417 JUVNDYPRNYEBMV-RNFRBKRXSA-N 170.212 0.176 30 20 ACED C[C@@H](CC(N)=O)NCCCCC#N 129350393 JFKGSSYZZINYPL-QMMMGPOBSA-N 183.255 0.534 30 20 ACED C=CCN(C)C(=O)[C@@H]1CCC[C@@H]1N 131148635 JZSJJBXGGHZPPG-BDAKNGLRSA-N 182.267 0.758 30 20 ACED CO[C@H](C)CCC(=O)N(C)CC#N 164086615 RHJRFERTGKGQIS-MRVPVSSYSA-N 184.239 0.783 30 20 ACED C#C[C@@H](CC)NC(=N)NC(C)C 233900750 MCALCSZHORJADO-QMMMGPOBSA-N 167.256 0.921 30 20 ACED Oc1ccccc1C=Nn1cnnc1 252605609 GKPHOGZVUNCBKS-UHFFFAOYSA-N 188.190 0.866 30 20 ACED C=C(Cl)CN1C[C@@H](O)C[C@H]1CO 306392495 DSJBBCIYNKDKKT-YUMQZZPRSA-N 191.658 0.166 30 20 ACED C/N=C(\NC)NC[C@H]1CCCCO1 306584317 ROGCHHZJTZCRFP-MRVPVSSYSA-N 185.271 0.350 30 20 ACED CN(C)C(=O)N1CC(C)(C#N)C1 306958097 VAEVNRZCFYYIEX-UHFFFAOYSA-N 167.212 0.513 30 20 ACED C[C@@H](O)CN1CC[C@](F)(C#N)C1 307328635 VZCDCGJFIXNSFW-SFYZADRCSA-N 172.203 0.305 30 20 ACED C=C(C)CS(=O)(=O)NCCCF 307972666 ZKTLXJLVKBEIDK-UHFFFAOYSA-N 195.259 0.842 30 20 ACED C=C(CC)COC(=O)[C@@H](O)COC 308197204 RYCSBFLKVNSCBM-QMMMGPOBSA-N 188.223 0.503 30 20 ACED C#C[C@@H](C)NC(=O)N[C@H](CC)CO 308283815 ZGPJTJSRWHZTNY-HTQZYQBOSA-N 184.239 0.078 30 20 ACED COC[C@H](NCC#N)[C@@H]1CCCO1 308404957 JCSYIPAJFPNHGI-IUCAKERBSA-N 184.239 0.294 30 20 ACED CC#CCN[C@](C)(COC)C(=O)OC 308515130 MLLHWTIQMUNHSA-SNVBAGLBSA-N 199.250 0.177 30 20 ACED C[C@@H]1C[C@@H](C)N(CC(=O)NCC#N)C1 334396044 BUABNXXOEPRLGQ-RKDXNWHRSA-N 195.266 0.356 30 20 ACED C=CCCN1C[C@@H](O)[C@H](OC)C1 395304311 LWBBSEDDDMDVAX-RKDXNWHRSA-N 171.240 0.254 30 20 ACED CCOCC(=O)N[C@@]1(C#N)CC1(C)C 589812421 HBUMCLGGNYUPED-SNVBAGLBSA-N 196.250 0.831 30 20 ACED C[C@H](CC#N)N(C)CCc1cnn[nH]1 590603882 QFHXOUDEROTHPE-MRVPVSSYSA-N 193.254 0.581 30 20 ACED 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