Molecule_ID,SMILES,InChI_Key
rxn:4:178751:223199,O=C(c1c(Cl)cccc1-c1cccc(C2CCNC2)c1)C(F)(F)F,AXUKUSFWSITRDH-UHFFFAOYSA-N
rxn:4:181259:226191,Fc1ccc(C2CCCC2)cc1-c1ccc(S(F)(F)(F)(F)F)cc1,YQVNEQRRCTUOBJ-UHFFFAOYSA-N
rxn:4:181706:226146,FC1CC(c2ccc(-c3ccc(SC4CCCC4)cc3)cc2)C1,VJESOBVHASSYQV-UHFFFAOYSA-N
rxn:4:183273:223279,c1cc2c(cc1-c1cnc(C3CCCN3)nc1)OCCOCCOCCOCCOCCOCCO2,RXHWTNUDQYWMJO-UHFFFAOYSA-N
rxn:4:188736:228766,CCc1ccc(-c2cc([N+](=O)[O-])c(OC)cc2OC)c(F)n1,MSCQWFJKKXUNEN-UHFFFAOYSA-N
rxn:4:192583:228722,Cc1c(C#N)cncc1-c1cccc(F)c1C(=O)N1CCC1,HMLMSCBWHHKKDD-UHFFFAOYSA-N
rxn:4:193556:226815,Cc1ccc(C(=O)N2CCOCC2)cc1-c1cnc(-c2ccsc2)nc1Cl,NYKDZZOQGUFFQS-UHFFFAOYSA-N
rxn:4:193905:222405,O=C1NC(=O)C(c2cccc(-c3ccc(N4CCCCC4)cc3C3CC3)c2)N1,ATWWFOLFSYXAQY-UHFFFAOYSA-N
rxn:4:194962:222965,CCCC(=O)NCc1ccc(-c2cccnc2S(=O)[O-])cc1,DMVNTQSIXKFQDA-UHFFFAOYSA-M
rxn:4:195210:225300,Fc1nc(OC2CCOCC2)ccc1-c1ccnc(C(F)(F)F)c1Cl,XXGQHZCBEBEACQ-UHFFFAOYSA-N
rxn:4:195288:222922,CC(=O)n1cccc1-c1ccccc1S(=O)(=O)NC(C)(C)C,CPQZNHFJRPPOQH-UHFFFAOYSA-N
rxn:4:196845:227907,CCC(C)c1cncc(-c2ccc(C3CCSCC3)nc2)c1,WWGRKALGJRUVST-UHFFFAOYSA-N
rxn:4:200698:224424,CCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(C)C)CC4)c(C(=O)OC)c3)cc2)CC1,CLSISQRGSXVMAP-UHFFFAOYSA-N
rxn:4:201588:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cccc(N(C)CCN(C)C)c3)cc2)CC1,YFVMAOXHXVSNCJ-YHBQERECSA-N
rxn:4:202862:223221,COC(=O)Cn1cc(-c2cccc(CNC(C)=O)c2)cn1,YNEPCQMMHAFRQT-UHFFFAOYSA-N
rxn:4:202978:225332,CCOc1ccc(OC(F)(F)F)cc1-c1cnc(C=C[CH+]C(=O)[O-])nc1,BOTSFLKSELLLJW-UHFFFAOYSA-N
rxn:4:202978:228385,Cc1cc(-c2cnc(C=C[CH+]C(=O)[O-])nc2)ccc1[N+](=O)[O-],KUNAJWMRRQPSTR-UHFFFAOYSA-N
rxn:4:203161:228349,CN(C)C(=O)c1cccc([N+](=O)[O-])c1-c1cnn(C2CCOC2)c1,FNLDHLMKHPIOFK-UHFFFAOYSA-N
rxn:4:206043:228131,C[Si](C)(C)C#Cc1cnc(-c2cc(F)cc(CC#N)c2)cn1,XPDHZUXUVXXAJD-UHFFFAOYSA-N
rxn:4:208033:225191,Fc1cc(OC2CCCCC2)ncc1-c1ncc(C(F)F)[nH]1,SNOUXZFDLFWPMI-UHFFFAOYSA-N
rxn:4:208038:222811,CC(C)(C)OC(=O)Nc1cc(-c2cnc(Cl)cc2C#N)cc(Cl)n1,KGVFTXKCWPCIDT-UHFFFAOYSA-N
rxn:4:208249:225163,CCn1nccc1-c1ccccc1C(=O)N1CCOCC1,FEBHEWUTFAJQOX-UHFFFAOYSA-N
rxn:4:208403:225879,Cc1cnc(-c2ccc(N3CCOCC3)cc2F)cc1[N+](=O)[O-],NBUYSNSVVQWIJR-UHFFFAOYSA-N
rxn:4:210106:223008,N#Cc1cnc2c(F)cc(-c3cc(C4CCNCC4)ccc3F)cc2c1Cl,FLLPCGDLNDBDMZ-UHFFFAOYSA-N
rxn:4:217924:222723,Cn1cnnc1-c1cccc(NS(=O)(=O)N2CCOCC2)c1,JIRZLBDTRFPEQB-UHFFFAOYSA-N
rxn:4:218992:223151,CS(=O)(=O)N1CCC(C(=O)N2CC(Cn3cc(-c4ccc(C(=O)NCC#N)cc4)cn3)C2)CC1,JLBSUJGMEOKGKW-UHFFFAOYSA-N
rxn:4:221453:223239,Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(-c4cncc(C5CCCN5)c4)cc3)CC2)n1,SIDHSTZBZNNOKO-UHFFFAOYSA-N
rxn:4:180895:222976,Cc1cc(-c2ccccc2C(=O)F)ccc1C(=O)NC1CC1,VQQREKCCVYHFPN-UHFFFAOYSA-N
rxn:4:181705:226064,FC1CC(c2cccc(-c3ccc(C4CCCCC4)cc3)c2)C1,PJQAOYROQGDZDA-UHFFFAOYSA-N
rxn:4:181705:226069,FC1CC(c2cccc(-c3cccc(C4CCCCC4)c3)c2)C1,CBJQQJSOOQCLRM-UHFFFAOYSA-N
rxn:4:181705:226919,FC1CC(c2cccc(-c3cccc(C4CCCC4)c3)c2)C1,JVIGZAYDSMHKJA-UHFFFAOYSA-N
rxn:4:181706:225433,FC1CC(c2ccc(-c3ccc(CSC4CCCC4)cc3)cc2)C1,HEVSDJAKNRCSHP-UHFFFAOYSA-N
rxn:4:181706:226069,FC1CC(c2ccc(-c3cccc(C4CCCCC4)c3)cc2)C1,LZNFYNNIEOOCMX-UHFFFAOYSA-N
rxn:4:188746:228570,FC1(F)CC1COc1ccc(-c2cncc(C3CC3)c2)nc1,HTDZWBQUFZOLFM-UHFFFAOYSA-N
rxn:4:191857:223270,COC(=O)c1c(-c2ccc(F)cc2NC(C)=O)ccn1C,ONRJBZWZYSFFMJ-UHFFFAOYSA-N
rxn:4:194961:223052,CC(C)NC(=O)c1cccc(-c2cncc(S(=O)[O-])c2)c1F,AOLHKASNWUOWSN-UHFFFAOYSA-M
rxn:4:194962:223071,CCS(=O)(=O)NCc1ccc(-c2cccnc2S(=O)[O-])cc1,YYCPNDIPRRWGCQ-UHFFFAOYSA-M
rxn:4:194962:223092,CN(C)S(=O)(=O)Nc1cccc(-c2cccnc2S(=O)[O-])c1,YNSXMCFWQJXNKY-UHFFFAOYSA-M
rxn:4:195055:223021,COCCNC(=O)c1cccc(-c2cocc2S(N)(=O)=O)c1,WZQGIBRGPLVJSL-UHFFFAOYSA-N
rxn:4:195426:222405,CC(=O)c1ccncc1-c1cccc(C2NC(=O)NC2=O)c1,FDINBDBHPSBYKJ-UHFFFAOYSA-N
rxn:4:195578:222405,NS(=O)(=O)c1ccc(-c2cccc(C3NC(=O)NC3=O)c2)cc1,JSNBVKQFFNNKMU-UHFFFAOYSA-N
rxn:4:195579:226567,COC(=O)C(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1,DFUBRFDMFQIVPU-UHFFFAOYSA-N
rxn:4:195591:226332,CS(=O)(=O)c1ncccc1-c1ccccc1C(=O)N1CCC1,WZOIHDCANIJNBF-UHFFFAOYSA-N
rxn:4:195689:223224,CCNC(=O)c1ccc(-c2cccc(F)c2S(N)(=O)=O)cc1,LBURUSDSBWQKQE-UHFFFAOYSA-N
rxn:4:196314:223308,CCNCc1ccccc1-c1ccccc1N1CCOC1=O,BSMXCJORQKRJRA-UHFFFAOYSA-N
rxn:4:196826:228216,Clc1c(-c2ccc(C3CCCCO3)cn2)cncc1C1CC1,VOZXPFIFZFRWPU-UHFFFAOYSA-N
rxn:4:202989:228974,COC(=O)Cc1nn(C)cc1-c1cnn(S(C)(=O)=O)c1,PEWFYIPTJUFVPN-UHFFFAOYSA-N
rxn:4:208127:223029,CC(C)OC(=O)Nc1ccc(-c2ccncc2[N+](=O)[O-])cc1,BIHSFTFMFLTCMQ-UHFFFAOYSA-N
rxn:4:208250:225163,CCc1n[nH]cc1-c1ccccc1C(=O)N1CCOCC1,YCPQWJPLTUMGRP-UHFFFAOYSA-N
rxn:4:208975:226449,CC1(c2ccccc2-c2nccn2C2CCOC2)OCCO1,KHMOHTRYBZFVPT-UHFFFAOYSA-N
rxn:4:208977:226449,CC1(c2ccccc2-c2nccn2C2CCCO2)OCCO1,NASKUHQKLIAPMK-UHFFFAOYSA-N
rxn:4:209804:223285,Cc1ccnc(N2CCOCC2)c1-c1ccccc1NS(C)(=O)=O,SGNADUCOFZXZES-UHFFFAOYSA-N
rxn:4:210690:223355,CNC(=O)c1ccccc1-c1cnn(C)c1C12COCCC1O2,SVBVYKYOQNIQII-UHFFFAOYSA-N
rxn:4:217938:222682,COc1cccc(-c2c(C)nnn2C)c1NC(=O)OC(C)(C)C,MOSWXZKZBADJOF-UHFFFAOYSA-N
rxn:4:179268:225089,CCCCCOc1ccc(-c2ccc(OC3CC3(F)F)cc2)c(F)c1F,BNQNGFBLNZJLMZ-UHFFFAOYSA-N
rxn:4:179813:223289,CNS(=O)(=O)c1ccccc1-c1ccc(C)c(C)c1C(=O)OC,UJXIWPMABMEUFX-UHFFFAOYSA-N
rxn:4:181239:223225,CCNC(=O)c1ccccc1-c1c(F)ccc(F)c1C(C)=O,NAWKKVGWHHWPIK-UHFFFAOYSA-N
rxn:4:181259:225395,CC(C)(C)c1cc(-c2ccc(S(F)(F)(F)(F)F)cc2)cc(C2CC2)c1,NVVPZYMUDPITLQ-UHFFFAOYSA-N
rxn:4:181259:226145,FS(F)(F)(F)(F)c1ccc(-c2ccc(OC3CCCC3)cc2)cc1,GKGFRUCNQBQVIK-UHFFFAOYSA-N
rxn:4:181357:223200,CC(F)(F)c1ccc(-c2ccc(C3CCNC3)cc2)cc1F,FNQXBWWNRUHLEU-UHFFFAOYSA-N
rxn:4:189821:228755,COc1cncc(-c2c(OC)cccc2C(=O)N2CCCC2)c1C,SCISQPVOYOQXBW-UHFFFAOYSA-N
rxn:4:192573:228734,COc1nccc(C)c1-c1ccc(F)cc1C(=O)N1CCC1,HDCKUDVDFSXPNH-UHFFFAOYSA-N
rxn:4:192580:228755,COc1cncc(-c2cnc(OC3CCSC3)c(F)c2)c1C,XJKUNTUSHPZMMI-UHFFFAOYSA-N
rxn:4:192595:228735,COc1cncc(C)c1-c1c(F)cccc1C(=O)N1CCC1,HCXORDKUZVKJOI-UHFFFAOYSA-N
rxn:4:194940:223075,O=S([O-])c1cccc(-c2ccc(NS(=O)(=O)C3CC3)cc2)n1,UJRPSDKPBUYWRX-UHFFFAOYSA-M
rxn:4:194962:223095,CC(=O)Nc1cccc(-c2cccnc2S(=O)[O-])c1[N+](=O)[O-],OTPJUWAOCGFOEO-UHFFFAOYSA-M
rxn:4:195053:222975,Cc1cc(C(=O)NC2CC2)ccc1-c1ccoc1S(N)(=O)=O,FWHATPSODBBCNP-UHFFFAOYSA-N
rxn:4:195053:223020,N#CCCNC(=O)c1ccc(-c2ccoc2S(N)(=O)=O)cc1,VUFIPJOSEYNIOM-UHFFFAOYSA-N
rxn:4:195580:226553,COC(=O)c1c(OC)cccc1-c1cccc(S(N)(=O)=O)c1,XHOWWPDNPWWQCO-UHFFFAOYSA-N
rxn:4:195584:223156,CCNC(=O)c1ccc(F)c(-c2cnccc2S(C)(=O)=O)c1,JWUQGWBCWOLZOQ-UHFFFAOYSA-N
rxn:4:195591:223177,CS(=O)(=O)NCc1ccc(-c2cccnc2S(C)(=O)=O)cc1,NRQVQGRREFJOBR-UHFFFAOYSA-N
rxn:4:195591:223189,CS(=O)(=O)Nc1ccc(-c2cccnc2S(C)(=O)=O)c(F)c1,XRHVXEDJCAMEGB-UHFFFAOYSA-N
rxn:4:195629:225616,Cc1ccc(F)c(-c2ccccc2C(=O)N2CCCC2)c1[N+](=O)[O-],UMMFALKHYAGUHF-UHFFFAOYSA-N
rxn:4:195689:223223,CCNC(=O)c1cccc(-c2cccc(F)c2S(N)(=O)=O)c1,KTHHWOYVBBUQJZ-UHFFFAOYSA-N
rxn:4:195689:223254,CC(=O)NCc1cncc(-c2cccc(F)c2S(N)(=O)=O)c1,FIPPODZXWAYDNE-UHFFFAOYSA-N
rxn:4:201287:228761,COc1cc(-c2cnc(OCC(C)(F)F)c(C#N)c2)cnc1C,RWSOYTZHMKVQNE-UHFFFAOYSA-N
rxn:4:205386:226332,CCn1ncc(-c2ccccc2C(=O)N2CCC2)c1C(C)=O,XUHZTGUHFKYIEO-UHFFFAOYSA-N
rxn:4:208094:222972,CC(C)(C)C(=O)Nc1ccccc1-c1nccn1C(F)(F)F,HUUUSPAUUMKVHV-UHFFFAOYSA-N
rxn:4:208216:225163,CC(=O)c1[nH]ncc1-c1ccccc1C(=O)N1CCOCC1,IGMNOUKCWLPOEK-UHFFFAOYSA-N
rxn:4:208239:222936,CCC(=O)NS(=O)(=O)c1ccc(-c2c[n+]([O-])ccc2[N+](=O)[O-])cc1,XQGLMXBEQDORED-UHFFFAOYSA-N
rxn:4:208288:225163,Cn1c(C(F)F)cnc1-c1ccccc1C(=O)N1CCOCC1,DTIZXRNUNXVFLU-UHFFFAOYSA-N
rxn:4:208977:226415,c1ccc(N2CCOCC2)c(-c2nccn2C2CCCO2)c1,DCUPVXFXPFMCHU-UHFFFAOYSA-N
rxn:4:209803:223355,CNC(=O)c1ccccc1-c1ccc(N2CCOCC2)nc1C,JFHCCPOQSGYKID-UHFFFAOYSA-N
rxn:4:221940:227902,CCc1cc(-c2cnc(OCC3CCN(Cc4nncn4C)CC3)nc2)ccc1C#N,DGNOALYSMZCPQA-UHFFFAOYSA-N
rxn:4:177293:225089,CCCCCOc1ccc(-c2ccc(F)c(OCC(C)C)c2)c(F)c1F,PIBTZNMZHZNJPF-UHFFFAOYSA-N
rxn:4:177484:225089,CCCCCOc1ccc(-c2ccc(OCC3CC(F)(F)C3)cc2)c(F)c1F,ZQSVUFWCBKEBBS-UHFFFAOYSA-N
rxn:4:181259:224426,FS(F)(F)(F)(F)c1ccc(-c2cc(C3CCCCC3)cc(C3CC3)c2)cc1,PQMBGWHZMHGQSY-UHFFFAOYSA-N
rxn:4:181259:226146,FS(F)(F)(F)(F)c1ccc(-c2ccc(SC3CCCC3)cc2)cc1,ZXSYWPILBHUHLM-UHFFFAOYSA-N
rxn:4:181706:225451,FC1CC(c2ccc(-c3ccc(SC4CCCCC4)cc3)cc2)C1,RLTZOJUUDOEBLG-UHFFFAOYSA-N
rxn:4:191379:223174,CCS(=O)(=O)Nc1ccc(-c2ccccc2C(F)(F)C#N)cc1,HZLORGUESJLIEJ-UHFFFAOYSA-N
rxn:4:192580:228748,COc1cc(C)c(-c2cnc(OC3CCSC3)c(F)c2)cn1,QDNMEBGNCLJMDX-UHFFFAOYSA-N
rxn:4:192583:228750,CC(=O)c1cncc(-c2cccc(F)c2C(=O)N2CCC2)c1,CXRRPEWXBZRDPJ-UHFFFAOYSA-N
rxn:4:192595:228705,CN(C)c1ncccc1-c1c(F)cccc1C(=O)N1CCC1,KZVMMRFELWCESE-UHFFFAOYSA-N
rxn:4:194961:223020,N#CCCNC(=O)c1ccc(-c2cncc(S(=O)[O-])c2)cc1,IQLSTAZQUIIVJV-UHFFFAOYSA-M
rxn:4:194962:222963,CCCNC(=O)Cc1ccc(-c2cccnc2S(=O)[O-])cc1,DBKXRVDBPPBJFI-UHFFFAOYSA-M
rxn:4:195053:223028,CCCNC(=O)c1ccc(F)c(-c2ccoc2S(N)(=O)=O)c1,ZYSRGVTXRJIWRJ-UHFFFAOYSA-N
rxn:4:195572:223115,CC(=O)NCCc1ccc(-c2ccncc2S(C)(=O)=O)cc1,HIBIBLIZONBYJW-UHFFFAOYSA-N
rxn:4:195579:226584,CN(C)C(=O)c1ccc(-c2ccccc2S(N)(=O)=O)c(Cl)c1,FLFWMLUYXBGWMW-UHFFFAOYSA-N
rxn:4:195591:226319,CS(=O)(=O)c1ncccc1-c1ccc(C(=O)N2CCC2)cc1,HKPYYJVJDUFZDL-UHFFFAOYSA-N
rxn:4:195657:225616,Cc1cnc(-c2ccccc2C(=O)N2CCCC2)c(C(F)(F)F)c1,IODDLDSEHPDMSL-UHFFFAOYSA-N
rxn:4:195658:225616,Cc1ccnc(-c2ccccc2C(=O)N2CCCC2)c1C(F)(F)F,GZXKRITXEPXSIJ-UHFFFAOYSA-N
rxn:4:196605:228195,Cc1nn(C(C)(C)C)cc1-c1ccccc1N1CCCC1=O,DCQQRKMYHKZKJA-UHFFFAOYSA-N
rxn:4:196994:228601,CC(=O)c1ccccc1-c1c(C)cccc1N1CCOCC1=O,GZLLUMMEUNQVGV-UHFFFAOYSA-N
rxn:4:197031:227803,Cc1cccc(N2CCCCC2=O)c1-c1ccnn1S(=O)(=O)N(C)C,MEXABZBTJASHKB-UHFFFAOYSA-N
rxn:4:202964:226340,CCCOc1cnc(-c2cc(C#N)cc(C3CC3)c2Cl)nc1,VTNZPFMYDKLHFU-UHFFFAOYSA-N
rxn:4:202978:226089,CCN(CC)Cc1ccccc1-c1cnc(C=C[CH+]C(=O)[O-])nc1,PZNWSUPRPBYUJU-UHFFFAOYSA-N
rxn:4:203046:228247,CC(=O)c1ccc(F)c(-c2cc(COS(C)(=O)=O)nn2C)c1,NTUGSTBXQMYQAT-UHFFFAOYSA-N
rxn:4:203161:227553,COC(=O)c1ccc(-c2c(C(=O)N(C)C)cccc2[N+](=O)[O-])c(Cl)c1,SMLDDIHXHUMCDX-UHFFFAOYSA-N
rxn:4:203161:228387,COc1cc(=O)n(C)cc1-c1c(C(=O)N(C)C)cccc1[N+](=O)[O-],DHUMOHHDIXHWLQ-UHFFFAOYSA-N
rxn:4:208122:223022,COCCNC(=O)c1ccc(-c2ncccc2[N+](=O)[O-])cc1,YHOSMFRVAOHUNG-UHFFFAOYSA-N
rxn:4:208130:223023,CN(C)C(=O)NCc1ccc(-c2cnsc2S(N)(=O)=O)cc1,ZCNIRYUXIXEQCK-UHFFFAOYSA-N
rxn:4:209804:223355,CNC(=O)c1ccccc1-c1c(C)ccnc1N1CCOCC1,JYHMWBOIBPHEFU-UHFFFAOYSA-N
rxn:4:179012:226312,CCOc1cccc(F)c1-c1ccccc1C(=O)OC(C)C,AZBVIJHCJQRTTO-UHFFFAOYSA-N
rxn:4:181147:223000,CSc1ccc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)c1F,ZNHBXRCVGZOVKM-UHFFFAOYSA-N
rxn:4:181637:227761,Fc1ccc(C2OCCO2)c(-c2ccc(F)cc2C(F)(F)F)c1,KFMHWIGGBWWRRE-UHFFFAOYSA-N
rxn:4:183224:227064,CC(C)(C)Oc1ccccc1-c1cccc2c1OC(C)(C)CC2,GEYXVOXOYQGTBX-UHFFFAOYSA-N
rxn:4:183870:229261,CC(C)(C)OC(=O)N1CC(COc2ccc(-c3ccnc(Cl)c3)cc2)C1,NRRMYXRFCUVYGP-UHFFFAOYSA-N
rxn:4:185754:225153,COc1ccccc1-c1ncc(-c2cncc(OC(C(F)(F)F)C(F)(F)F)c2)cn1,HOBZVTNYHKKOKO-UHFFFAOYSA-N
rxn:4:186346:224386,CC(C)COc1c(F)cc([N+](=O)[O-])cc1-c1cnc(-c2cccc(C(F)(F)F)c2)nc1,CYZAJBDRRXNWTF-UHFFFAOYSA-N
rxn:4:192580:228207,Fc1cc(-c2cc(C3CC3)cnc2F)cnc1OC1CCSC1,YCGBSVSLYUGXFB-UHFFFAOYSA-N
rxn:4:194940:223021,COCCNC(=O)c1cccc(-c2cccc(S(=O)[O-])n2)c1,UBOYXLQCBDADGM-UHFFFAOYSA-M
rxn:4:195689:223263,CNC(=O)c1ccc(F)c(-c2cccc(F)c2S(N)(=O)=O)c1,VHJHLPDIMXOAFA-UHFFFAOYSA-N
rxn:4:196227:226489,Cc1c(-c2ccc(OCCCF)c(Cl)c2)cncc1C1CC1,KKFSVAUWAUGWSW-UHFFFAOYSA-N
rxn:4:197263:222847,N#Cc1cc(-c2cnc3cc(C(F)(F)F)ccc3c2)cc(C2CCCNC2)c1,MGJIXQVXVUXADA-UHFFFAOYSA-N
rxn:4:201844:223137,CCN1CCN(c2cc(OC(F)(F)F)cc(-c3cncc(C4CCCNC4)c3)c2)CC1,QWCJKUOINAZBSZ-UHFFFAOYSA-N
rxn:4:202965:226340,CCCOc1ccc(-c2cc(C#N)cc(C3CC3)c2Cl)nn1,LMYYTCYBXSWTGN-UHFFFAOYSA-N
rxn:4:204915:222803,CCC1Oc2c(OC)cc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2C2CC(c3ccc(Cl)cc3)=NN12,CHJFKIWZOAMFPO-UHFFFAOYSA-N
rxn:4:209820:223357,CC(=O)Nc1ccccc1-c1c(C)nn(C2CCCCO2)c1C,GQRADIQGLKBUEX-UHFFFAOYSA-N
rxn:4:212746:223879,CCCc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)c(F)c2F)cc1,FVSJFMZYYJYOJH-UHFFFAOYSA-N
rxn:4:212748:222980,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(CN4CCNCC4)cc3)c2)CCN1C(=O)OC(C)(C)C,MIDGSXKRZKZMIC-UHFFFAOYSA-N
rxn:4:212748:223597,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,XBSJIEVWUDKAJO-UHFFFAOYSA-N
rxn:4:212748:223754,CC1CCN(CCCOc2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2Cl)CC1,LMMUKZSDJUNBOV-UHFFFAOYSA-N
rxn:4:212748:224846,CCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,MQGJWPYATDTSTB-UHFFFAOYSA-N
rxn:4:212748:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,WCZRBKKOLYUDJC-UHFFFAOYSA-N
rxn:4:212748:225542,CCCCCc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(F)c1F,WVAQXWHBGYTTPN-UHFFFAOYSA-N
rxn:4:212839:224600,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(-c5ccc(C)cc5)cc4F)ccn23)CC1,BFRGCZCANFTHNX-UHFFFAOYSA-N
rxn:4:213214:225430,CCCCOc1cc(C)c(-c2cc(C(=O)OC(C)(C)C)cc(N3CCN(CC)CC3)n2)c(C)c1,WWKJQWZGMYRBLT-UHFFFAOYSA-N
rxn:4:214339:222925,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5ccc(C6CNC6)c(C(F)(F)F)c5)ccc43)C2=O)cc1,XYQWKLMHPWCVSQ-UHFFFAOYSA-N
rxn:4:217274:225201,N#Cc1cnc2[nH]cc(-c3ccc(OC4CCCC4)c(F)c3F)cc1-2,LZCNEHZYRUJLRZ-UHFFFAOYSA-N
rxn:4:225274:212748,COCCOc1c(F)cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(C)c1F,OULBUBGTFLSJGA-UHFFFAOYSA-N
rxn:4:173535:222741,c1ccc(COc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2OCc2ccccc2)cc1,PUHHZBHKSDYEEG-UHFFFAOYSA-N
rxn:4:173551:222389,CC(C)(C)OC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,RWJLWVKOXUNXNY-UHFFFAOYSA-N
rxn:4:173642:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc12,CXHTYADPMQBKLF-UHFFFAOYSA-N
rxn:4:173661:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3C)cc12,XXFAKUMXRJLWKR-UHFFFAOYSA-N
rxn:4:189906:224006,COc1cc(CN2CCCC2)ccc1-c1cc2cc(OC(F)(F)F)ccc2nc1OC,ISSUBKLMKWKGCZ-UHFFFAOYSA-N
rxn:4:194517:223200,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)nc2c1,WWXRLGXIXGYKBF-UHFFFAOYSA-N
rxn:4:194579:222959,Cc1cc(-c2ccc(-c3cc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)ccc1C1CCNCC1,APSCQSXWERUTQH-UHFFFAOYSA-N
rxn:4:194579:223166,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(N5CCNCC5)nc4)cc3)[nH]c2c1,JNNRCUKJZVORHT-UHFFFAOYSA-N
rxn:4:194582:222405,O=C1NC(=O)C(c2cccc(-c3ccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)cc3)c2)N1,RZRFGUVRHDHLDL-UHFFFAOYSA-N
rxn:4:194582:223200,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)cc2c1,YFDBFXLRECLMQH-UHFFFAOYSA-N
rxn:4:194582:223240,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)nc4)cc3)cc2c1,NIXCFGZWIJLPLY-UHFFFAOYSA-N
rxn:4:195542:223062,Cc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1N=C=S,CFRYXYUGWRYNHH-UHFFFAOYSA-N
rxn:4:195600:227299,Cc1cc(N=C=S)c(F)cc1-c1cc(F)cc(CN(C)C)c1,AYNGSOSTDAEMLF-UHFFFAOYSA-N
rxn:4:200283:224390,O=[N+]([O-])c1ccc(OCCN2CCC(F)(F)C2)c(-c2cnc(-c3ccc(C(F)(F)F)cc3)nc2)c1,JUECMVOMLARRRQ-UHFFFAOYSA-N
rxn:4:202951:223743,COc1cc([N+](=O)[O-])cc(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)c1C#N,TVNPLRWBERGPLB-UHFFFAOYSA-N
rxn:4:203190:225861,Cc1cnn(-c2ccc(-c3cnc(OCC4CC(F)(F)C4)nc3)c(Cl)c2)c1,JCRLKMRLPGIMAL-UHFFFAOYSA-N
rxn:4:210394:225923,COc1ccc2c(Cl)ncnc2c1-c1cnc(OC2CCCC2)nc1Cl,NLLZYRUVYFAJCY-UHFFFAOYSA-N
rxn:4:212745:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,YJSPFHFUHYRPSG-HBPRZLDLSA-N
rxn:4:212745:224351,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,HAXOQTXZGWCBGJ-UHFFFAOYSA-N
rxn:4:212748:222889,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(F)cc(CN4CCNCC4)c3)c2)CCN1C(=O)OC(C)(C)C,NERJNTBPWAVBLS-UHFFFAOYSA-N
rxn:4:212748:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,HGVCGRJVWQFPLO-UHFFFAOYSA-N
rxn:4:212751:223753,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCN(C)CC1,PWMRPWSDNDIKRI-UHFFFAOYSA-N
rxn:4:212839:222854,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCCNC5)ccc4OC)ccn23)CC1,HUKFWHBPVXFREZ-UHFFFAOYSA-N
rxn:4:212839:224204,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(F)cc(OCc5ccccc5)cc4F)ccn23)CC1,SYVQKVMWQOAEQD-UHFFFAOYSA-N
rxn:4:222389:176005,Clc1c(OCc2ccccc2)ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1C1OCCO1,LVCJANDNRQXDBJ-UHFFFAOYSA-N
rxn:4:222646:212748,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,LTIIJMUQWDJSQY-UHFFFAOYSA-N
rxn:4:223597:212745,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,CJNTUXTWLUBSGA-UHFFFAOYSA-N
rxn:4:223668:212748,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(OCc4ccccc4)cc3OC(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,DNJUQFQQQFEBFQ-UHFFFAOYSA-N
rxn:4:183775:222389,Cc1csc(SCc2cc(=O)c(OC(=O)c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3Cl)co2)n1,UZLOTICHMCFMDD-UHFFFAOYSA-N
rxn:4:185581:226031,O=c1c(-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)F)cc2)coc2cc(OCCN3CCOCC3)ccc12,LMQLYVOEOCHZMW-UHFFFAOYSA-N
rxn:4:186425:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2ccc(OC(F)(F)F)cc2)c(C#N)c1,QOYYJLMJZPARAH-UHFFFAOYSA-N
rxn:4:194517:223240,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CCNC5)nc4)cc3)nc2c1,RWPLZCKJVYXJHD-UHFFFAOYSA-N
rxn:4:194517:223307,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc5c(c4)CCNC5)cc3)nc2c1,KHIMNZAPAVRYBK-UHFFFAOYSA-N
rxn:4:194517:223312,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4ccc(C5CNC5)cc4)cc3)nc2c1,KHAJWSSHHJFUMC-UHFFFAOYSA-N
rxn:4:194579:223200,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)[nH]c2c1,NAYRMLMUZMPFNS-UHFFFAOYSA-N
rxn:4:194582:222959,Cc1cc(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)ccc1C1CCNCC1,GTAPGAKOSUHTHD-UHFFFAOYSA-N
rxn:4:194582:223306,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc5c(c4)CNCC5)cc3)cc2c1,QAVJLUGQYUIVKS-UHFFFAOYSA-N
rxn:4:195146:225456,CN1CCC(c2ccc(-c3ccc(N=C=S)c(F)c3Cl)cc2)CC1,LSBRKXQDWLSALC-UHFFFAOYSA-N
rxn:4:198814:222925,Fc1cc2c(Cl)nccc2cc1-c1ccc(C2CNC2)c(C(F)(F)F)c1,DOHZPBCWUQNECZ-UHFFFAOYSA-N
rxn:4:205660:226134,Cc1c(-c2cnc(OC3CCSC3)nc2)cc(C#N)cc1C1CC1,DNTLJAHRTSCQEE-UHFFFAOYSA-N
rxn:4:205660:227675,COc1cc(-c2cnc(OC3CCSC3)nc2)c(F)c(F)c1C,VTDCHTKZELSNAW-UHFFFAOYSA-N
rxn:4:206042:228209,Cc1cc(Cl)c(-c2ncc(C#C[Si](C)(C)C)cn2)cc1C#N,MHFRCKDEJZXJAL-UHFFFAOYSA-N
rxn:4:206043:228209,Cc1cc(Cl)c(-c2cnc(C#C[Si](C)(C)C)cn2)cc1C#N,TXFIJQIMJZBZKO-UHFFFAOYSA-N
rxn:4:206867:222699,CN1CCN(C(=O)c2cc(F)cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2)CC1,NQDMJPONBWGTCZ-UHFFFAOYSA-N
rxn:4:207843:222629,CCN1CCN(C2CCCc3cc(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)ccc32)CC1,BGTIXNSXIGSHNR-UHFFFAOYSA-N
rxn:4:212745:223754,CC1CCN(CCCOc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2Cl)CC1,UNUFRZNQZKCKTN-UHFFFAOYSA-N
rxn:4:212745:223755,CC1CCN(CCCOc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2F)CC1,RQTBQWBNKVPVBO-UHFFFAOYSA-N
rxn:4:212745:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,WOWCJGBEKIDHEN-CCZUJOCFSA-N
rxn:4:212745:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,JYKYTFCVXCKHEW-UHFFFAOYSA-N
rxn:4:212748:225234,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(N4CCCCC4)c(F)c3F)c2)CCN1C(=O)OC(C)(C)C,HGTOGMOXCMZDJL-UHFFFAOYSA-N
rxn:4:212751:224352,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,FPQHTOUGEFHIHM-UHFFFAOYSA-N
rxn:4:212751:224705,CC1CCN(c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2F)CC1,NMNAJLNYCNTKNH-UHFFFAOYSA-N
rxn:4:212843:226839,CN1CCN(c2ccc(-c3cc(C(F)(F)F)ncc3C#N)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,OKZNFZXXSKUUED-GDLZYMKVSA-N
rxn:4:221757:224771,Cc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,VAQXNULOOAFJCP-UHFFFAOYSA-N
rxn:4:221995:224423,CCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)cc2)CC1,NEUNBBLHGJXIQX-UNWRIRMBSA-N
rxn:4:222190:223497,Cc1nc2nc(N(C)C3CN(c4cnccn4)C3)ccc2c(C)c1-c1ccc(C(C)N2CCC(O[Si](C)(C)C(C)(C)C)CC2)cc1,JXFSCLRVVAQALF-UHFFFAOYSA-N
rxn:4:222389:173496,COC(OC)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OCc1ccccc1,WVLREYUOVLGKAA-UHFFFAOYSA-N
rxn:4:222389:174496,COc1cccc(-c2cc(C(=O)OC(C)(C)C)cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)c1,DXYQAEVUEDZZOO-UHFFFAOYSA-N
rxn:4:223849:212748,CCCCCc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,PPZREEINOVAFLS-UHFFFAOYSA-N
rxn:4:224006:189912,COc1cc(CN2CCC(F)C2)ccc1-c1cc2cc(OC(F)(F)F)ccc2nc1OC,ZSNIXRFPHSYAIT-UHFFFAOYSA-N
rxn:4:173606:222740,CCC(=O)Oc1cc2c(C(=O)OC(C)C)c(C)oc2cc1-c1cc(C(C)C)nc(C2CCCNC2)c1,PAKZUYWMGGCOQR-UHFFFAOYSA-N
rxn:4:173607:222624,CCOC(=O)c1c(C)oc2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,DYDZWPORDOWTCF-UHFFFAOYSA-N
rxn:4:173641:222622,CCC(C)c1cc(-c2cc3oc(C)c(C(=O)OC(C)C)c3cc2OC(=O)C(C)C)cc(C2CCCNC2)n1,XFRSERSHJPGGSM-UHFFFAOYSA-N
rxn:4:177679:223200,Fc1cc(-c2ccc(C3CCNC3)cc2)ccc1-c1ccc(OC(F)(F)F)cc1,AMKFWSYFLXCXMT-UHFFFAOYSA-N
rxn:4:178073:223240,Cc1cc(-c2ccc(C3CCNC3)nc2)ccc1-c1ccc(OC(F)(F)F)cc1,PRDKGKXBYDDQAF-UHFFFAOYSA-N
rxn:4:178631:223000,Fc1cc(-c2ccc(OC(F)F)cc2Cl)ccc1C1CCCNC1,ADGIJJUWHPCEMP-UHFFFAOYSA-N
rxn:4:181992:225900,Cc1c(-c2cc([N+](=O)[O-])ccc2CN(C)C)ccc(-c2ccc(Cl)cc2)c1F,MKIAIWGZHCRFSJ-UHFFFAOYSA-N
rxn:4:192580:226340,N#Cc1cc(-c2cnc(OC3CCSC3)c(F)c2)c(Cl)c(C2CC2)c1,LZLMKZZCSWFAMJ-UHFFFAOYSA-N
rxn:4:192580:227020,Fc1cc(-c2cncc(C#CC3CC3)c2)cnc1OC1CCSC1,ZRYDTRBDFUQNRC-UHFFFAOYSA-N
rxn:4:194517:222404,O=C1NC(=O)C(c2ccc(-c3ccc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5o4)cc3)cc2)N1,IMKBXVNJFNBRGN-UHFFFAOYSA-N
rxn:4:203190:223014,COC(=O)c1cccc2[nH]c(-c3cnc(OCC4CC(F)(F)C4)nc3)cc12,WDPFWWQESVUEMU-UHFFFAOYSA-N
rxn:4:203190:226340,N#Cc1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c(Cl)c(C2CC2)c1,VRJIVAFOOQTRRP-UHFFFAOYSA-N
rxn:4:206042:228226,Cc1c(Cl)cc(C#N)cc1-c1ncc(C#C[Si](C)(C)C)cn1,BVZMKQAITDWYRE-UHFFFAOYSA-N
rxn:4:207613:224718,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(OCCN5CCOCC5)nc4)cc3)nc2c1,QOPUQODZDWTVFX-UHFFFAOYSA-N
rxn:4:212737:223743,Cc1ccc(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OCCCN1CCC(C)CC1,MVTQVXXCHXVGGT-UHFFFAOYSA-N
rxn:4:212745:223495,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c2)CCN1C(=O)OC(C)(C)C,DWUJPXDLBCSUHE-UHFFFAOYSA-N
rxn:4:212745:223879,CCCc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2F)cc1,CYWOTFAOTDIHSO-UHFFFAOYSA-N
rxn:4:212745:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,HLYVZRHOVCYFGP-IVCFNLRISA-N
rxn:4:212745:224860,CCCOc1ccc2cc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)ccc2c1,VDANIKHGRFDGCQ-UHFFFAOYSA-N
rxn:4:212748:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,QUDJJGIXBNJASC-UHFFFAOYSA-N
rxn:4:212748:223743,Cc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCC(C)CC1,XYWPJHSYKJTUET-UHFFFAOYSA-N
rxn:4:212748:223755,CC1CCN(CCCOc2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2F)CC1,GKVGQIVDMKMMKC-UHFFFAOYSA-N
rxn:4:212751:222889,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(F)cc(CN4CCNCC4)c3)c2)CCN1C(=O)OC(C)(C)C,NTWKMRVBFCIDNI-UHFFFAOYSA-N
rxn:4:212839:224562,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Oc5ccccc5)cc4OC)ccn23)CC1,BNTXBKLEPJINPN-UHFFFAOYSA-N
rxn:4:212839:224949,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC)c(CN5CCCC5)c4)ccn23)CC1,SFEOXDLFJIJECC-UHFFFAOYSA-N
rxn:4:217277:222803,N#Cc1c(-c2ccc(C3CCNC3)c(C(F)(F)F)c2)cnc2[nH]ccc12,UGMSVNWCOGJYFL-UHFFFAOYSA-N
rxn:4:221757:229134,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2F)cc1,JMKGTRQHJYRHPG-UHFFFAOYSA-N
rxn:4:221986:224877,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(COC4CCCCC4)cc3)cc2)CC1,DZUFPQVKPCPIRF-UHFFFAOYSA-N
rxn:4:222387:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc(N4CCOC(Cn5nnc6ncc(-c7cnn(C)c7)nc65)C4)nc3)c(F)cc2C)CC1,NHCCGZYGEFJYAD-UHFFFAOYSA-N
rxn:4:222389:174419,CC(C)Oc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1OCc1ccccc1,NVCCZXFEHRXPPP-UHFFFAOYSA-N
rxn:4:223861:212745,CCCCOc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,RLNNBERCHNGVGV-UHFFFAOYSA-N
rxn:4:181922:223200,C[Si](C)(C)c1c(F)c(F)c(-c2ccc(C3CCNC3)cc2)c(F)c1F,DFLLPQYNGSCZSG-UHFFFAOYSA-N
rxn:4:193183:224331,COc1cc(C)c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c(C)c1S(N)(=O)=O,HESORWFZEMVFRI-UHFFFAOYSA-N
rxn:4:194517:223169,FS(F)(F)(F)(F)c1ccc2oc(-c3ccc(-c4cnc(C5CCNCC5)nc4)cc3)nc2c1,KLASZBWQSIRCDA-UHFFFAOYSA-N
rxn:4:194517:223421,CNC(C)c1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4o3)cc2)s1,AWOSILLMJVWZIG-UHFFFAOYSA-N
rxn:4:194582:223000,Fc1cc(-c2ccc(-c3cc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)ccc1C1CCCNC1,ZDPCQKGJEVUCBJ-UHFFFAOYSA-N
rxn:4:195599:223000,Cc1cc(-c2ccc(C3CCCNC3)c(F)c2)c(Cl)cc1N=C=S,SBLUILYGOOLFOJ-UHFFFAOYSA-N
rxn:4:203190:225134,N#Cc1cccc(-c2ncc(-c3cnc(OCC4CC(F)(F)C4)nc3)cn2)c1,AXZDJFQAELJSHZ-UHFFFAOYSA-N
rxn:4:203190:225579,N#Cc1cc(-n2cccc2)ccc1-c1cnc(OCC2CC(F)(F)C2)nc1,VOBJFRISDLFZRU-UHFFFAOYSA-N
rxn:4:203190:228216,FC1(F)CC(COc2ncc(-c3cncc(C4CC4)c3Cl)cn2)C1,LEIZNECWUWGBBV-UHFFFAOYSA-N
rxn:4:205271:224001,N#Cc1ccc(S(N)(=O)=O)cc1-c1cnc(-c2ccc(C(F)(F)F)cc2)c(Cl)c1,MCQNZVUUHQLMQT-UHFFFAOYSA-N
rxn:4:212745:225089,CCCCCOc1ccc(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(F)c1F,KJVQYWSYKXQQAC-UHFFFAOYSA-N
rxn:4:212746:223754,CC1CCN(CCCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)cc2Cl)CC1,RLXBFSZMWSSLLG-UHFFFAOYSA-N
rxn:4:212747:223754,CC1CCN(CCCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)cc2Cl)CC1,BUOPEORZQRMFCH-UHFFFAOYSA-N
rxn:4:212747:223879,CCCc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)c(F)c2F)cc1,NXOUELKWIKKENL-UHFFFAOYSA-N
rxn:4:212748:223551,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,IDXVPEWTXQNXOS-UHFFFAOYSA-N
rxn:4:212751:222892,COc1cc(N2CCNCC2)ccc1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,PRCZSNGBHIMPSG-UHFFFAOYSA-N
rxn:4:212751:222901,CCCS(=O)(=O)NCc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,MFFQVKYVJXUFFC-UHFFFAOYSA-N
rxn:4:212751:223743,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCC(C)CC1,FUKNYLAXAGNYKA-UHFFFAOYSA-N
rxn:4:212839:224222,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(OCc5ccccc5)c(F)c4)ccn23)CC1,GARHFYNBGSVGPM-UHFFFAOYSA-N
rxn:4:212839:224560,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(SCc5cccc(F)c5)cc4)ccn23)CC1,RPDHJSMGNCTHGO-UHFFFAOYSA-N
rxn:4:212839:225007,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(CN5CCCCC5)c4F)ccn23)CC1,XIDDHJRWGDJECT-UHFFFAOYSA-N
rxn:4:212843:224778,CN1CCN(c2ccc(-c3c(F)cc(OC4CCOCC4)cc3F)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,IEAPLCVQOIMDFC-WJOKGBTCSA-N
rxn:4:221121:223514,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)cc2)cc1,QJFXZWXUBPOLMA-UHFFFAOYSA-N
rxn:4:221121:223728,CCCCCC1CCC(c2ccc(-c3ccc4c(ccn4CC(=O)N4CCN(CC(=O)N5CCN(C)CC5)CC4)c3)c(F)c2)CC1,INNGOQXRFFKCPS-UHFFFAOYSA-N
rxn:4:221757:224849,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCC3)cc(C3CC3)c2)cc1,GCUAGGDOQLAVEK-UHFFFAOYSA-N
rxn:4:221986:224780,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCOC4)c(C(F)(F)F)c3)cc2)CC1,JUWLTWCSAXPEJM-UHFFFAOYSA-N
rxn:4:222126:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(CN3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,CPZNCJVEXXFOJC-UHFFFAOYSA-N
rxn:4:224217:212748,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(OCc4ccccc4)c(F)c3F)c2)CCN1C(=O)OC(C)(C)C,JNNSIINOPCSRQD-UHFFFAOYSA-N
rxn:4:173641:222741,Cc1oc2cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,MOYVZCYTIGLBLP-UHFFFAOYSA-N
rxn:4:177679:223062,Fc1cc(-c2cnc(C3CCNCC3)cc2F)ccc1-c1ccc(OC(F)(F)F)cc1,BSBIPYZBFVTSKJ-UHFFFAOYSA-N
rxn:4:194579:222404,O=C1NC(=O)C(c2ccc(-c3ccc(-c4cc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)cc3)cc2)N1,OBQUPRVGCASGLR-UHFFFAOYSA-N
rxn:4:194579:223142,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(C5CCCNC5)nc4)cc3)[nH]c2c1,JTCAIGNXNXXYGT-UHFFFAOYSA-N
rxn:4:194579:223147,FS(F)(F)(F)(F)c1ccc2cc(-c3ccc(-c4ccc(C5CNCCO5)cc4)cc3)[nH]c2c1,IFXHSZKFRYWYAO-UHFFFAOYSA-N
rxn:4:202951:225182,COc1cc([N+](=O)[O-])cc(-c2ccnc(OC3CCCCC3)c2Cl)c1C#N,MTXRIPXYZVGUGP-UHFFFAOYSA-N
rxn:4:210106:226480,CCCCOc1ccc(-c2cc(F)c3ncc(C#N)c(Cl)c3c2)c(F)n1,PPELEDJBPQYKMF-UHFFFAOYSA-N
rxn:4:212740:224061,CCCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,COPJPTKDRORBAH-UHFFFAOYSA-N
rxn:4:212740:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,FBQGYJCBJFHLSG-UHFFFAOYSA-N
rxn:4:212745:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,LFRHFYCRBVECMZ-UHFFFAOYSA-N
rxn:4:212745:223724,CCCC(C)Oc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,LFTYLGOMQJQLJN-UHFFFAOYSA-N
rxn:4:212745:224170,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(OCCCN4CCCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,WUFJGMPGICEMFM-UHFFFAOYSA-N
rxn:4:212745:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,TUXVUXXCAARRNB-UHFFFAOYSA-N
rxn:4:212748:222701,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,WOZNFVYJJAEPAJ-UHFFFAOYSA-N
rxn:4:212748:222702,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,AXLSIMOJDBGGSP-UHFFFAOYSA-N
rxn:4:212748:222741,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,JQQMAYMBIORNIS-UHFFFAOYSA-N
rxn:4:212748:223511,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc4c(ccn4-c4ccc(-c5ccccc5)cc4)c3)c2)CCN1C(=O)OC(C)(C)C,QKJMDIYPORKJNY-UHFFFAOYSA-N
rxn:4:212748:223563,COc1cc(COc2c(C)cc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2C)cc(OC)c1,LSTVQRDSDYQYBY-UHFFFAOYSA-N
rxn:4:212748:224411,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(S(=O)(=O)N(C)C)cc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,WDKFYPNHXFEGPY-UHFFFAOYSA-N
rxn:4:212748:224793,CC(C)COc1ncc(C(F)(F)F)cc1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,UANRVAHWZOHERT-UHFFFAOYSA-N
rxn:4:212748:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)CC1,MQGJWPYATDTSTB-IVCFNLRISA-N
rxn:4:212748:224919,Cc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)cc1,KWAVDTMDZODBIC-UHFFFAOYSA-N
rxn:4:212751:223786,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(OCCCN4CCN(C)CC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,MKZJAQMGMMHWDS-UHFFFAOYSA-N
rxn:4:212751:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,WIZWMBGEMLFQKB-UHFFFAOYSA-N
rxn:4:212761:223557,COC(=O)Cn1c(=NC(=O)c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)s2)sc2cc(S(N)(=O)=O)ccc21,ZXHQIAJYAUSZHN-UHFFFAOYSA-N
rxn:4:212767:223570,COCCn1c(=NC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)s2)sc2cc(S(N)(=O)=O)ccc21,HSEGHZAXZIIDHR-UHFFFAOYSA-N
rxn:4:212839:225770,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(F)cc(OCC5CC5)cc4F)ccn23)CC1,FRNYRXLOOZIDEM-UHFFFAOYSA-N
rxn:4:212843:225387,CN1CCN(c2ccc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3F)c3c2C[C@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1,YWZGQQZWJVTXPZ-HHHXNRCGSA-N
rxn:4:214388:223743,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C)c(OCCCN5CCC(C)CC5)c4)c(OC)cc12)CC3,LXUCKTRWGWJBIJ-UHFFFAOYSA-N
rxn:4:221786:224015,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)c(=O)n2C)cc1C,GFLVIQXFDXLXEX-UHFFFAOYSA-N
rxn:4:222389:174494,COc1ccc(C(=O)Oc2cc(C(C)C)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2C)cc1,XCTLMXGCZQSXJG-UHFFFAOYSA-N
rxn:4:226057:212748,CCCCCCc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1,YEAWMLRSHRXWPV-UHFFFAOYSA-N
rxn:4:177679:223142,Fc1cc(-c2ccc(C3CCCNC3)nc2)ccc1-c1ccc(OC(F)(F)F)cc1,QEEAZDKVOKDNFS-UHFFFAOYSA-N
rxn:4:194582:223239,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cncc(C5CCCN5)c4)cc3)cc2c1,MYBDFJQQRNOSDZ-UHFFFAOYSA-N
rxn:4:195598:223002,Cc1c(N=C=S)ccc(-c2ccc(C3CCNCC3)cc2F)c1Cl,FPWZTGDUKIUTKF-UHFFFAOYSA-N
rxn:4:203190:226155,CC(=O)c1cc(-c2cnc(OCC3CC(F)(F)C3)nc2)cc(C2CC2)c1,MSACZJVSGJKPML-UHFFFAOYSA-N
rxn:4:203190:228209,Cc1cc(Cl)c(-c2cnc(OCC3CC(F)(F)C3)nc2)cc1C#N,BFYVFDSLHNQRKA-UHFFFAOYSA-N
rxn:4:205280:225201,N#Cc1cc(F)c(S(N)(=O)=O)cc1-c1ccc(OC2CCCC2)c(F)c1F,BIILBTXFGJFNDW-UHFFFAOYSA-N
rxn:4:207613:223240,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)nc4)cc3)nc2c1,ASRFRNLLQWHNGE-UHFFFAOYSA-N
rxn:4:212737:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,DDXILZGMRIIKDR-UNWRIRMBSA-N
rxn:4:212740:223597,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CC1,HEVPMIPIZXWMRQ-UHFFFAOYSA-N
rxn:4:212740:223754,CC1CCN(CCCOc2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,AWWKKARTNCYLKD-UHFFFAOYSA-N
rxn:4:212745:222462,CC1CN(c2cc(CN3CCOCC3)cc(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)c2)CCN1C(=O)OC(C)(C)C,IQMZENRRPXIBDC-UHFFFAOYSA-N
rxn:4:212745:222888,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(CN4CCNCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,SWCOBSLOQYQNRP-UHFFFAOYSA-N
rxn:4:212745:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,KDMIUYLIOGBPAI-CCZUJOCFSA-N
rxn:4:212745:224702,Cc1c(-c2cc(CN3CCOCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(F)c(OC2CCCC2)c1F,TXWNTRCVTQNNGU-UHFFFAOYSA-N
rxn:4:212748:223598,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CCN1C(=O)OC(C)(C)C,UADSSEIFBCOGBL-UHFFFAOYSA-N
rxn:4:212748:224351,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(C4CCCCO4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,GDWKALUGVNXFGO-UHFFFAOYSA-N
rxn:4:212751:222502,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(CNC(=O)c4cc(F)ccc4F)cc3)c2)CCN1C(=O)OC(C)(C)C,NQBQCEZOPGRSLS-UHFFFAOYSA-N
rxn:4:212751:222705,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,VOYPYDSCAKOWPS-UHFFFAOYSA-N
rxn:4:212751:222720,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(N4CCNCC4)cc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,JXJMGIXSPACOLW-UHFFFAOYSA-N
rxn:4:212751:222888,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(CN4CCNCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,CZQLFZIMPHSSJH-UHFFFAOYSA-N
rxn:4:212751:222997,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(Cl)cc3C3CCCNC3)c2)CCN1C(=O)OC(C)(C)C,KXFNHPLSNNUCKK-UHFFFAOYSA-N
rxn:4:212751:223661,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C(=O)OCc4ccccc4)cc([N+](=O)[O-])c3)c2)CCN1C(=O)OC(C)(C)C,WUQVPUMKCZSLPM-UHFFFAOYSA-N
rxn:4:212751:223841,Cc1cc(F)c(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1S(=O)(=O)N1CCN(C)CC1,VDMVJQDNPHNVDH-UHFFFAOYSA-N
rxn:4:212751:224782,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,CGRFESTZPDOZLD-UHFFFAOYSA-N
rxn:4:212751:225274,COCCOc1c(F)cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(C)c1F,IQMPYAIPOPWXRL-UHFFFAOYSA-N
rxn:4:212751:225656,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cncc(N4CCCCC4C)c3)c2)CCN1C(=O)OC(C)(C)C,MIAAYJIKSZKZAK-UHFFFAOYSA-N
rxn:4:212759:223570,COCCn1c(=NC(=O)c2ccc(C#N)cc2)sc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,UOCQVTWUWQHLPO-UHFFFAOYSA-N
rxn:4:212839:224511,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCc5ccccc5)cc4F)ccn23)CC1,YUTZRHKQIGDWFO-UHFFFAOYSA-N
rxn:4:222126:224352,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCCOC4)c(C(F)(F)F)c3)cc2)CC1,BARAZYWTKWFIBN-UHFFFAOYSA-N
rxn:4:225275:212748,COCCOc1c(F)c(C)cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1F,BWWZUOSSWQQZFA-UHFFFAOYSA-N
rxn:4:203190:226221,Cc1c(Cl)c(-c2cnc(OCC3CC(F)(F)C3)nc2)cc2cccnc12,XULPQCBXIUJQIA-UHFFFAOYSA-N
rxn:4:203190:226337,N#Cc1cc(C2CC2)cc(-c2cnc(OCC3CC(F)(F)C3)nc2)c1Cl,PVVOFHZCQCHMHM-UHFFFAOYSA-N
rxn:4:212737:223510,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c2)CC1,LNUWRWFVJRBRBJ-UHFFFAOYSA-N
rxn:4:212737:223598,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCOCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,JILMVWAGADBWFK-UHFFFAOYSA-N
rxn:4:212741:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCC2)c1,YJKBHNNOXLLINB-UHFFFAOYSA-N
rxn:4:212742:222758,Cc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCC3)c2)ccc1NC(=O)OC(C)(C)C,GNEOIBGHDAIHIZ-UHFFFAOYSA-N
rxn:4:212742:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCC2)c1,GJDHKPQUHSRUCY-UHFFFAOYSA-N
rxn:4:212744:223597,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)c2)CC1,BDFQJRQSNGZZFM-UHFFFAOYSA-N
rxn:4:212744:223995,CN1CCN(c2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc(C(F)(F)F)c2)CC1,KXMXXHKIWPDNFX-UHFFFAOYSA-N
rxn:4:212746:223497,CC(c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCOCC3)c2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,MBAHXSKSXGQJFG-UHFFFAOYSA-N
rxn:4:212747:223497,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(C)N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)cc1N1CCOCC1,ILOOBTMXTJQSKN-UHFFFAOYSA-N
rxn:4:212747:223570,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1N1CCOCC1,QFNQBWQCFFRWII-UHFFFAOYSA-N
rxn:4:212748:222706,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,GWAVZILHCXNXEZ-UHFFFAOYSA-N
rxn:4:212750:224238,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(F)c(OCc3ccccc3)c2F)cc1N1CCCCC1,OINVLHUJEARWDZ-UHFFFAOYSA-N
rxn:4:212751:222621,CC(C)Cc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,RYJVYCBKTBMIGR-UHFFFAOYSA-N
rxn:4:212751:222622,CCC(C)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,LQPWQABTTLSJHG-UHFFFAOYSA-N
rxn:4:212751:222848,CCc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,BAVZOQAGAXEDQN-UHFFFAOYSA-N
rxn:4:212767:224283,COCCn1c(=NC(=O)c2ccc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)s2)sc2cc(S(N)(=O)=O)ccc21,CWVQCYXBYDCFNP-UHFFFAOYSA-N
rxn:4:212767:224662,COCCn1c(=NC(=O)c2ccc(-c3cc(F)ccc3CN3CCN(C)CC3)s2)sc2cc(S(N)(=O)=O)ccc21,OPGKELKXYYELNY-UHFFFAOYSA-N
rxn:4:212832:224192,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cc(F)ccc3CN3CCN(CC)CC3)cc1)SCC2,BSAYRRGAOYUOFP-UHFFFAOYSA-N
rxn:4:212832:224193,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(F)c(CN4CCN(CC)CC4)c3)cc1)SCC2,GZVRKARTIOXURA-UHFFFAOYSA-N
rxn:4:213480:222741,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,KTBMKLWXECHRBS-MNTGJPJFSA-N
rxn:4:222110:223538,CC#CCn1c(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,BGCREGMPRRFDCY-UHFFFAOYSA-N
rxn:4:222126:223497,CC(c1ccc(-c2ccc(Cn3c(CN4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,MLMNJJSMCILAHZ-UHFFFAOYSA-N
rxn:4:222126:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)ncc21,QTZVCPZCUDLKGB-UHFFFAOYSA-N
rxn:4:222130:223542,CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)ccc3OC)nnc12,IEFGJLJURMMRQU-UHFFFAOYSA-N
rxn:4:222130:223600,CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ncc(Cl)cc45)ccc3OC)nnc12,ANIUNSSFXHYKKG-UHFFFAOYSA-N
rxn:4:222132:223603,COc1ccc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,CCMRGHORFVYAQE-UHFFFAOYSA-N
rxn:4:222135:223537,COc1ccc(-c2cc3cc(OC(F)(F)F)ccc3n2C(=O)OC(C)(C)C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,OYLZLAQDQIHFFZ-UHFFFAOYSA-N
rxn:4:222138:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)c(F)ncc21,KTPDNMZAEGFKFF-UHFFFAOYSA-N
rxn:4:222143:223541,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,FZFTVNFLRAYJQU-UHFFFAOYSA-N
rxn:4:222143:223564,COc1cc(OC)cc(OCc2c(C)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCCCC5)c(=O)n4C)cc3)cc2C)c1,RZWCGTOATSQFBL-UHFFFAOYSA-N
rxn:4:222144:223588,Cc1cc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,UUMSCNRSFDEEJL-UHFFFAOYSA-N
rxn:4:222202:228827,Cc1cc(F)c(F)cc1-c1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1,MHEBTZWDCNGUQP-UHFFFAOYSA-N
rxn:4:173563:222389,COC(=O)c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c(-c2ccc(F)cc2F)cc1OCc1ccccc1,WOULHUFNACKVIO-UHFFFAOYSA-N
rxn:4:173608:222389,COc1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c(=O)oc12,NTTPAYZSXMKGMK-UHFFFAOYSA-N
rxn:4:173641:222389,Cc1oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,DZLHWPZTTCGGSC-UHFFFAOYSA-N
rxn:4:173675:222630,Cc1oc2cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,RWCJUXXFHKGNEL-UHFFFAOYSA-N
rxn:4:173675:222740,Cc1oc2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,IATVGUKMSKMCTH-UHFFFAOYSA-N
rxn:4:194167:225201,COC(=O)c1c(F)cc(-c2ccc(OC3CCCC3)c(F)c2F)c2[nH]ccc12,SSOQTLJOGJSKMV-UHFFFAOYSA-N
rxn:4:206043:228226,Cc1c(Cl)cc(C#N)cc1-c1cnc(C#C[Si](C)(C)C)cn1,SBFNPKAGMNTVHW-UHFFFAOYSA-N
rxn:4:212734:224670,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3cc(CN4CCN(C)CC4)ccc3F)c2)SC1=S,WMCSPNCUJNYKJB-UHFFFAOYSA-N
rxn:4:212738:223553,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4)cc3)cc2N2CCOCC2)CC1,MUDQZINOFJHLOR-UHFFFAOYSA-N
rxn:4:212741:224667,CC1CN(Cc2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,TUYKRDKOJWNJFD-UHFFFAOYSA-N
rxn:4:212741:224741,COc1cc(C2OCCO2)cc(OC)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)c(N2CCCC2)c1,YGPMRVCZHZVDBP-UHFFFAOYSA-N
rxn:4:212744:223495,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4ccccc34)c2)CC1,HMTQBXMGAGPEFJ-UHFFFAOYSA-N
rxn:4:212744:223510,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c2)CC1,JMAJIUJHOOAQDU-UHFFFAOYSA-N
rxn:4:212745:222705,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCNCC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,QCEBKRGJEMQEFD-UHFFFAOYSA-N
rxn:4:212745:223723,CCC(CC)Oc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,KDUDZYZOBPZNBO-UHFFFAOYSA-N
rxn:4:212745:224242,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(OCc4ccc(Cl)cc4)cc3F)c2)CCN1C(=O)OC(C)(C)C,OMZFYCCWQUTDHD-UHFFFAOYSA-N
rxn:4:212748:222524,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)c2)CCN1C(=O)OC(C)(C)C,QFWFTGKZAQDLDD-UHFFFAOYSA-N
rxn:4:212748:222719,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,VWTBMECUSDBSLA-UHFFFAOYSA-N
rxn:4:212748:222721,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C4CCNCC4)nc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,TVPQUPBWZHHFGI-UHFFFAOYSA-N
rxn:4:212748:224227,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(F)c(OCc4ccccc4)cc3F)c2)CCN1C(=O)OC(C)(C)C,RMZAIPJCHSSVLC-UHFFFAOYSA-N
rxn:4:212751:222742,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c2)CCN1C(=O)OC(C)(C)C,UNCRSYIKVTXAHY-UHFFFAOYSA-N
rxn:4:212751:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,DBEVZJXHYSQIHR-UHFFFAOYSA-N
rxn:4:212751:224860,CCCOc1ccc2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)ccc2c1,RNAMSCWUYHPTQX-UHFFFAOYSA-N
rxn:4:212761:222623,CCC(C)c1cc(-c2ccc(C(=O)N=c3sc4cc(S(N)(=O)=O)ccc4n3CC(=O)OC)s2)cc(C2CCNCC2)n1,GFLVLFRGTPLZOX-UHFFFAOYSA-N
rxn:4:212839:222621,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(CC(C)C)nc(C5CCCNC5)c4)ccn23)CC1,BXIGZZZCKDOKNO-UHFFFAOYSA-N
rxn:4:212846:222741,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,CXRZDAGQYGQGKH-UHFFFAOYSA-N
rxn:4:213425:222741,O=C(CCn1ccc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc21)N1CCC(c2noc3cc(F)ccc23)CC1,CWXYNBRNHLFPDG-UHFFFAOYSA-N
rxn:4:213481:222741,COC12CC(COC(=O)c3cncc(-c4cc(C5CC5)nc(C5CCCNC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,QBMZMJSGAOHKOZ-UHFFFAOYSA-N
rxn:4:221786:223699,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cc3)c(=O)n2C)cc1C,KGRVWYDMTSQRML-UHFFFAOYSA-N
rxn:4:222110:223570,CC#CCn1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,HXLJONGJDIUALZ-UHFFFAOYSA-N
rxn:4:222126:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(CN3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1,LBHAFCGPLJBACC-UHFFFAOYSA-N
rxn:4:222130:223570,CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc3OC)nnc12,ALHIZHSXCSFUDZ-UHFFFAOYSA-N
rxn:4:222135:223599,COc1ccc(-c2cc3cc(C(F)(F)F)ccc3n2C(=O)OC(C)(C)C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,IQOBKVPTFSGBQG-UHFFFAOYSA-N
rxn:4:222138:223541,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,XBTFWJHKQBEPRF-UHFFFAOYSA-N
rxn:4:222142:223527,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,QLRZAEQAJWKQMZ-UHFFFAOYSA-N
rxn:4:222142:223604,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1,KOHXEOXQOIPJLQ-UHFFFAOYSA-N
rxn:4:222387:223676,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6cc(OCc7ccccc7)cc(C(F)(F)F)c6F)cn5)CCO4)c3n2)cn1,LQTINXAAZPFGST-UHFFFAOYSA-N
rxn:4:173600:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)CC)cc12,WNONKGVJMCZFEE-UHFFFAOYSA-N
rxn:4:173600:222622,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)CC)nc(C4CCCNC4)c3)c(OC(=O)CC)cc12,BEQHONHEBIPDQN-UHFFFAOYSA-N
rxn:4:173639:222389,O=C(COc1ccc(Cl)cc1)Oc1cc(-c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c2oc(=O)sc2c1,NFIYFRNWSZPGQR-UHFFFAOYSA-N
rxn:4:174386:222389,COc1cc(OCc2ccccc2)c(C(C)=O)cc1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,OBRSCDAARCJVCR-UHFFFAOYSA-N
rxn:4:174524:222389,COc1cc(C=Cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2C)c(C(F)(F)F)cc1C1OCCO1,QIYIPBXEEJHAAN-UHFFFAOYSA-N
rxn:4:174607:222389,COC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccccc3C)cc12,XCDCDWPIOOIHFL-UHFFFAOYSA-N
rxn:4:205271:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc(S(N)(=O)=O)ccc1C#N,ITPLKYNANNZGCU-UHFFFAOYSA-N
rxn:4:212734:223589,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3C)c2)SC1=S,ZCTKZHPUQIVSLN-UHFFFAOYSA-N
rxn:4:212734:224669,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3ccc(CN4CCN(C)CC4)cc3F)c2)SC1=S,UJKVHUMINFDPQC-UHFFFAOYSA-N
rxn:4:212742:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCC2)c1,JHOUOBVHSZSKID-UHFFFAOYSA-N
rxn:4:212744:223996,CN1CCN(c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(C(F)(F)F)c2)CC1,OYVUDLXQSSCASK-UHFFFAOYSA-N
rxn:4:212744:224667,CN1CCN(Cc2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)ccc2Cl)CC1,GDGOSXDUHXWEOG-UHFFFAOYSA-N
rxn:4:212745:222701,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,QHXXINADUMGLIZ-UHFFFAOYSA-N
rxn:4:212745:222719,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,YSLOVXQJGBGTNE-UHFFFAOYSA-N
rxn:4:212745:224782,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,NHIASEFTSUQIPY-UHFFFAOYSA-N
rxn:4:212748:223503,CC1CN(c2cc(CN3CCCCC3)cc(-c3c(F)cc(OC4CCN(C(=O)OC(C)(C)C)CC4)cc3F)c2)CCN1C(=O)OC(C)(C)C,KHTYJORHIMQNCC-UHFFFAOYSA-N
rxn:4:212748:223995,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(N4CCN(C)CC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,QYELOYODFGLFAT-UHFFFAOYSA-N
rxn:4:212750:222702,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1N1CCCCC1,FOWRFZZOVFTLBM-UHFFFAOYSA-N
rxn:4:212751:222741,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CC4)nc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,YXIRNKNLEQVTFT-UHFFFAOYSA-N
rxn:4:212751:222890,COc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,ZYTREHKIOGBCBC-UHFFFAOYSA-N
rxn:4:212767:224698,COCCn1c(=NC(=O)c2ccc(-c3cnc(Cl)c(-c4ccccc4OC)c3)s2)sc2cc(S(N)(=O)=O)ccc21,GRJJEJWHPZCKDP-UHFFFAOYSA-N
rxn:4:212790:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc4c(c3)sc(=NC(=O)c3cc5cc([N+](=O)[O-])ccc5s3)n4CCOC)c2)CC1,UIXPGKIZXMSMCJ-UHFFFAOYSA-N
rxn:4:212790:224198,CCN1CCN(Cc2ccc(-c3ccc4c(c3)sc(=NC(=O)c3cc5cc([N+](=O)[O-])ccc5s3)n4CCOC)c(F)c2)CC1,HRGGURHHVUOYEZ-UHFFFAOYSA-N
rxn:4:212808:223527,CCCCN1C(=O)C(=Cc2c(Oc3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc3ccccn3c2=O)SC1=S,LZZOEIKBKLWDEA-UHFFFAOYSA-N
rxn:4:212839:222741,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CC5)nc(C5CCCNC5)c4)ccn23)CC1,UHVBXIUGTUGMIT-UHFFFAOYSA-N
rxn:4:212843:222647,Cc1cc(-c2ccc(N3CCN(C)CC3)c3c2CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)c(C)cc1NC(=O)OC(C)(C)C,NHOLRJZEPAXWPN-UUWRZZSWSA-N
rxn:4:213445:222741,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CC7)nc(C7CCCNC7)c6)c(OC)ccc5c4)nc23)cc1OC,PWALJIQBPYWEGE-UHFFFAOYSA-N
rxn:4:221786:222776,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(CN5CCC(O)CC5)cc4F)cc3)c(=O)n2C)cc1C,YMPFEOCXRHWSHN-UHFFFAOYSA-N
rxn:4:222126:223597,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)CC1,RGFLEFXFVYVACX-UHFFFAOYSA-N
rxn:4:222142:223530,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,AANFWRYZECBHDV-UHFFFAOYSA-N
rxn:4:222142:223570,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,HKTALZKQMIGJKB-UHFFFAOYSA-N
rxn:4:222144:223527,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,XTBJZKFVFQGNMZ-UHFFFAOYSA-N
rxn:4:222144:223541,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,VZHQAGAXUKMTOB-UHFFFAOYSA-N
rxn:4:173607:222466,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc12,PVUJOPNZGNANMY-UHFFFAOYSA-N
rxn:4:173607:222740,CCOC(=O)c1c(C)oc2cc(-c3cc(C(C)C)nc(C4CCCNC4)c3)c(OC(=O)C(C)C)cc12,IAZMGTMUKMTGJZ-UHFFFAOYSA-N
rxn:4:173641:222538,Cc1oc2cc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c(OC(=O)C(C)C)cc2c1C(=O)OC(C)C,JFLHXYQPYHBBND-UHFFFAOYSA-N
rxn:4:173675:222628,Cc1oc2cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c(OC(=O)C(C)(C)C)cc2c1C(=O)OC(C)C,FGKZBRHBUHPNDR-UHFFFAOYSA-N
rxn:4:194579:225900,CN(C)Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2cc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1,OUGWKXGZCGSRFC-UHFFFAOYSA-N
rxn:4:194582:223280,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4cnc(C5CCNC5)nc4)cc3)cc2c1,ZLWRFXYAPFTBMY-UHFFFAOYSA-N
rxn:4:201187:223688,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)ccc5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,BDURYNSFUAMRMD-UHFFFAOYSA-N
rxn:4:206032:226340,N#Cc1cc(-c2ccc(OC3CCCC3)nn2)c(Cl)c(C2CC2)c1,PLPNQGIHZYHJBM-UHFFFAOYSA-N
rxn:4:206043:228224,Cc1cc(C#N)cc(-c2cnc(C#C[Si](C)(C)C)cn2)c1Cl,XIBVCGHXKBVAKC-UHFFFAOYSA-N
rxn:4:212737:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,DDXILZGMRIIKDR-UHFFFAOYSA-N
rxn:4:212741:222776,CC1CN(Cc2ccc(-c3ccc(CN4CCC(O)CC4)cc3F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,ICUGZXAQZVBGSG-UHFFFAOYSA-N
rxn:4:212741:223587,COc1cc(COc2ccc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCCC4)c3)c2F)cc(OC)c1,SDZABFOHIWMYJG-UHFFFAOYSA-N
rxn:4:212742:222780,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(F)cc(C(=O)NCCN(C)C)c2)cc1N1CCCC1,IQOXNGLCAODDDM-UHFFFAOYSA-N
rxn:4:212742:224666,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(F)c(CN3CCN(C)CC3)c2)cc1N1CCCC1,YKZPDSPFYBNCRJ-UHFFFAOYSA-N
rxn:4:212744:222700,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)CC1,YVFGDADOJAGXHW-UHFFFAOYSA-N
rxn:4:212744:222740,CC(C)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(C2CCCNC2)n1,YIDUTSPQAYENTD-UHFFFAOYSA-N
rxn:4:212745:222699,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,MMYSZEYDOGJNOP-UHFFFAOYSA-N
rxn:4:212745:222742,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)c2)CCN1C(=O)OC(C)(C)C,KMWOPKACMKCMEW-UHFFFAOYSA-N
rxn:4:212746:223587,COc1cc(COc2ccc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)c2F)cc(OC)c1,SXTKCOVWIWVOJO-UHFFFAOYSA-N
rxn:4:212746:223592,CC1CN(Cc2ccc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3Cl)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,MNPIGDODRQDYJC-UHFFFAOYSA-N
rxn:4:212748:222888,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(CN4CCNCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,JYFFXUOMRWFAHQ-UHFFFAOYSA-N
rxn:4:212748:223824,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(C(F)(F)F)cnc3OCc3ccccc3)c2)CCN1C(=O)OC(C)(C)C,QRXRVFMNNRUKFX-UHFFFAOYSA-N
rxn:4:212748:224232,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(Cl)c(OCc4ccccc4)cc3F)c2)CCN1C(=O)OC(C)(C)C,DICJIABHOZHOIL-UHFFFAOYSA-N
rxn:4:212748:224306,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(C(F)(F)F)cc3OC3CCCC3)c2)CCN1C(=O)OC(C)(C)C,ZYTBZSYCZVBUBM-UHFFFAOYSA-N
rxn:4:212751:222847,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C#N)cc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,LOBIJUDOKNLRQW-UHFFFAOYSA-N
rxn:4:212751:222998,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(F)cc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,FARKGTIACUBASZ-UHFFFAOYSA-N
rxn:4:212751:224577,Cc1cn(-c2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc(C3CC3)c2)cn1,XDDUECTUSNNPAA-UHFFFAOYSA-N
rxn:4:212751:224580,Cc1nccn1-c1ccc(C2CC2)c(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,BKCBVRIRSJYJEZ-UHFFFAOYSA-N
rxn:4:212751:224603,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cccc4c3cnn4C3CCCCO3)c2)CCN1C(=O)OC(C)(C)C,OBYXFDBTOICBBW-UHFFFAOYSA-N
rxn:4:213450:222741,Cc1nc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,QUUMOXKLGYOKOR-UHFFFAOYSA-N
rxn:4:213475:222741,COc1cc(-c2cc(C3CC3)nc(C3CCCNC3)c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,FJZWFECRUSMHNT-IITVOJQDSA-N
rxn:4:219197:223597,COc1ccccc1C1=NN(c2nc(-c3ccccc3)c3cc(C)ccc3n2)C(c2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)C1,LJUPIUQLLMKTOQ-UHFFFAOYSA-N
rxn:4:221563:223570,CC(C)CCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)n(C)c1=O,JGMZUSBLIKTINU-UHFFFAOYSA-N
rxn:4:222126:222803,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C4CCNC4)c(C(F)(F)F)c3)cc2)CC1,LIYYCPKDXFFQLG-UHFFFAOYSA-N
rxn:4:222126:223491,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cc2)CC1,JDDHRSKVKYAEGR-UHFFFAOYSA-N
rxn:4:222126:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,GGTOZFSRDVTLQH-FBSWEULCSA-N
rxn:4:222134:223570,COc1ccc(-c2nnc3n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,NSSFSKHMRPDJFR-UHFFFAOYSA-N
rxn:4:222143:223527,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,BXMYZAUGXPULTG-UHFFFAOYSA-N
rxn:4:222363:223597,Cc1cc(CN2CCN(c3c(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WYPYLZXIFFLRIZ-UHFFFAOYSA-N
rxn:4:173604:222389,CCOC(=O)c1c(C)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(=O)c3ccco3)cc12,SXEJVUIUDQPJQV-UHFFFAOYSA-N
rxn:4:201187:223834,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(C)c(S(=O)(=O)N6CCN(C)CC6)c(C)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,JYJVAMRAZWTJME-UHFFFAOYSA-N
rxn:4:212734:223523,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)c4ccccc34)c2)SC1=S,TZKAYRXBGLFAAL-UHFFFAOYSA-N
rxn:4:212742:222586,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)cc1N1CCCC1,DJEKSNXUFQWHAA-UHFFFAOYSA-N
rxn:4:212742:224667,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(Cl)c(CN3CCN(C)CC3)c2)cc1N1CCCC1,ALXZWDDGOZRYNG-UHFFFAOYSA-N
rxn:4:212744:224668,CCN1CCN(c2cc(F)cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1,IKCFHLKHYKTLKP-UHFFFAOYSA-N
rxn:4:212744:224669,CN1CCN(Cc2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(F)c2)CC1,VDFMYIXSOCPFRA-UHFFFAOYSA-N
rxn:4:212746:222701,CC1CN(Cc2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,WTXFFTOPNJMRSV-UHFFFAOYSA-N
rxn:4:212746:222702,CC1CN(Cc2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2N2CCOCC2)CCN1C(=O)OC(C)(C)C,LWNSCBNPMGJREC-UHFFFAOYSA-N
rxn:4:212746:223723,CCC(CC)Oc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)cc2)cc1,XHUWBESPZUXIPG-UHFFFAOYSA-N
rxn:4:212746:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCOCC4)c3)c(F)c2)CC1,VDPSQFJRKFRCEP-UHFFFAOYSA-N
rxn:4:212748:224219,CC1CN(c2cc(CN3CCCCC3)cc(-c3c(F)ccc(OCc4ccccc4)c3Cl)c2)CCN1C(=O)OC(C)(C)C,XMDCWGHGBCFJNM-UHFFFAOYSA-N
rxn:4:212748:224860,CCCOc1ccc2cc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)ccc2c1,GPTVQBBYINQNRB-UHFFFAOYSA-N
rxn:4:212748:225212,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(F)cc(N4CCN(C)CC4)c3)c2)CCN1C(=O)OC(C)(C)C,XGKJNYIPNIUPBA-UHFFFAOYSA-N
rxn:4:212748:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,PNIKCTKQVGVBIQ-UHFFFAOYSA-N
rxn:4:212751:222706,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,NEBKTBKFNCIVQG-UHFFFAOYSA-N
rxn:4:212751:223747,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2)CCN1C(=O)OC(C)(C)C,HOERNDGNRMDZSR-UHFFFAOYSA-N
rxn:4:212751:225345,COc1ccc(S(=O)(=O)N(C)C)cc1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,ZWROOMCCEUOXBG-UHFFFAOYSA-N
rxn:4:212761:223527,COC(=O)Cn1c(=NC(=O)c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)s2)sc2cc(S(N)(=O)=O)ccc21,NPPCXSPAADBAHB-UHFFFAOYSA-N
rxn:4:212767:223532,COCCn1c(=NC(=O)c2ccc(-c3cc(F)cc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)s2)sc2cc(S(N)(=O)=O)ccc21,DTROPRICIUUTNY-UHFFFAOYSA-N
rxn:4:212839:222537,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)ccn23)CC1,UFNJBWULIGEJIM-UHFFFAOYSA-N
rxn:4:212839:222628,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCC5)nc(C5CCCNC5)c4)ccn23)CC1,JNKGSVKGEMJXNJ-UHFFFAOYSA-N
rxn:4:212846:224193,CCN1CCN(Cc2cc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)ccc2F)CC1,OBSOMHYZEIOYMX-UHFFFAOYSA-N
rxn:4:213445:222537,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCCC7)nc(C7CCCNC7)c6)c(OC)ccc5c4)nc23)cc1OC,USJLXISFDUMGAN-UHFFFAOYSA-N
rxn:4:218700:223570,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,HUXFRFAOVALNAY-UHFFFAOYSA-N
rxn:4:219622:223570,CC(=O)Cn1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C,NSCJQBAZHCBXLS-UHFFFAOYSA-N
rxn:4:220453:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc4[nH]c(-c5ccc([N+](=O)[O-])cc5)nc4c3)c(F)ncc21,UXBZBGYTASDGSA-UHFFFAOYSA-N
rxn:4:221786:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(C)c3)n(C)c2=O)cc1,LFDRBUHBTNCWGL-UHFFFAOYSA-N
rxn:4:222126:222531,Cc1ccc(NC(=O)c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)c(C)c1,SNPBUCXFZOKJJQ-UHFFFAOYSA-N
rxn:4:222126:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)cc2C)CC1,XACSWXMHZFDPJV-UHFFFAOYSA-N
rxn:4:222126:223816,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4c(Cl)ccnc4n3COCC[Si](C)(C)C)cc2)CC1,YVYSUNXEAJTJPR-UHFFFAOYSA-N
rxn:4:222134:223534,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,YFWOFYVLIIPLMA-UHFFFAOYSA-N
rxn:4:222143:223591,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2F)cc1,HUWSMXJHAMJTAD-UHFFFAOYSA-N
rxn:4:222195:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)c(F)ncc21,SKCWDCGNVVWAIW-UHFFFAOYSA-N
rxn:4:222198:223570,COc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1-c1nnc2n(C(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,LBWIANDFGGNJSD-UHFFFAOYSA-N
rxn:4:224705:212745,CC1CCN(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2F)CC1,LFBULRNWYIKXLQ-UHFFFAOYSA-N
rxn:4:201187:223689,CCCOc1cccc(C2c3c(oc4ccc(-c5ccc(OC)c(S(=O)(=O)N6CCN(CC)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,LTZUWZHSBGONOO-UHFFFAOYSA-N
rxn:4:212740:222700,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)CC1,VYVLJPOOONRGGL-UHFFFAOYSA-N
rxn:4:212740:223598,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,STUQGWOMYPUGPT-UHFFFAOYSA-N
rxn:4:212745:222704,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(C4CCNCC4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,SLPKSPASLSLBFL-UHFFFAOYSA-N
rxn:4:212745:224464,CCc1ccc(-c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)cc1,AUQAZLKIULRKBG-UHFFFAOYSA-N
rxn:4:212748:223570,CC1CN(c2cc(CN3CCCCC3)cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c2)CCN1C(=O)OC(C)(C)C,TZZKGHSQXNJOEF-UHFFFAOYSA-N
rxn:4:212748:223691,CC1CN(c2cc(CN3CCCCC3)cc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)c2)CCN1C(=O)OC(C)(C)C,YXERPJKULDWVQY-UHFFFAOYSA-N
rxn:4:212749:222661,CC1CN(Cc2ccc(-c3cc(C(=O)Nc4ccccc4)ccc3F)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,KQMUDVIJXRNPIX-UHFFFAOYSA-N
rxn:4:212750:222655,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)NC3CCCCC3)c(Cl)c2)cc1N1CCCCC1,XVCQOUGALCEJTE-UHFFFAOYSA-N
rxn:4:212750:222824,Cc1cc(F)c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)cc1S(=O)(=O)NC(C)C,URZDKJXTZHEUIF-UHFFFAOYSA-N
rxn:4:212751:222580,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)c2)CCN1C(=O)OC(C)(C)C,XUGGSJCEGZFKFU-UHFFFAOYSA-N
rxn:4:212751:222702,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)c2)CCN1C(=O)OC(C)(C)C,XZKVXUZKJANVQN-UHFFFAOYSA-N
rxn:4:212751:222850,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCNCC4)ccc3C#N)c2)CCN1C(=O)OC(C)(C)C,DDRLSNIGIUPHOS-UHFFFAOYSA-N
rxn:4:212754:223557,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,WGGBASWPCKSJPK-UHFFFAOYSA-N
rxn:4:212756:224283,COCCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)ccc21,OSSABBUBAUBAFD-UHFFFAOYSA-N
rxn:4:212820:222621,COCCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(-c3cc(CC(C)C)nc(C4CCCNC4)c3)ccc21,KQWFMJBBKTUEOO-UHFFFAOYSA-N
rxn:4:212832:224196,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cc(F)cc(CN4CCN(CC)CC4)c3)cc1)SCC2,CRYILLFEWBNOKY-UHFFFAOYSA-N
rxn:4:212839:222729,CCCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc(C2CCCNC2)n1,XNKZETORKXXDCV-UHFFFAOYSA-N
rxn:4:212839:222730,CCCc1cc(-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)cc(C2CCNCC2)n1,GLEZDJUIHBWXLX-UHFFFAOYSA-N
rxn:4:212839:223542,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)ccn23)CC1,SEHWQNPGHDNYJG-UHFFFAOYSA-N
rxn:4:212846:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)c2)CC1,HFDPYERKHSLDJE-UHFFFAOYSA-N
rxn:4:213445:222630,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCC7)nc(C7CCNCC7)c6)c(OC)ccc5c4)nc23)cc1OC,HDMUXQAEACDKQZ-UHFFFAOYSA-N
rxn:4:213445:222848,CCc1cc(-c2c(OC)ccc3cc(-c4nc5c(-c6ccc(OC)c(OC)c6)cnn5cc4C)ccc23)cc(C2CCCNC2)n1,GNWVMPKLOIJLEK-UHFFFAOYSA-N
rxn:4:213445:222890,COc1cc(-c2c(OC)ccc3cc(-c4nc5c(-c6ccc(OC)c(OC)c6)cnn5cc4C)ccc23)cc(C2CCCNC2)n1,YXUXZSABTBDMLK-UHFFFAOYSA-N
rxn:4:219155:223570,Cc1cnc(OCC23CCCC2CN(C(=O)c2cncc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)c2)C3)nc1,GLPSCGVTVBECFI-UHFFFAOYSA-N
rxn:4:219740:223570,Cc1ccccc1-n1c(=O)c2sccc2n(Cc2nc(-c3cccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)c3)no2)c1=O,JWCQLBIDUDPCSP-UHFFFAOYSA-N
rxn:4:221970:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc(-c4noc(CSc5nc6[nH]ncc6c(=O)n5-c5ccccc5)n4)ccc3F)c(F)ncc21,KENWPHGMVHGITD-UHFFFAOYSA-N
rxn:4:221987:223570,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc3OC)nnc12,QYMKSCVZPYVQEE-UHFFFAOYSA-N
rxn:4:221990:223570,COc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,HVFAAIMDZBABSD-UHFFFAOYSA-N
rxn:4:222126:223605,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)cc2)CC1,HRUBIYIEGCMEJV-UHFFFAOYSA-N
rxn:4:222132:223534,COc1ccc(-c2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)ncc2F)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,OOBIQODRCFKUFU-UHFFFAOYSA-N
rxn:4:222132:223598,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,VZPHPILYKDNIAN-UHFFFAOYSA-N
rxn:4:222138:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)cnc21,LQCYBVUCYLQJCP-UHFFFAOYSA-N
rxn:4:222144:223530,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,SPBCYUFLWCMHKY-UHFFFAOYSA-N
rxn:4:222363:223497,Cc1cc(CN2CCN(c3c(-c4ccc(C(C)N5CCC(O[Si](C)(C)C(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GBABWMDOUKQDDB-UHFFFAOYSA-N
rxn:4:173583:222423,COc1cc(S(=O)(=O)Oc2ccc(C(C)C)c(C)c2)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,VHMVIMCQIFOTOH-UHFFFAOYSA-N
rxn:4:185611:226029,CCOc1c(F)c(F)c(-c2ccc(-c3c(C)oc4cc(OCCN5CCOCC5)ccc4c3=O)cc2)c(F)c1F,SHRUYRCPYGGXTK-UHFFFAOYSA-N
rxn:4:212740:224281,COc1cc(OC)c2cc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)c(OC)nc2c1,FQIXGTGLHVZQFL-UHFFFAOYSA-N
rxn:4:212742:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCC2)c1,UCBVLRBRQKXMGB-UHFFFAOYSA-N
rxn:4:212744:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,JUHSGYXXXDFAKA-UHFFFAOYSA-N
rxn:4:212745:222700,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)CCN1C(=O)OC(C)(C)C,DTBJTHFSDCPXJT-UHFFFAOYSA-N
rxn:4:212748:222423,COc1c(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LKMKSUDJXSFUPX-UHFFFAOYSA-N
rxn:4:212748:222848,CCc1cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCCNC2)n1,IRBJZBGICBVSFH-UHFFFAOYSA-N
rxn:4:212749:222597,CC1CN(Cc2ccc(-c3ccc(F)c(C(=O)Nc4ccccc4Cl)c3)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,IURMTJZEAPVESC-UHFFFAOYSA-N
rxn:4:212750:222662,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)Nc3ccccc3)c(F)c2)cc1N1CCCCC1,KEYAWCZEJLWYNP-UHFFFAOYSA-N
rxn:4:212751:222542,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCNCC1,RHGKSMTWQUSMLA-UHFFFAOYSA-N
rxn:4:212751:223691,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)c2)CCN1C(=O)OC(C)(C)C,RNUXDBMAMPZXQT-UHFFFAOYSA-N
rxn:4:212751:224286,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(OCCN4CCOCC4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,XCZQDWGVWKWJCE-UHFFFAOYSA-N
rxn:4:212754:222622,CCC(C)c1cc(-c2ccc3c(c2)sc(=NC(=O)c2ccc([N+](=O)[O-])s2)n3CC(=O)OC)cc(C2CCCNC2)n1,SWINNHNYFIQLRW-UHFFFAOYSA-N
rxn:4:212754:223603,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cc(OCc4cccnc4)c(OC(F)(F)F)cc3Cl)ccc21,IICBPSMKDHOBOO-UHFFFAOYSA-N
rxn:4:212839:222389,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccn23)CC1,WWJPXFWSBAJORF-UHFFFAOYSA-N
rxn:4:212839:222624,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(CC(C)C)nc(C5CCNCC5)c4)ccn23)CC1,XODYWHOILIOAAN-UHFFFAOYSA-N
rxn:4:212839:222630,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCC5)nc(C5CCNCC5)c4)ccn23)CC1,JJNFUROOOVRSIP-UHFFFAOYSA-N
rxn:4:212839:223890,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc5ncn(Cc6ccccc6)c5cc4F)ccn23)CC1,YZLVCTPWDSMDAS-UHFFFAOYSA-N
rxn:4:212839:223994,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4C)ccn23)CC1,OXJDOWHFCNDIQL-UHFFFAOYSA-N
rxn:4:212839:223997,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C)c(S(=O)(=O)N5CCOCC5)c(C)c4)ccn23)CC1,UGJMUAMVODXBAZ-UHFFFAOYSA-N
rxn:4:212845:222628,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)c4)n(Cc4ccco4)c(=O)c23)C1,AKMOKLKOXDWVLK-UHFFFAOYSA-N
rxn:4:213398:222621,CC(C)Cc1cc(-c2ccc(-c3nc(=S)c4c(n3CCCN(C)C)CCCC4)cc2)cc(C2CCCNC2)n1,ZAVCGHSNKYEYKY-UHFFFAOYSA-N
rxn:4:213445:222628,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCC7)nc(C7CCCNC7)c6)c(OC)ccc5c4)nc23)cc1OC,PYDVCLQYQXWTDJ-UHFFFAOYSA-N
rxn:4:213445:222742,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCNCC7)nc(C7CC7)c6)c(OC)ccc5c4)nc23)cc1OC,ZBIJUFFJPUYKOE-UHFFFAOYSA-N
rxn:4:219685:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-c4noc(Cn5c(=O)n(-c6ccc(F)cc6)c(=O)c6sccc65)n4)cc3)c(F)ncc21,FFXZEMYIFBBKCO-UHFFFAOYSA-N
rxn:4:221569:223570,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)cc1,JZVQHKWYBOEOGZ-UHFFFAOYSA-N
rxn:4:221570:223570,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)c1,AGZNUXSYSPHXTO-UHFFFAOYSA-N
rxn:4:221768:223570,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)cc1C,KOVMZQGCAYWOJP-UHFFFAOYSA-N
rxn:4:221786:223845,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1C,ICVBGRVLGBDBPI-UHFFFAOYSA-N
rxn:4:222126:223641,CCc1cc2c(cc1F)cc(-c1ccc(Cn3c(CN4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)cc1)n2C(=O)OC(C)(C)C,WSMVJHYHKQTCFD-UHFFFAOYSA-N
rxn:4:222126:224076,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc4c(ccn4[Si](C)(C)C(C)(C)C)c3)cc2)CC1,TUWRWJDRVNXVHT-UHFFFAOYSA-N
rxn:4:212740:222586,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(C(=O)NCCc4ccc(F)cc4)s3)c2)CC1,UCMJVOLSNMKRCP-UHFFFAOYSA-N
rxn:4:212740:223474,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCCCC3)cc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)c2)CC1,XHDJFELZKQGUIO-UHFFFAOYSA-N
rxn:4:212741:223479,CC1CN(Cc2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,PMKIDIKRAYLYBH-UHFFFAOYSA-N
rxn:4:212741:224670,CC1CN(Cc2ccc(-c3cc(CN4CCN(C)CC4)ccc3F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,BFXVVBKEGZMULX-UHFFFAOYSA-N
rxn:4:212747:223587,COc1cc(COc2ccc(F)c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)c2F)cc(OC)c1,GZYDSAAWYKLQON-UHFFFAOYSA-N
rxn:4:212750:222599,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3)c(F)c2)cc1N1CCCCC1,JPCJCJMDPSNCGJ-UHFFFAOYSA-N
rxn:4:212751:222701,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,YEAIUVFJNYMXMD-UHFFFAOYSA-N
rxn:4:212751:223798,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(COc4cccc(C(F)(F)F)c4)cc3)c2)CCN1C(=O)OC(C)(C)C,KQJAOVHGAKGMFZ-UHFFFAOYSA-N
rxn:4:212751:224122,COc1ccc(CSc2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)cc1,OACLUKVXFJCHRZ-UHFFFAOYSA-N
rxn:4:212786:222700,COCCn1c(=NC(=O)c2cccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)sc2cc(S(N)(=O)=O)ccc21,UGHGRRRAQRGKPT-UHFFFAOYSA-N
rxn:4:212832:222622,CCC(C)c1cc(-c2ccc(-n3c(SCC(=O)N4CCCCC4CC)nc4c(c3=O)SCC4)cc2)cc(C2CCCNC2)n1,FYUTZDBZBBADER-UHFFFAOYSA-N
rxn:4:212839:222742,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCNCC5)nc(C5CC5)c4)ccn23)CC1,WJEZZJGWGYWHCF-UHFFFAOYSA-N
rxn:4:212839:223814,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)ccn23)CC1,MUWHPGFIVIYWHG-UHFFFAOYSA-N
rxn:4:212839:224264,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(-c5cccc(Cl)c5)cc4OC)ccn23)CC1,LMGYGLOLHAGDMN-UHFFFAOYSA-N
rxn:4:212839:224501,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCC5CCCCN5C)cc4)ccn23)CC1,NUGZVTGIHGRPSB-UHFFFAOYSA-N
rxn:4:212839:224590,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CN5CCC(C)CC5)cc4F)ccn23)CC1,GJDPQSPBXIDYIA-UHFFFAOYSA-N
rxn:4:212839:224883,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(C)N5CCCCC5)cc4)ccn23)CC1,WMIAWBMOXKXBDE-UHFFFAOYSA-N
rxn:4:213447:222628,CCC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,MMOLBHWZWAZJDL-UHFFFAOYSA-N
rxn:4:221252:223597,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1,PFNQUVVMMNIHJE-UHFFFAOYSA-N
rxn:4:221540:223542,Cc1ccc(C)c(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)CC2)c1,GRDRMZJUMCRTFG-UHFFFAOYSA-N
rxn:4:221575:223527,CC1CN(c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,QMUAWQBRTDGQGI-UHFFFAOYSA-N
rxn:4:221986:223491,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c3)cc2)CC1,DEZPPQQYKSWXQY-UHFFFAOYSA-N
rxn:4:222126:222429,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(CNC(=O)c4ccc(F)cc4C(F)(F)F)cc3)cc2)CC1,YHGKLQHTZNDAAT-UHFFFAOYSA-N
rxn:4:222126:223542,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OC(F)(F)F)c(S(=O)(=O)N4CCN(C)CC4)c3)cc2)CC1,AMAQKTWMKDRALG-UHFFFAOYSA-N
rxn:4:222126:223599,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,XEAJAMHOHBKWNX-UHFFFAOYSA-N
rxn:4:222132:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,TYXZPMWYGOSUNI-UHFFFAOYSA-N
rxn:4:222135:223606,COc1ccc(-c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c(F)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,HIKINXJLRMLESN-UHFFFAOYSA-N
rxn:4:222135:223841,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,JAUWFUZSJTVBKO-UHFFFAOYSA-N
rxn:4:222138:223802,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc1,JLQLQVMWGSCRNY-UHFFFAOYSA-N
rxn:4:222138:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,IYXBZXNGIXJLFU-UHFFFAOYSA-N
rxn:4:222142:223536,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,XOCWLZPKUWTODU-UHFFFAOYSA-N
rxn:4:222143:223604,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1,HKQPFUJJXHCNKG-UHFFFAOYSA-N
rxn:4:222144:223845,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,XKRXWTKTSPLVOO-UHFFFAOYSA-N
rxn:4:222144:225594,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCCC2)cc1,CBDWPPMFYPAPCE-UHFFFAOYSA-N
rxn:4:222250:223845,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,YJBKHHSQVZNOAI-UHFFFAOYSA-N
rxn:4:222363:222537,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DRHFIPDBJBTMOP-UHFFFAOYSA-N
rxn:4:222363:223901,Cc1cc(CN2CCN(c3c(-c4ccc(OCCN5CCC(C)CC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RHHFXJCKIILJAS-UHFFFAOYSA-N
rxn:4:222363:224667,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(CN5CCN(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GMLIBAYJIPLRGO-UHFFFAOYSA-N
rxn:4:212737:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,PSXHJQPHAMDSML-UHFFFAOYSA-N
rxn:4:212748:222699,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(C4CCCNC4)c(C(F)(F)F)c3)c2)CCN1C(=O)OC(C)(C)C,REKDEGQSMWAQRN-UHFFFAOYSA-N
rxn:4:212839:223993,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(C)c4)ccn23)CC1,CZZFUARMVMDTOL-UHFFFAOYSA-N
rxn:4:213451:224286,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCOCC6)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,UCPDQSYIGGCLBJ-UHFFFAOYSA-N
rxn:4:218785:223570,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1-2,OYACXPZCFULIJY-UHFFFAOYSA-N
rxn:4:219621:223570,CC(=O)Cn1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C,BUCXZUYJVUIAPW-UHFFFAOYSA-N
rxn:4:219775:223570,Cc1ccc(C(=O)N2CCN(c3nc(-c4ccccc4)c4cc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)ccc4n3)CC2)cc1,HVMBZRWZXMFFRT-UHFFFAOYSA-N
rxn:4:221769:223570,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)c1,YYRYLVWMLCFXHB-UHFFFAOYSA-N
rxn:4:221786:224011,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCN(C)CC5)c(F)c4)cc3)c(=O)n2C)cc1C,ZADZGPRLSBHTEW-UHFFFAOYSA-N
rxn:4:221786:224376,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cccc(S(=O)(=O)N5CCN(C)CC5)c4)cc3)c(=O)n2C)cc1C,RBQXFQWSTHMSMP-UHFFFAOYSA-N
rxn:4:221787:223845,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,FHLQLQCXSZJPDP-UHFFFAOYSA-N
rxn:4:221961:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc(C(=O)N4CCC(Oc5ncc(-c6cnn(C)c6)cn5)CC4)c3)c(F)ncc21,WLHWANPPKUVWEU-UHFFFAOYSA-N
rxn:4:222126:223537,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4cc(OC(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,QPWCKNNWJWRITR-UHFFFAOYSA-N
rxn:4:222131:223659,CC(C)CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cc3)nnc12,QJZMBXRWYDZDOO-UHFFFAOYSA-N
rxn:4:222134:223845,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,CYUGSJGCQUNQIY-UHFFFAOYSA-N
rxn:4:222135:223598,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(F)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,JSLKXRBOKIVLOQ-UHFFFAOYSA-N
rxn:4:222138:223796,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(COc3cccc(C(F)(F)F)c3)c2)cc1,WPKYYXUYUAYWTO-UHFFFAOYSA-N
rxn:4:222142:223841,Cc1cc(F)c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,LPLHNILZSPGABC-UHFFFAOYSA-N
rxn:4:222232:223570,CC1=NN(Cc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1,LNZZZFNHMNHCIF-UHFFFAOYSA-N
rxn:4:222362:222524,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC(O)CC6)cc6[nH]ncc56)nn4)cn3c2)CC1,IZAXLSHRGAUEKX-UHFFFAOYSA-N
rxn:4:222362:223828,CCN1CCN(c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc(C(F)(F)F)c2)CC1,YUUYOYJITWCLDP-UHFFFAOYSA-N
rxn:4:222363:222423,COc1c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RYFRFYFUTDGTAX-UHFFFAOYSA-N
rxn:4:222363:222462,Cc1cc(CN2CCN(c3c(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FTBNRFNARLOEQU-UHFFFAOYSA-N
rxn:4:222363:222518,Cc1cc(CN2CCN(c3c(-c4ccc(F)c5sc(NC(=O)OC(C)(C)C)nc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YRDHUVHLLMNXTP-UHFFFAOYSA-N
rxn:4:222363:222600,Cc1cc(CN2CCN(c3c(-c4ccc5nc(NC(=O)OC(C)(C)C)sc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OIWHNRSGCIOPQT-UHFFFAOYSA-N
rxn:4:222363:222621,Cc1cc(CN2CCN(c3c(-c4cc(CC(C)C)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DGVNKSJXIDZOKJ-UHFFFAOYSA-N
rxn:4:222363:222624,Cc1cc(CN2CCN(c3c(-c4cc(CC(C)C)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SASSCWWRAVLRNZ-UHFFFAOYSA-N
rxn:4:222363:222751,Cc1cc(CN2CCN(c3c(-c4ccc(C)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DDWLESYJIJMLHJ-UHFFFAOYSA-N
rxn:4:222363:222949,Cc1cc(CN2CCN(c3c(-c4cc5[nH]ncc5cc4OC(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZYHIZZLOSARRED-UHFFFAOYSA-N
rxn:4:222363:223491,Cc1cc(CN2CCN(c3c(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XPCMZEIKUFXELU-UHFFFAOYSA-N
rxn:4:222363:223527,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OCTVKHRBRJDPOJ-UHFFFAOYSA-N
rxn:4:222363:223579,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5C)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MXCPSLPAFXCLEU-UHFFFAOYSA-N
rxn:4:222363:223815,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SNJPADQXQKYRAI-UHFFFAOYSA-N
rxn:4:222363:223902,Cc1cc(CN2CCN(c3c(-c4ccc(OCCN5CCC(C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YAXZJPNPVHAWQH-UHFFFAOYSA-N
rxn:4:222363:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,VFZKCCOCPKLOPO-UHFFFAOYSA-N
rxn:4:222363:224349,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VSQYKOAONAVIGL-UHFFFAOYSA-N
rxn:4:212745:222628,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c2)CCN1C(=O)OC(C)(C)C,IKIRAMQICJQAFQ-UHFFFAOYSA-N
rxn:4:212748:224713,CCCCOc1ccc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(C(F)(F)F)c1,UEEGLVMCVRLVGX-UHFFFAOYSA-N
rxn:4:221575:223530,CC1CN(c2ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,DZZYNOZLMUKGOV-UHFFFAOYSA-N
rxn:4:221782:223845,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c(C)c1,PXAJSOZVOFEOKZ-UHFFFAOYSA-N
rxn:4:221786:223999,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(C)CC5)ccc4F)cc3)c(=O)n2C)cc1C,YATYEJKGQWCYHD-UHFFFAOYSA-N
rxn:4:221786:224405,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)cc1C,UAOHMDPBYDBWGN-UHFFFAOYSA-N
rxn:4:222125:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-c4cc(N5CCCN(C(=O)c6ccc7[nH]cnc7c6)CC5)[nH]n4)cc3)c(F)ncc21,WSFPNLAFSZEOCE-UHFFFAOYSA-N
rxn:4:222135:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,OSGHELGYEQVEJJ-UHFFFAOYSA-N
rxn:4:222135:223578,COc1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,QUBCHPJISVEGIJ-UHFFFAOYSA-N
rxn:4:222137:223527,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,FYVBACOENGOOJP-UHFFFAOYSA-N
rxn:4:222143:223536,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,DXPSCNKMTGNLKA-UHFFFAOYSA-N
rxn:4:222143:223596,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2N2CCN(C(=O)OC(C)(C)C)CC2)cc1,IWZWHRNXYHOUQH-UHFFFAOYSA-N
rxn:4:222144:223864,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(OCc3ccccc3)cc2C(C)C)cc1,HXNSYSKECFGTER-UHFFFAOYSA-N
rxn:4:222362:222493,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(NC(=O)OCc7ccccc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,ZXKHXEUFFCGNTR-UHFFFAOYSA-N
rxn:4:222362:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)c1,MDGZLFCSKPZIHR-UHFFFAOYSA-N
rxn:4:222362:223499,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)c(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,RXVXNKFYUMDHBZ-UHFFFAOYSA-N
rxn:4:222362:223506,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,IYXIOZQKOUFGOY-UHFFFAOYSA-N
rxn:4:222363:222390,Cc1cc(CN2CCN(c3c(-c4cccc(NC(=O)Nc5cccc(F)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZEXZGUAFFLWFPF-UHFFFAOYSA-N
rxn:4:222363:222465,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OZKQVDSUYNZISQ-UHFFFAOYSA-N
rxn:4:222363:222466,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HCSHNJRULDIFGY-UHFFFAOYSA-N
rxn:4:222363:222468,Cc1cc(CN2CCN(c3c(-c4ccc5cc(NC(=O)OC(C)(C)C)ccc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GPDRZSPEVVRHSC-UHFFFAOYSA-N
rxn:4:222363:222538,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BGYQPEOCZDYTDS-UHFFFAOYSA-N
rxn:4:222363:222705,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GZPBPRDDBJWPMB-UHFFFAOYSA-N
rxn:4:222363:223479,Cc1cc(CN2CCN(c3c(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GSLGEGFNOYQKAT-UHFFFAOYSA-N
rxn:4:222363:223503,Cc1cc(CN2CCN(c3c(-c4c(F)cc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UAOYKAJSIWPYLS-UHFFFAOYSA-N
rxn:4:222363:223578,Cc1cc(CN2CCN(c3c(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UAAPKEKSUXFSLK-UHFFFAOYSA-N
rxn:4:222363:223602,Cc1cc(CN2CCN(c3c(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OAPNJGDZPHHYBD-UHFFFAOYSA-N
rxn:4:222363:223660,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YSWKJFXHIVJTAW-UHFFFAOYSA-N
rxn:4:222363:223676,Cc1cc(CN2CCN(c3c(-c4cc(OCc5ccccc5)cc(C(F)(F)F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MGNMIEVDSKOFQI-UHFFFAOYSA-N
rxn:4:222363:223818,Cc1cc(CN2CCN(c3c(-c4c(F)cc(F)c5c4ccn5C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UOBZGCQEXPNJFW-UHFFFAOYSA-N
rxn:4:222363:223923,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(C(=O)N(C)C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AKCMKLVBPFRJAT-UHFFFAOYSA-N
rxn:4:222363:223963,Cc1cc(CN2CCN(c3c(-c4c(F)ccc(OCc5ccccc5Cl)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DWBVHBFIKBCNMN-UHFFFAOYSA-N
rxn:4:222363:224101,Cc1cc(CN2CCN(c3c(-c4cccc(OCCN5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NLNCSCYEGASAJN-UHFFFAOYSA-N
rxn:4:222363:224155,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MVKRTEHUOKGNFS-UHFFFAOYSA-N
rxn:4:222363:224162,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)N(C(=O)OC(C)(C)C)CC5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HALYDDQUNFAQLX-UHFFFAOYSA-N
rxn:4:222363:224231,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(Cl)c4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VFRICMUJQLGYBZ-UHFFFAOYSA-N
rxn:4:222363:224364,Cc1cc(CN2CCN(c3c(-c4cc(OCC(C)C)cc(OC(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VLHVBPZJSYRGRI-UHFFFAOYSA-N
rxn:4:222363:224398,Cc1cc(CN2CCN(c3c(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CFZNDBFQSDRAHY-UHFFFAOYSA-N
rxn:4:222363:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,OUIVDUCVXVHDEA-UHFFFAOYSA-N
rxn:4:173609:222389,CCOC(=O)c1c(-c2ccccc2)oc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(OC(C)=O)cc12,FUJXHKXVDJUIJX-UHFFFAOYSA-N
rxn:4:212734:222389,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)SC1=S,CYIKUODQBGKSFQ-UHFFFAOYSA-N
rxn:4:212737:224194,CCN1CCN(Cc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2Cl)CC1,BLJLVELHTKSPDA-UHFFFAOYSA-N
rxn:4:212744:223944,Cc1c(Cl)cc2c(cnn2C2CCCCO2)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,RYNADANLBLAAFS-UHFFFAOYSA-N
rxn:4:212744:224163,Cc1c(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)ccc2c1cnn2C1CCCCO1,ZOQSUXXCZAALRK-UHFFFAOYSA-N
rxn:4:212750:223479,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1N1CCCCC1,PDJOAYBDFBMJOS-UHFFFAOYSA-N
rxn:4:212839:222718,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)ccn23)CC1,ZYINBAXGDWHJDS-UHFFFAOYSA-N
rxn:4:212839:224153,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(N5CCCC5)cc(N5CCCC5)c4)ccn23)CC1,DEWLSDLBNSUDMO-UHFFFAOYSA-N
rxn:4:212843:224193,CCN1CCN(Cc2cc(-c3ccc(N4CCN(C)CC4)c4c3CC[C@@H](N(Cc3ccccc3)Cc3ccccc3)C4)ccc2F)CC1,WSVUCAWNEUINSD-DIPNUNPCSA-N
rxn:4:212851:224300,CCOc1cc2nc3c4cc(-c5ccc(C(=O)N6CCSCC6)cc5OC)ccc4n(CC(C)C)c3nc2cc1OCC,MNQJXHXYYPVKBG-UHFFFAOYSA-N
rxn:4:213445:223841,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(S(=O)(=O)N7CCN(C)CC7)c(C)cc6F)c(OC)ccc5c4)nc23)cc1OC,MCSMZLSPHQTERO-UHFFFAOYSA-N
rxn:4:221273:222537,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,XVYSATADVOKEKE-UHFFFAOYSA-N
rxn:4:221786:223842,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cc3)c(=O)n2C)cc1C,WPVNMXXRMNDNOB-UHFFFAOYSA-N
rxn:4:222346:222423,COc1c(-c2cncc(C(=O)N3CC4CN(c5ccc6nncn6n5)CC4C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AAGUIGSMUVWVRR-UHFFFAOYSA-N
rxn:4:222362:222423,COc1c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IHIRAMGUOKPGTA-UHFFFAOYSA-N
rxn:4:222362:222424,CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)c3)cccc12,YSIOSLGKVIQEKC-UHFFFAOYSA-N
rxn:4:222362:222461,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc(F)c7sc(NC(=O)OC(C)(C)C)nc67)cc6[nH]ncc56)nn4)cn3c2)CC1,GXMXTKJJRGNYHI-UHFFFAOYSA-N
rxn:4:222362:223528,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OJWOVQIQYFZYDR-UHFFFAOYSA-N
rxn:4:222363:222389,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DWGRGDLFKXQLSO-UHFFFAOYSA-N
rxn:4:222363:222461,Cc1cc(CN2CCN(c3c(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XYCJCXBOKLHDSF-UHFFFAOYSA-N
rxn:4:222363:222475,Cc1ccc(CNC(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)ccc2F)cc1,DYVBIFSPWOYTQF-UHFFFAOYSA-N
rxn:4:222363:222628,Cc1cc(CN2CCN(c3c(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LUAZWPAPAFZIKH-UHFFFAOYSA-N
rxn:4:222363:222630,Cc1cc(CN2CCN(c3c(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YQKORXGJJZIXRH-UHFFFAOYSA-N
rxn:4:222363:222740,Cc1cc(CN2CCN(c3c(-c4cc(C(C)C)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NRDKUMBAUCWDNO-UHFFFAOYSA-N
rxn:4:222363:222741,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)nc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PJKPSBCGXQIFBO-UHFFFAOYSA-N
rxn:4:222363:223480,Cc1cc(CN2CCN(c3c(-c4cc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GTQIXAPEXAHGQC-UHFFFAOYSA-N
rxn:4:222363:223502,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VXRFJSDLJKGGGX-UHFFFAOYSA-N
rxn:4:222363:223541,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LEMXKURUEOCVRW-UHFFFAOYSA-N
rxn:4:222363:223562,Cc1cc(CN2CCN(c3c(-c4ccc(CC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ULZIAVSVTWZSDU-UHFFFAOYSA-N
rxn:4:222363:223675,Cc1cc(CN2CCN(c3c(-c4cc(OCc5ccccc5)c(C(F)(F)F)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SXCGDWIPKHDBJO-UHFFFAOYSA-N
rxn:4:222363:223918,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)N(C)C5CCCCC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QBTYWSICVPUHPZ-UHFFFAOYSA-N
rxn:4:222363:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,DRRRLSIGJJKJQU-UHFFFAOYSA-N
rxn:4:222363:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,DUQQLDUDMKXRQV-UHFFFAOYSA-N
rxn:4:222363:224702,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OC5CCCC5)c(F)c4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GRNNLMXMFPHWHU-UHFFFAOYSA-N
rxn:4:222363:224704,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c(N5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,TVLJDVLGQHBPSK-UHFFFAOYSA-N
rxn:4:222363:225116,CCCCOc1c(F)c(C)cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1F,XTUSXTDUARXGIB-UHFFFAOYSA-N
rxn:4:222363:225201,Cc1cc(CN2CCN(c3c(-c4ccc(OC5CCCC5)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NGFWMYQJQSINLC-UHFFFAOYSA-N
rxn:4:222363:227369,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OC4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HRKGHTHTUYCAQV-UHFFFAOYSA-N
rxn:4:221252:222389,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,AEOKMYRCBQGNOH-UHFFFAOYSA-N
rxn:4:221262:222537,COCCn1c(C)cn2c3c(=O)n(Cc4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)c(=O)n(C)c3nc12,ZXRMEFHSMOMNDV-UHFFFAOYSA-N
rxn:4:221277:222389,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,BPANYRWELAPRAM-UHFFFAOYSA-N
rxn:4:221786:223992,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)c(=O)n2C)cc1C,UZGHPDDQAGZWEL-UHFFFAOYSA-N
rxn:4:222123:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc7c(c6)CCC7)C(=O)C54)n3)cc2)CC1,BFZLCAVMTPLMPP-UHFFFAOYSA-N
rxn:4:222132:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,MKCKYPCKZFNXJM-UHFFFAOYSA-N
rxn:4:222133:223841,Cc1cc(F)c(-c2ccc(-c3nnc4n(CCc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,IRNWSIKXOAUFEQ-UHFFFAOYSA-N
rxn:4:222134:223597,COc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,NFBNJIWMBXGYSP-UHFFFAOYSA-N
rxn:4:222144:222461,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,JKKVWCLOJHXRJH-UHFFFAOYSA-N
rxn:4:222362:222434,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)Nc7cccc(OC(F)(F)F)c7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,HXUPKKYVNPYGFB-UHFFFAOYSA-N
rxn:4:222362:222494,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(NC(=O)OCc7ccccc7)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,MTFIEMQYGNBBJL-UHFFFAOYSA-N
rxn:4:222362:223500,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OLYNBBHMUKIMKM-UHFFFAOYSA-N
rxn:4:222362:223542,CN1CCN(S(=O)(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2OC(F)(F)F)CC1,KEHFOUDADNVGER-UHFFFAOYSA-N
rxn:4:222362:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,ZUSGIYHRFZBPHK-UHFFFAOYSA-N
rxn:4:222363:222481,Cc1ccc(C)c(NC(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)ccc2F)c1,ZKFZFPXUEKTVBR-UHFFFAOYSA-N
rxn:4:222363:222699,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCCNC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BRINKPSDEPMWLM-UHFFFAOYSA-N
rxn:4:222363:222700,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UIEJSUZLVSTXQP-UHFFFAOYSA-N
rxn:4:222363:222742,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)nc(C5CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GXCXNTGSFZWUKB-UHFFFAOYSA-N
rxn:4:222363:223498,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VDVFRAYNVHHNSF-UHFFFAOYSA-N
rxn:4:222363:223520,Cc1cc(CN2CCN(c3c(-c4ccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PPVVOGIPVMWJJY-UHFFFAOYSA-N
rxn:4:222363:223528,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MHFGVVASUBVUFT-UHFFFAOYSA-N
rxn:4:222363:223577,Cc1cc(CN2CCN(c3c(-c4ccc(OC5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LQUFZEKBXQLLAD-UHFFFAOYSA-N
rxn:4:222363:223588,Cc1cc(CN2CCN(c3c(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RCUUBFYOKAEIII-UHFFFAOYSA-N
rxn:4:222363:223590,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YOXJOYVMFNUQNG-UHFFFAOYSA-N
rxn:4:222363:223707,Cc1cc(CN2CCN(c3c(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MMQPLWQUQXANPO-UHFFFAOYSA-N
rxn:4:222363:223845,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DCBOOSYJSTXLKB-UHFFFAOYSA-N
rxn:4:222363:224256,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N5CCCCC5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SZEAUEZEODESCP-UHFFFAOYSA-N
rxn:4:222363:224281,COc1cc(OC)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(OC)nc2c1,QSVJVPGVJPVRGF-UHFFFAOYSA-N
rxn:4:222363:224303,Cc1cc(CN2CCN(c3c(-c4ccc(O[Si](C)(C)C(C)(C)C)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XITJAMKCDOZVDR-UHFFFAOYSA-N
rxn:4:222363:224664,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(CN5CCN(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,APRLSNSQTCKLEL-UHFFFAOYSA-N
rxn:4:222363:224736,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4OCC(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DTZCXMJIXFKGQG-UHFFFAOYSA-N
rxn:4:222363:225601,Cc1cc(CN2CCN(c3c(-c4ccc(C5(C#N)CCC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LTIJENGUBUKGGO-UHFFFAOYSA-N
rxn:4:222363:225967,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5C)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NUMVOZRSOURILI-UHFFFAOYSA-N
rxn:4:222363:227155,Cc1cc(CN2CCN(c3c(-c4cc(C)c5cnn(C)c5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KLCWKNYGYINWPH-UHFFFAOYSA-N
rxn:4:173609:223841,CCOC(=O)c1c(-c2ccccc2)oc2cc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)c(OC(C)=O)cc12,DTIAOEQJFNHETQ-UHFFFAOYSA-N
rxn:4:212832:224290,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc1)SCC2,JRGBMGILTNYXDZ-UHFFFAOYSA-N
rxn:4:213448:222742,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cc(C6CCNCC6)nc(C6CC6)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,RVCNELWQUTXKMM-UHFFFAOYSA-N
rxn:4:221555:223603,Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)cc1,FBYYHIIHEVCDKV-UHFFFAOYSA-N
rxn:4:221782:222628,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,MFQVRSPVONTWQS-UHFFFAOYSA-N
rxn:4:221786:223698,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)c(=O)n2C)cc1C,AZIUAHFWWQMHEU-UHFFFAOYSA-N
rxn:4:222137:223806,COc1ccc(COc2c(F)ccc(-c3ccc(-n4c(C)cn5c6c(=O)n(CCN7CCOCC7)c(=O)n(C)c6nc45)cc3)c2F)cc1,ORIHNRBURVQCPX-UHFFFAOYSA-N
rxn:4:222138:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)c3cc(Cl)cnc32)cc1,HJBVPALMCFFANR-UHFFFAOYSA-N
rxn:4:222138:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)CC1,DCVVOXBHIZDSTC-UHFFFAOYSA-N
rxn:4:222272:222389,Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)c5)no4)cnc32)cc1,SUCBOLFLFFGVIK-UHFFFAOYSA-N
rxn:4:222353:222461,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6c(F)cc(F)c7sc(NC(=O)OC(C)(C)C)nc67)cc5)c(C)nn43)c2=O)[nH]1,ZHIAEFXDYMQOBG-UHFFFAOYSA-N
rxn:4:222362:223480,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,BKEYYLYUJCWKKB-UHFFFAOYSA-N
rxn:4:222362:223492,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LXSBSCHKCQWIOG-UHFFFAOYSA-N
rxn:4:222362:223530,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6CN6CCN(C(=O)OC(C)(C)C)CC6)cc6[nH]ncc56)nn4)cn3c2)CC1,DOFUEQMHHSLRNF-UHFFFAOYSA-N
rxn:4:222362:223541,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC7(CC6)OCCO7)cc6[nH]ncc56)nn4)cn3c2)CC1,XRCVZXLXDQUXED-UHFFFAOYSA-N
rxn:4:222362:223573,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,FDHQSCKWTFYWFV-UHFFFAOYSA-N
rxn:4:222362:223574,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,SIZGCQCXRUJQKV-UHFFFAOYSA-N
rxn:4:222362:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,MBKHOVQGKUUYGO-UHFFFAOYSA-N
rxn:4:222363:222426,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)C4(CCN(C(=O)OC(C)(C)C)CC4)C(=O)N5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YWUWDWUMJVOBGI-UHFFFAOYSA-N
rxn:4:222363:222458,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)Nc5cccc([N+](=O)[O-])c5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,URWSOVCOQJMEPN-UHFFFAOYSA-N
rxn:4:222363:222622,CCC(C)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCCNC2)n1,FYQOHHYQYKJEAE-UHFFFAOYSA-N
rxn:4:222363:222785,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PPIASCWEXAVMTL-UHFFFAOYSA-N
rxn:4:222363:223492,Cc1cc(CN2CCN(c3c(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CBMWRMQNQJJOCO-UHFFFAOYSA-N
rxn:4:222363:223521,Cc1cc(CN2CCN(c3c(-c4cccc(C(C)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YDJIRUBZLNATRM-UHFFFAOYSA-N
rxn:4:222363:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c3ccccc23)CC1,XSCXNHAEAKSPMC-UHFFFAOYSA-N
rxn:4:222363:223536,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PHPCBWABBIAZJP-UHFFFAOYSA-N
rxn:4:222363:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,CDSBLIJMCCHENI-UHFFFAOYSA-N
rxn:4:222363:223975,Cc1cc(CN2CCN(c3c(-c4cn(C(=O)OC(C)(C)C)c5ccc(Cl)nc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UYKAPBAMQAJWRA-UHFFFAOYSA-N
rxn:4:222363:224205,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(F)c4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UNRRPZSZVIJXID-UHFFFAOYSA-N
rxn:4:222363:224212,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4ccccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FOXPRIQJLXARTM-UHFFFAOYSA-N
rxn:4:222363:224238,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(OCc5ccccc5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QCRUMDLEJIGZKD-UHFFFAOYSA-N
rxn:4:222363:224705,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCC(C)CC5)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VXXHDRLQFKCAAE-UHFFFAOYSA-N
rxn:4:222363:224780,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCOC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YZLSJKJOYKAREC-UHFFFAOYSA-N
rxn:4:222363:225273,CCCOc1cc(C(F)(F)F)ccc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,SRJHPTKLDQONCQ-UHFFFAOYSA-N
rxn:4:222363:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,JMJYNHCQXAZJJC-UHFFFAOYSA-N
rxn:4:222363:227463,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c5ccoc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UTITWDUPTUJGTP-UHFFFAOYSA-N
rxn:4:212839:222695,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C)c(S(=O)(=O)NC5CCCC5)c4)ccn23)CC1,YYQOHJQPSKQRGL-UHFFFAOYSA-N
rxn:4:212839:224187,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OCCN5CCCCC5)cc4F)ccn23)CC1,CJRMWBOGRUOIBQ-UHFFFAOYSA-N
rxn:4:219163:222389,CC(C)Cc1nc(SCc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,PCEALGRUUQXMEA-UHFFFAOYSA-N
rxn:4:221273:222538,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,BNVKSEAVJDXPTD-UHFFFAOYSA-N
rxn:4:221563:224195,CCN1CCN(Cc2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCC(C)C)c(=O)n4C)cc3)ccc2Cl)CC1,FNGXQSXMUVXHEV-UHFFFAOYSA-N
rxn:4:221988:222389,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3OC)nnc12,RTQNVZJPMPSRMZ-UHFFFAOYSA-N
rxn:4:222144:224018,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCOCC2)cc1,LXSUHGXHHNOAKM-UHFFFAOYSA-N
rxn:4:222246:222389,CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5cccc(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)c5)no4)cnc32)cc1,GPSREJLXVLKNKK-UHFFFAOYSA-N
rxn:4:222250:223699,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,GQVFWEBBJZSHHW-UHFFFAOYSA-N
rxn:4:222349:223522,Cn1cnc2c(N3CC4CN(C(=O)c5cncc(-c6cc(F)cc(N7CCC(O[Si](C)(C)C(C)(C)C)CC7)c6)c5)CC4C3)ncnc21,BBTZAVJIVCDCKA-UHFFFAOYSA-N
rxn:4:222362:222460,COc1cc(NS(=O)(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)ccc1F,QLZUNRPYRKAXRK-UHFFFAOYSA-N
rxn:4:222362:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c3ccccc23)CC1,LUXPTHQVZSEKRN-UHFFFAOYSA-N
rxn:4:222362:223606,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCC8(CC7)OCCO8)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,CDDSWBLOKAAXOP-UHFFFAOYSA-N
rxn:4:222362:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)cc2C)CC1,GNSPMPUAHQZAHH-UHFFFAOYSA-N
rxn:4:222362:223992,Cc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCN(C)CC1,OQOHEOHNTTURFS-UHFFFAOYSA-N
rxn:4:222362:226138,Cc1cc(C#N)cc(C2CC2)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,USWQNFAUGMTCLO-UHFFFAOYSA-N
rxn:4:222363:222438,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)Nc5cc([N+](=O)[O-])ccc5F)ccc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KIEJFTWKWOUUQX-UHFFFAOYSA-N
rxn:4:222363:222715,Cc1cc(CN2CCN(c3c(-c4cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,TYAXXARJJNPZJV-UHFFFAOYSA-N
rxn:4:222363:223007,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GSYAQXLFGDCIKC-UHFFFAOYSA-N
rxn:4:222363:223478,Cc1cc(CN2CCN(c3c(-c4cccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XLIVBNCCCMSGLG-UHFFFAOYSA-N
rxn:4:222363:223493,Cc1cc(CN2CCN(c3c(-c4cc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)ccc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DCHVOBPACFZPLM-UHFFFAOYSA-N
rxn:4:222363:223505,Cc1cc(CN2CCN(c3c(-c4ccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CMUKQKYBXYGJFN-UHFFFAOYSA-N
rxn:4:222363:223531,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YIPUAXMEAJYNNJ-UHFFFAOYSA-N
rxn:4:222363:223589,Cc1cc(CN2CCN(c3c(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VVKRMVYKONWRHD-UHFFFAOYSA-N
rxn:4:222363:223593,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FPMBEMJZRAOYJJ-UHFFFAOYSA-N
rxn:4:222363:223687,Cc1cc(CN2CCN(c3c(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LDXWDEWGVWCOJS-UHFFFAOYSA-N
rxn:4:222363:223908,COc1ccc(COc2cc(Cl)ccc2-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1,QDUZBTXWASWUSS-UHFFFAOYSA-N
rxn:4:222363:223960,CCN1CCN(C(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)ccc2F)CC1,WWIJZIPOHCPTAS-UHFFFAOYSA-N
rxn:4:222363:224065,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KOLHGTMGKKPEMB-UHFFFAOYSA-N
rxn:4:222363:224280,Cc1cc(CN2CCN(c3c(-c4cc5c(s4)CCN(C(=O)OC(C)(C)C)C5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YLWZOWANTLVNPS-UHFFFAOYSA-N
rxn:4:222363:224581,Cc1ccn(-c2ccc(C3CC3)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)n1,SFBFGYXHTNBPPI-UHFFFAOYSA-N
rxn:4:222363:225408,Cc1cc(CN2CCN(c3c(-c4cc5c6c(c4)CCCN6CCC5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JHPDYHSAMUSPOC-UHFFFAOYSA-N
rxn:4:222363:226768,CSc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1C(F)(F)F,SMTQGFAIKQDLIH-UHFFFAOYSA-N
rxn:4:219680:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CSc4nc(-c5ccco5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)ncc21,MJAUJOPEFNKDTH-UHFFFAOYSA-N
rxn:4:221270:223845,CCOCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)n(C)c1=O,PLMILIIJVNUJHV-UHFFFAOYSA-N
rxn:4:222144:224015,Cc1cc(F)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCOCC1,RDGKNQPJZYCAJX-UHFFFAOYSA-N
rxn:4:222362:222621,CC(C)Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)n1,HQFFSIFAEDPXHT-UHFFFAOYSA-N
rxn:4:222362:222997,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)cc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,XPYFGFNOFULDOG-UHFFFAOYSA-N
rxn:4:222362:223245,COc1c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc2[nH]ncc12,GTUCFQHEFZVAOB-UHFFFAOYSA-N
rxn:4:222362:223529,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,NBFJNZQBYNHWNW-UHFFFAOYSA-N
rxn:4:222362:223532,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(CN7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PVGHTDAPSIWARI-UHFFFAOYSA-N
rxn:4:222362:223591,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(N7CCN(C(=O)OC(C)(C)C)CC7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,JMQUIQGWZVVFIJ-UHFFFAOYSA-N
rxn:4:222362:223594,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(Cl)cc(N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,VZCFZCFAYSULEY-UHFFFAOYSA-N
rxn:4:222362:223642,Cc1ccc(S(=O)(=O)n2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c3ccccc32)cc1,FVKVHSIVGLUIOO-UHFFFAOYSA-N
rxn:4:222362:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2C)CC1,NKTOMNCZTGKYJJ-UHFFFAOYSA-N
rxn:4:222362:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,TXZFSTPXQWRKBI-UHFFFAOYSA-N
rxn:4:222362:223734,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCc7ccc(C(C)(C)C)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,PNSITCRNGFHWTM-UHFFFAOYSA-N
rxn:4:222362:223749,COc1ccc(Cn2cnc3cc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)ccc32)cc1,DYBRXGCVVMUVOX-UHFFFAOYSA-N
rxn:4:222362:223814,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCC8(CC7)OCCO8)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,VUNXGQLGNOQPIJ-UHFFFAOYSA-N
rxn:4:222362:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,OBHJGBWQLNTHRT-UHFFFAOYSA-N
rxn:4:222362:223841,Cc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCN(C)CC1,RNBQRHVMXORZRG-UHFFFAOYSA-N
rxn:4:222362:223883,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(c6)CCCN7C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,YUDBMQIJWDWMDS-UHFFFAOYSA-N
rxn:4:222362:224115,COc1cc(OCc2ccccc2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,HKMMVGNSNAUQHW-UHFFFAOYSA-N
rxn:4:222362:224192,CCN1CCN(Cc2ccc(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,RENHOZORFKXHOP-UHFFFAOYSA-N
rxn:4:222362:224195,CCN1CCN(Cc2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2Cl)CC1,LAMMGPDORIMPDV-UHFFFAOYSA-N
rxn:4:222362:224668,CCN1CCN(c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,NKWZRPMIAHQUSS-UHFFFAOYSA-N
rxn:4:222363:222532,Cc1ccc(C)c(NC(=O)c2cccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c1,RZFGEBJRUBDTSW-UHFFFAOYSA-N
rxn:4:222363:223533,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XDYLHTZJHXHUKG-UHFFFAOYSA-N
rxn:4:222363:223534,Cc1cc(CN2CCN(c3c(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XGABEXUTHXZDCC-UHFFFAOYSA-N
rxn:4:222363:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(F)cc2C)CC1,KUWOAVPYTYYNAK-UHFFFAOYSA-N
rxn:4:222363:223814,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SGJQBVBNWWKDQN-UHFFFAOYSA-N
rxn:4:222363:223878,Cc1cc(CN2CCN(c3c(-c4cc(C)c(OCc5ccc(Cl)cc5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PMOBFYJQBSDXHW-UHFFFAOYSA-N
rxn:4:222363:224208,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4cccc(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FKDNTQRVNFPDCU-UHFFFAOYSA-N
rxn:4:222363:224218,Cc1cc(CN2CCN(c3c(-c4c(F)ccc(OCc5ccccc5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NROWJZIEXXGPID-UHFFFAOYSA-N
rxn:4:222363:224221,Cc1cc(CN2CCN(c3c(-c4c(OCc5ccccc5)ccc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BKXUVLGLTRCKJA-UHFFFAOYSA-N
rxn:4:222363:224661,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(-n2nc(C)cc2C)c1,RGSFOTIKNWWKGP-UHFFFAOYSA-N
rxn:4:222363:224730,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ccc4OCC(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CVRVGQOAQBPSMC-UHFFFAOYSA-N
rxn:4:222363:225056,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCC(C)C5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JUTVAEVJSFHNQI-UHFFFAOYSA-N
rxn:4:222363:225547,CCCCOc1cc(F)c(C)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,ASJLZAHXWDYFES-UHFFFAOYSA-N
rxn:4:222363:227777,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4[N+](=O)[O-])cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JDSKVWNWUGYJHW-UHFFFAOYSA-N
rxn:4:212845:222700,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)c4)n(Cc4ccco4)c(=O)c23)C1,ISHXJRPSIVTLNQ-UHFFFAOYSA-N
rxn:4:221735:222389,Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)n(C)c1=O,ZUZBUVJEAVPEJO-UHFFFAOYSA-N
rxn:4:221995:224916,Cc1cc(N2CCCC(C)C2)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,MDSKDPFGVZOZQR-UHFFFAOYSA-N
rxn:4:222126:223848,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c(CN5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)CC1,SHLREPMZEWHDBP-KWQFAZJVSA-N
rxn:4:222132:223578,COc1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,LEVUWBSLNXALAE-UHFFFAOYSA-N
rxn:4:222195:222389,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)CC1,FPWKQKGZIGVJAE-UHFFFAOYSA-N
rxn:4:222250:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCn6ccnc6)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AUGDBGGCMBOSTR-UHFFFAOYSA-N
rxn:4:222352:223570,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6c(F)ncc7c6ccn7[Si](C(C)C)(C(C)C)C(C)C)cc5)c(C)nn43)c2=O)[nH]1,HUGWPBCKDVTZFB-UHFFFAOYSA-N
rxn:4:222353:223953,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(F)cc(N7CCN(CCOC)CC7)c6)cc5)c(C)nn43)c2=O)[nH]1,RLMRDZWPHQBJRG-UHFFFAOYSA-N
rxn:4:222362:222848,CCc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)n1,KOYFMBMJTAUEGV-UHFFFAOYSA-N
rxn:4:222362:223495,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)c7ccccc67)cc6[nH]ncc56)nn4)cn3c2)CC1,WWBMZIYVAPHVRO-UHFFFAOYSA-N
rxn:4:222362:223505,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,XOKHJWBGIVIYRF-UHFFFAOYSA-N
rxn:4:222362:223521,CC(c1cccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1)N1CCN(C(=O)OC(C)(C)C)CC1,ZHRKARONHYWPNU-UHFFFAOYSA-N
rxn:4:222362:223536,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)c(N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PWCJCANEBZUCOH-UHFFFAOYSA-N
rxn:4:222362:223636,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C7CCCN(C(=O)OC(C)(C)C)C7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GIMOWUCCBIKPEU-UHFFFAOYSA-N
rxn:4:222362:223643,Cc1ccc(S(=O)(=O)n2c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc3ccccc32)cc1,IOWGGLGRILKWEG-UHFFFAOYSA-N
rxn:4:222362:223733,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(OCc7ccc(C(C)(C)C)cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WPQYDWFIMUSPPI-UHFFFAOYSA-N
rxn:4:222362:223808,COc1ccc(COc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2F)cc1,FSNOGWCWTZIMAS-UHFFFAOYSA-N
rxn:4:222362:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,BBUPQXVSSVIEJA-UHFFFAOYSA-N
rxn:4:222362:223930,Cc1cc2c(cnn2C(=O)OC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RKFRGDHGQFZFQQ-UHFFFAOYSA-N
rxn:4:222362:224071,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc([Si](C)(C)C)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,HUJYSLKPODUYQY-UHFFFAOYSA-N
rxn:4:222362:224196,CCN1CCN(Cc2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,ISQDXFHMGLEZLP-UHFFFAOYSA-N
rxn:4:222362:224596,COc1cc(N2CCCCC2C)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,GAXYCUTVKMJJEX-UHFFFAOYSA-N
rxn:4:222362:224628,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(Cl)cnc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,OUNQCTUKVPLNLD-UHFFFAOYSA-N
rxn:4:222363:222445,COc1cccc(CNC(=O)c2cccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2F)c1,PVUPTZBCUJQQMF-UHFFFAOYSA-N
rxn:4:222363:222452,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c(NC(=O)OCc5ccccc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CLRNHAHXTGCKAW-UHFFFAOYSA-N
rxn:4:222363:223068,Cc1cc(CN2CCN(c3c(-c4ccc5[nH]c(C(F)(F)F)cc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XEZLWJISVLBCEM-UHFFFAOYSA-N
rxn:4:222363:223809,Cc1cc(CN2CCN(c3c(-c4cc(N5CCOCC5)cc(N5CCOCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CCPLCJKMMUGANP-UHFFFAOYSA-N
rxn:4:222363:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)CC1,JALJQQIEBVLGGP-UHFFFAOYSA-N
rxn:4:222363:223917,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C(=O)N(C)C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IYJHNYPNPVKZCR-UHFFFAOYSA-N
rxn:4:222363:224007,Cc1cc(CN2CCN(c3c(-c4cc(OC(F)(F)F)cc(OCC(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WPGAJTWIGGKABP-UHFFFAOYSA-N
rxn:4:222363:224064,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCCCC5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LHORCDTWZQWVPA-UHFFFAOYSA-N
rxn:4:222363:224235,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QDQUETWEZJXNAY-UHFFFAOYSA-N
rxn:4:222363:224307,Cc1cc(CN2CCN(c3c(-c4c(F)cc(O[Si](C)(C)C(C)(C)C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JNUKBJVILMLJTE-UHFFFAOYSA-N
rxn:4:222363:225053,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCCC5C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VHZHGMANOGKJRI-UHFFFAOYSA-N
rxn:4:222363:225602,Cc1cc(CN2CCN(c3c(-c4cc(C5(C#N)CCC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MMMOHBGYHHJYTD-UHFFFAOYSA-N
rxn:4:222363:225666,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AWHPNRJIMOKCFO-UHFFFAOYSA-N
rxn:4:173639:222423,COc1c(-c2ccc(-c3cc(OC(=O)COc4ccc(Cl)cc4)cc4sc(=O)oc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YKJBEJCQHOSFLM-UHFFFAOYSA-N
rxn:4:213371:222389,CCCc1cnc2c(c1SCc1ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc1)c(=O)n(C)c(=O)n2C,QVYMKDDGVQODHA-UHFFFAOYSA-N
rxn:4:221761:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)cc2)CC1,XHKYDNYGPZSLCZ-UHFFFAOYSA-N
rxn:4:221987:223491,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)ccc3OC)nnc12,YALOMKDIWQQYEO-UHFFFAOYSA-N
rxn:4:222137:223824,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccccc2)cc1,ARXNNFLKMXXHDH-UHFFFAOYSA-N
rxn:4:222138:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)CC1,SPTSGNMBDDZLJV-UHFFFAOYSA-N
rxn:4:222144:223835,Cc1cc(F)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCC(C)CC1,COELQUIMCCRTTM-UHFFFAOYSA-N
rxn:4:222144:223894,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cccc(OCCCN3CCN(C)CC3)c2)cc1,YOKZGDFROVFEAC-UHFFFAOYSA-N
rxn:4:222195:222630,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2)CC1,QMWBRLDCUCRXLV-UHFFFAOYSA-N
rxn:4:222362:222426,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(c6)C6(CCN(C(=O)OC(C)(C)C)CC6)C(=O)N7)cc6[nH]ncc56)nn4)cn3c2)CC1,MLYIGADCUNOOBV-UHFFFAOYSA-N
rxn:4:222362:222538,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,LVSWWLLYLAEZSE-UHFFFAOYSA-N
rxn:4:222362:223520,CC(c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1)N1CCN(C(=O)OC(C)(C)C)CC1,RQTQBMXJDMHMFE-UHFFFAOYSA-N
rxn:4:222362:223659,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cnn(CC7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,HUSQGQCXEJVUMK-UHFFFAOYSA-N
rxn:4:222362:223660,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)s6)cc6[nH]ncc56)nn4)cn3c2)CC1,DATNIEXLPVKVBG-UHFFFAOYSA-N
rxn:4:222362:223730,Cc1ccc(C(C)C)c(OCc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)c1,XBOFETUCZXAPOU-UHFFFAOYSA-N
rxn:4:222362:223812,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(CN7CCC8(CC7)OCCO8)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GKFKSBJNAGSZAE-UHFFFAOYSA-N
rxn:4:222362:223835,Cc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCC(C)CC1,WFLQPVVYLWOJKQ-UHFFFAOYSA-N
rxn:4:222362:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MUOMGLCKIRQJHX-UHFFFAOYSA-N
rxn:4:222362:224015,Cc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCOCC1,IIIVUWRJDVFDEV-UHFFFAOYSA-N
rxn:4:222362:224194,CCN1CCN(Cc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2Cl)CC1,ACIIWCLCHUAGBM-UHFFFAOYSA-N
rxn:4:222362:224290,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)cc6OCCN6CCOCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,GXONLKOUUXSDRT-UHFFFAOYSA-N
rxn:4:222362:224316,CN1CCN(C(=O)c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,IKJFBZVKTJLIEC-UHFFFAOYSA-N
rxn:4:222362:224398,Cc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCCC1,LZCUFFYVBTYSKG-UHFFFAOYSA-N
rxn:4:222362:224741,COc1cc(C2OCCO2)cc(OC)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,IOBLARJAJSGXSW-UHFFFAOYSA-N
rxn:4:222362:225048,Cc1cc(N2CCN(C)CC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LIGBPOLPKDWAAY-UHFFFAOYSA-N
rxn:4:222362:226044,COc1c([N+](=O)[O-])cc(F)c(F)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,KPAOUUBQWNZFHT-UHFFFAOYSA-N
rxn:4:222362:226783,COc1cc(F)c(F)c(OC)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RSNYKPCDXMIOLU-UHFFFAOYSA-N
rxn:4:222363:222411,CNC(=S)Nc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1,DOTSFQOWFPHDMR-UHFFFAOYSA-N
rxn:4:222363:222602,Cc1cc(CN2CCN(c3c(-c4cc(CC(C)C)sc4S(=O)(=O)NC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OVQGAXLCZQGUJM-UHFFFAOYSA-N
rxn:4:222363:223529,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NUGXQTBZOBCLBK-UHFFFAOYSA-N
rxn:4:222363:223532,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GYKAWJCMGRVAJQ-UHFFFAOYSA-N
rxn:4:222363:224213,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4cccc(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GKSGCHJHFKOPAT-UHFFFAOYSA-N
rxn:4:222363:224229,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OCc5ccccc5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DSUINYCJFYMTNR-UHFFFAOYSA-N
rxn:4:222363:224305,Cc1cc(CN2CCN(c3c(-c4ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YRVCZKVLKNVVPT-UHFFFAOYSA-N
rxn:4:222363:224337,Cc1cc(CN2CCN(c3c(-c4cnc(C(F)(F)F)c(C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DIZOBNRHZMRGTM-UHFFFAOYSA-N
rxn:4:222363:224557,Cc1cc(CN2CCN(c3c(-c4ccccc4OCc4ccccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WNMLWQRWLKOUHJ-UHFFFAOYSA-N
rxn:4:222363:224775,Cc1cc(CN2CCN(c3c(-c4cnc(C(F)(F)F)c(C5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HJXOLJSOIVVBOY-UHFFFAOYSA-N
rxn:4:222363:225328,CCCSc1ncc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,FGARWJGHBRPWJP-UHFFFAOYSA-N
rxn:4:222363:227661,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,STAJOKOVXDHANS-UHFFFAOYSA-N
rxn:4:200021:222389,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,FXHXESZHWSJSMX-UHFFFAOYSA-N
rxn:4:201186:222389,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,XSBYIWJVLAGCMU-UHFFFAOYSA-N
rxn:4:219527:222389,O=C(c1cncc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1,RUJOCEQUZBHLGF-UHFFFAOYSA-N
rxn:4:221252:222628,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc1,XPCPSDHCFVVBBC-UHFFFAOYSA-N
rxn:4:221530:222389,Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)c5)no4)ccn3n2)cc1C,PRGHLNBMNUNGNX-UHFFFAOYSA-N
rxn:4:221531:222389,Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)c5)no4)ccn3n2)cc1C,BNABLHBWVXPXIF-UHFFFAOYSA-N
rxn:4:221538:222537,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1,CERRIZNKLAIRTF-UHFFFAOYSA-N
rxn:4:221574:222389,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,KIGJLOHEHYIRLX-UHFFFAOYSA-N
rxn:4:221766:223845,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1,PDXFLQGLOHQFIG-UHFFFAOYSA-N
rxn:4:221929:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AHDOVEZDUVFNQX-UHFFFAOYSA-N
rxn:4:222138:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,WGWBPCGLQGLJFP-UHFFFAOYSA-N
rxn:4:222144:224765,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(F)(F)F)ccc2N2CCCC2)cc1,DICWNDNLULGCPM-UHFFFAOYSA-N
rxn:4:222144:225273,CCCOc1cc(C(F)(F)F)ccc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,FAELDHNPXYCMCY-UHFFFAOYSA-N
rxn:4:222362:222452,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)c(NC(=O)OCc7ccccc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,MRNVUQMZBIFSRB-UHFFFAOYSA-N
rxn:4:222362:222462,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc7nc(NC(=O)OC(C)(C)C)sc7c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,PMNPILXRFXBKAE-UHFFFAOYSA-N
rxn:4:222362:223534,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(OC7CCN(C(=O)OC(C)(C)C)CC7)ncc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,LYDIESCWYVVLRA-UHFFFAOYSA-N
rxn:4:222362:223736,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCc7ccccc7)c(C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,BZJRULNCDMJSJN-UHFFFAOYSA-N
rxn:4:222362:223891,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)ccc7c6ccn7[Si](C)(C)C(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,OYEFAMSHBBJOSW-UHFFFAOYSA-N
rxn:4:222362:223997,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C)c1S(=O)(=O)N1CCOCC1,WHPUJWAGMAXYHN-UHFFFAOYSA-N
rxn:4:222362:223998,CC1CCN(S(=O)(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)CC1,HZTZAWDBFSPMIW-UHFFFAOYSA-N
rxn:4:222362:224035,CCCC[C@H]1CC[C@H](c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)CC1,FHHLRQRSPUHUQX-OZIXAUCHSA-N
rxn:4:222362:224303,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(O[Si](C)(C)C(C)(C)C)c(F)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,LIYOQEMETLZVNK-UHFFFAOYSA-N
rxn:4:222363:222482,Cc1ccc(NC(=O)c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2F)c(C)c1,GXQADGXDDZRMQW-UHFFFAOYSA-N
rxn:4:222363:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c(C)c1,XDHYRLBEJZPVMM-UHFFFAOYSA-N
rxn:4:222363:222704,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCNCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SAYFCEMLUDIYFX-UHFFFAOYSA-N
rxn:4:222363:222783,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GQITWYJRFJODOB-UHFFFAOYSA-N
rxn:4:222363:223009,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(C5CCNCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZHOAPEQSBXBYCX-UHFFFAOYSA-N
rxn:4:222363:223067,CC(=O)Nc1nc2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2s1,QWQKHICXFARKAY-UHFFFAOYSA-N
rxn:4:222363:223640,CCOC12C(=O)c3cc(F)cc(-c4cnc5nc(-c6ccc(N7CCN(C)CC7)cc6)[nH]c5c4N4CCN(Cc5cc(C)on5)CC4)c3C(=O)C1C2(C)C,BEQZIEMEXVSXLS-UHFFFAOYSA-N
rxn:4:222363:224227,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OCc5ccccc5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CNGCFBUSBVRHMM-UHFFFAOYSA-N
rxn:4:222363:224306,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4OC4CCCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OXCVFWHPWICXDV-UHFFFAOYSA-N
rxn:4:222363:224842,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)C(C)(C)CCC5(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SAEOXGDVLFYHSO-UHFFFAOYSA-N
rxn:4:222363:225821,Cc1cc(CN2CCN(c3c(-c4ccc(C5CC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BWFBUWRWAIJILG-UHFFFAOYSA-N
rxn:4:212846:222730,CCCc1cc(-c2ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc2)cc(C2CCNCC2)n1,AMGPTPPFIXBKOL-UHFFFAOYSA-N
rxn:4:213450:222389,Cc1nc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,FNELQHJURPTBEM-UHFFFAOYSA-N
rxn:4:221252:223841,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1,DZPPVRYWCHNHRH-UHFFFAOYSA-N
rxn:4:221776:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,DXFZHSVUQMYOBU-UHFFFAOYSA-N
rxn:4:221794:222622,CCC(C)c1cc(-c2ccc3nc(SCc4cc(=O)n5cc(Cl)ccc5n4)n4c5ccccc5nc4c3c2)cc(C2CCCNC2)n1,PAHIVCOOAFVSKN-UHFFFAOYSA-N
rxn:4:221986:223597,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(Cl)c3)cc2)CC1,VLPFTGHQDJGIDP-UHFFFAOYSA-N
rxn:4:221988:222423,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OC)nnc12,CVKYADFEOSUUSE-UHFFFAOYSA-N
rxn:4:221995:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IVYVGHOEVJRETN-UHFFFAOYSA-N
rxn:4:222110:222423,CC#CCn1c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,HAKUKRQPQYIVBO-UHFFFAOYSA-N
rxn:4:222132:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,BKSARWOOIGPXLI-UHFFFAOYSA-N
rxn:4:222142:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)CC1,HMPXUIJSFAEXNZ-UHFFFAOYSA-N
rxn:4:222195:222628,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c2)CC1,KLMZUAIVFKXILC-UHFFFAOYSA-N
rxn:4:222199:222423,COc1c(-c2ccc(-c3nnc4n(Cc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,UDEDWTRVTDDVOA-UHFFFAOYSA-N
rxn:4:222362:222477,Cc1ccc(CNC(=O)c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2F)cc1,XTVGQPGDPMIUOO-UHFFFAOYSA-N
rxn:4:222362:222492,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(NC(=O)OCc7ccccc7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,AFBFVOMEFUQZNB-UHFFFAOYSA-N
rxn:4:222362:222498,Cc1ccc(S(=O)(=O)NCc2ccccc2)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,QBMPJERJZFEPNH-UHFFFAOYSA-N
rxn:4:222362:223502,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,NFUCFSPIMUMREF-UHFFFAOYSA-N
rxn:4:222362:223533,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,ZXRROQLQGPQCQR-UHFFFAOYSA-N
rxn:4:222362:223588,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cnc1N1CCN(C(=O)OC(C)(C)C)CC1,WKZSECRPGCRUHP-UHFFFAOYSA-N
rxn:4:222362:223598,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,DVEKDMFUXVNTJC-UHFFFAOYSA-N
rxn:4:222362:223824,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(F)(F)F)cnc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,SLGUMCQDTHPHRB-UHFFFAOYSA-N
rxn:4:222362:224441,CCOc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,QYJAHBPXXKORBC-UHFFFAOYSA-N
rxn:4:222362:225274,COCCOc1c(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C)c1F,TVGABLCEMXLQOG-UHFFFAOYSA-N
rxn:4:222362:226778,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(F)c(F)c1OC,BSCVQSUFCQOMJP-UHFFFAOYSA-N
rxn:4:222363:222803,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DWPBERNCYXLCLZ-UHFFFAOYSA-N
rxn:4:222363:223962,Cc1cc(CN2CCN(c3c(-c4c(F)ccc(OCc5ccccc5F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KPKRERSEIMOBRD-UHFFFAOYSA-N
rxn:4:222363:224163,Cc1cc(CN2CCN(c3c(-c4ccc5c(cnn5C5CCCCO5)c4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZKZNQHKTDWCAJP-UHFFFAOYSA-N
rxn:4:222363:224301,Cc1cc(CN2CCN(c3c(-c4cc(O[Si](C)(C)C(C)(C)C)cc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BNQYOJUWRZTGTI-UHFFFAOYSA-N
rxn:4:222363:224572,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCC(C)C5)cc4C#N)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PLAXAECKUAXLJN-UHFFFAOYSA-N
rxn:4:222363:225127,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)c(OCC(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZBBMTUGDAURIDK-UHFFFAOYSA-N
rxn:4:222363:226440,Cc1cc(CN2CCN(c3c(-c4cc(F)nc(C5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SDGPOYVHFMDZAE-UHFFFAOYSA-N
rxn:4:213451:222389,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HOTCQYWIDDGTNI-UHFFFAOYSA-N
rxn:4:216352:222389,Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc23)cc1,NYIUWIPXVOZSEI-UHFFFAOYSA-N
rxn:4:218755:222423,COc1c(-c2cc3c(s2)c(=O)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n3CC#N)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BQNOPVMGVLFEQT-UHFFFAOYSA-N
rxn:4:218785:222423,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc1-2,QUDRRSWEWIAEQZ-UHFFFAOYSA-N
rxn:4:219188:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(-c2ccccc2)nn2cc(CCN3CCOCC3)c(-c3ccc(F)cc3)nc12,WPSZFKQNWTUWCW-UHFFFAOYSA-N
rxn:4:219590:222423,CC=CCn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2CC(C)=O)n(C)c1=O,BEBWWRXUWDXDEA-UHFFFAOYSA-N
rxn:4:219746:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cccc(C)c3)c(=O)n2C)n1Cc1ccccc1Cl,CRIMMPGXHIVZEL-UHFFFAOYSA-N
rxn:4:219764:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(Cl)cc2c(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(F)nc2c1F,GNTQNYDLKJZGPS-UHFFFAOYSA-N
rxn:4:220239:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c2c(nn1Cc1ccccc1)C(=O)N([C@H]1COc3ccccc3N(C)C1=O)CC2,UIJBWJJBIZKTGP-DHUJRADRSA-N
rxn:4:221219:222423,COc1cc2ncnc(N3CC(Cn4cc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cn4)C3)c2cc1OC,KBLADJDEVSBJIN-UHFFFAOYSA-N
rxn:4:221539:223828,CCN1CCN(c2cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc(C(F)(F)F)c2)CC1,QVGQVCSIPWEFBT-UHFFFAOYSA-N
rxn:4:221562:222389,Cn1c(=O)c2c(nc3n2CCN3c2cccc(OCc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c2)n(C)c1=O,HUAOIGCVHYCZKN-UHFFFAOYSA-N
rxn:4:221772:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,PPPFZFIDYRVHME-UHFFFAOYSA-N
rxn:4:221986:222628,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)CC1,OCPCWUKWRHEHNP-UHFFFAOYSA-N
rxn:4:222136:222423,CCN1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)nnn3c3ccccc23)CC1,HNPGWJNCZVEKFA-UHFFFAOYSA-N
rxn:4:222137:223684,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)cc1,VGBXMJCKCWNVNH-UHFFFAOYSA-N
rxn:4:222138:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)CC1,SSOHJLYOWADBPM-UHFFFAOYSA-N
rxn:4:222202:222423,COc1c(-c2ccc(-n3c(-c4cccc([N+](=O)[O-])c4)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YDLSHGCPAYAILS-UHFFFAOYSA-N
rxn:4:222362:222482,Cc1ccc(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)c(C)c1,CDJTZPWXKBDNDI-UHFFFAOYSA-N
rxn:4:222362:222603,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(Cl)cc1NC(=O)OC(C)(C)C,UIERWPAQSOQDCB-UHFFFAOYSA-N
rxn:4:222362:223577,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ZAGHLVHSHRVMGH-UHFFFAOYSA-N
rxn:4:222362:223735,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCc6ccc(C(C)(C)C)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ZQTCCQXCVCMTIV-UHFFFAOYSA-N
rxn:4:222362:223746,COC(=O)c1ccc(C#Cc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,MYEFJYNUXUKFEB-UHFFFAOYSA-N
rxn:4:222362:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,QHNQABRZCRKIDW-UHFFFAOYSA-N
rxn:4:222362:224573,CC1CCCCN1c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C#N)c1,HVWDMWXEWINSMT-UHFFFAOYSA-N
rxn:4:222362:224588,CC1CCN(Cc2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,VFENHDNPPIMLRO-UHFFFAOYSA-N
rxn:4:222362:224595,COc1cc(N2CCCC(C)C2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,FNVFIJGIBVZHMM-UHFFFAOYSA-N
rxn:4:222363:222429,Cc1cc(CN2CCN(c3c(-c4ccc(CNC(=O)c5ccc(F)cc5C(F)(F)F)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WCRZHXRYYYAINK-UHFFFAOYSA-N
rxn:4:222363:223504,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c([N+](=O)[O-])c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HMLLTOBNDPZJKA-UHFFFAOYSA-N
rxn:4:222363:223591,Cc1cc(CN2CCN(c3c(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WIYVGBRLRYWUQG-UHFFFAOYSA-N
rxn:4:222363:223625,Cc1cc(CN2CCN(c3c(-c4ccc(COc5ccc(C(C)(C)C)cc5C)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BELRMKDXDHCACZ-UHFFFAOYSA-N
rxn:4:222363:223748,Cc1cc(CN2CCN(c3c(-c4cc(N5CCCCC5)cc(N5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DJWPSDNLHOMBEA-UHFFFAOYSA-N
rxn:4:222363:223801,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LRZAGDKPDNVSRW-UHFFFAOYSA-N
rxn:4:222363:224206,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4ccc(F)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IGKRNWGEFWQQNF-UHFFFAOYSA-N
rxn:4:222363:224395,Cc1cc(CN2CCN(c3c(-c4cc(N5CCOCC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AXMVXQPUKHFZAQ-UHFFFAOYSA-N
rxn:4:222363:226737,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(C#N)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NPUZTMUJKCKKMC-UHFFFAOYSA-N
rxn:4:215188:222423,COc1c(-c2ccc(N3C(=O)N(c4ccc([N+](=O)[O-])cc4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JYHSIBPWWMPYGT-UHFFFAOYSA-N
rxn:4:219088:222423,CCCCn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2CC(C)=O)n(C)c1=O,NARWCNFWVYHKBG-UHFFFAOYSA-N
rxn:4:219146:222423,COc1c(-c2ccc(-n3ccn4c(SCC(=O)c5ccc(C)cc5C)nnc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JUNQCEDVYUCSRR-UHFFFAOYSA-N
rxn:4:219206:222423,COc1cc2ncc3c(-c4cccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2cc1OC,BXFOZERGSBEBGA-UHFFFAOYSA-N
rxn:4:219751:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)nc(F)nc2c1F,CRXBYRGIPFJKJH-IBGZPJMESA-N
rxn:4:221485:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)n(S(=O)(=O)c2ncn(S(=O)(=O)N(C)C)n2)c2cc(F)ccc12,OIIUQFZTSHVXIX-UHFFFAOYSA-N
rxn:4:221545:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCO)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZSQHCJOBCLKALX-UHFFFAOYSA-N
rxn:4:221772:223570,CC1CN(c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,NYYMVYZVYDRZQC-UHFFFAOYSA-N
rxn:4:221777:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,KTMURLAEQNMXEB-UHFFFAOYSA-N
rxn:4:221793:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,YHFHXSFZDYULNK-UHFFFAOYSA-N
rxn:4:221928:222423,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OC)nnc12,PDFCGCRPSSHONK-UHFFFAOYSA-N
rxn:4:221929:222701,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(C6CCCNC6)cc(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,YELHOLXPWZHNAJ-UHFFFAOYSA-N
rxn:4:221980:222423,COc1c(-c2cncc(-c3nn4c(=O)cc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4s3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZNIXSXHSJVJISD-UHFFFAOYSA-N
rxn:4:222134:223728,CCCCCC1CCC(c2ccc(-c3ccc(Cn4c5c(=O)n(C)c(=O)n(C)c5n5c(-c6ccc(OC)cc6)nnc45)cc3)c(F)c2)CC1,JFTNYUGUXKLCBQ-UHFFFAOYSA-N
rxn:4:222200:222423,COc1c(-c2ccc(-c3nnc4n(Cc5ccccc5F)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SEXNEZZUXYGBAX-UHFFFAOYSA-N
rxn:4:222231:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1nnc2n(C)c3c(=O)n(C)c(=O)n(C)c3n12,MGQYFGRNZYZQQX-UHFFFAOYSA-N
rxn:4:222362:222433,Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,NADDTVLPLHXLIS-UHFFFAOYSA-N
rxn:4:222362:222623,CCC(C)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCNCC2)n1,SQHVQMNFVRYDOW-UHFFFAOYSA-N
rxn:4:222362:222717,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(S(=O)(=O)NC(C)(C)C)cc1F,XGPOSFZRCUSLCS-UHFFFAOYSA-N
rxn:4:222362:223525,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OEFZQBKVHWKKMZ-UHFFFAOYSA-N
rxn:4:222362:223531,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OVMPCGHNIDDMPY-UHFFFAOYSA-N
rxn:4:222362:223608,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC(F)(F)F)c(S(=O)(=O)N7CCOCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,BIAXRYILRLBRSS-UHFFFAOYSA-N
rxn:4:222362:224143,COc1cccc(OC)c1-c1ccccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,WREHBRMAWDFMLO-UHFFFAOYSA-N
rxn:4:222362:224670,CN1CCN(Cc2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,VWALOXJUGMYMGN-UHFFFAOYSA-N
rxn:4:222362:225365,CC(C)Oc1c(F)c(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(F)c1F,ZTQQJFMCALJYBD-UHFFFAOYSA-N
rxn:4:222362:226344,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C2CC2)cc1Cl,CLOURBWUTINIPT-UHFFFAOYSA-N
rxn:4:222363:222443,COc1ccc(CNC(=O)c2cc(F)cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)cc1,WSLSVDFJUFGBPA-UHFFFAOYSA-N
rxn:4:222363:222486,Cc1cc(CN2CCN(c3c(-c4cncc(-c5cncc(C6CCCCN6)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YXPCHAOKVFCQIU-UHFFFAOYSA-N
rxn:4:222363:223595,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XBLNFZRQQPMUJM-UHFFFAOYSA-N
rxn:4:222363:223671,Cc1cc(CN2CCN(c3c(-c4ccnc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XINQIMJHBHTRSG-UHFFFAOYSA-N
rxn:4:222363:223949,Cc1cc(CN2CCN(c3c(-c4cnc(N(C)C)nc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RSFAQQGZMDORJC-UHFFFAOYSA-N
rxn:4:222363:224038,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)C(C)(C)c4cc(Cl)ccc4-5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ILMQAXCHSWQGHE-UHFFFAOYSA-N
rxn:4:222363:224214,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4ccc(Cl)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DPHOGJJRYZVNKB-UHFFFAOYSA-N
rxn:4:222363:224577,Cc1cn(-c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc(C3CC3)c2)cn1,MGYJURCKIFSNED-UHFFFAOYSA-N
rxn:4:184241:222389,CC(C)OCCCN1C(=O)c2oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3c(=O)c2C1c1ccc(F)cc1,LPTRGJRTHQTWKB-UHFFFAOYSA-N
rxn:4:212750:222423,COc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ORIWWPWLLCIKEY-UHFFFAOYSA-N
rxn:4:214321:222423,COc1c(-c2ccc3c(c2)ncn3C2CCCN(C(=O)OC(C)(C)C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VGTNKIODYDEZJI-UHFFFAOYSA-N
rxn:4:215272:222389,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nnc(C)s1)C3c1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,KXUHFLPURHQCMI-UHFFFAOYSA-N
rxn:4:215780:222423,COc1c(-c2cnc(N3CCC(F)(F)CC3)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YJZZZFGGZQBRKY-UHFFFAOYSA-N
rxn:4:219105:222423,COc1c(-c2ccc(-n3ccn4c(SCc5cccc(C(F)(F)F)c5)nnc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WMDZVKDKDJEECQ-UHFFFAOYSA-N
rxn:4:219209:222423,COc1c(-c2ccc3c(c2)c2nc4ccccc4nc2n3CC(=O)N(c2ccccc2)C(C)C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FYIUTOWLMPHPBS-UHFFFAOYSA-N
rxn:4:219747:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)n1Cc1ccccc1Cl,GDZBBYYDZUAEIH-UHFFFAOYSA-N
rxn:4:221124:222423,COCCCn1c(C)cn2c3c(=O)n(Cc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(=O)n(C)c3nc12,UQAQVPQAJFUKME-UHFFFAOYSA-N
rxn:4:221572:223845,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)n(C)c1=O,BSXDECXDHNZZDB-UHFFFAOYSA-N
rxn:4:221928:222462,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)ccc3OC)nnc12,AEBLXVXPTYJCCN-UHFFFAOYSA-N
rxn:4:221990:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,CARYTFMIVBFIPO-UHFFFAOYSA-N
rxn:4:222131:222423,COc1c(-c2ccc(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MSISEBRNURSONA-UHFFFAOYSA-N
rxn:4:222132:223841,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,HFKLJJQOZRYNTQ-UHFFFAOYSA-N
rxn:4:222137:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1,XORZXUPGFYDLJL-UHFFFAOYSA-N
rxn:4:222246:222423,CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5cccc(-c6cccc(-c7nc8ccc9[nH]ncc9c8c8c7CCC8)c6OC)c5)no4)cnc32)cc1,KEOQMNWRJQBXMQ-UHFFFAOYSA-N
rxn:4:222362:222465,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCCCC7)nc(C7CCCNC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,UTXQJXFNRHWDIL-UHFFFAOYSA-N
rxn:4:222362:222647,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C)cc1NC(=O)OC(C)(C)C,JFAPQLKFRWHNGC-UHFFFAOYSA-N
rxn:4:222362:223567,CC(C)Oc1ccc2c(c1)cc(-c1cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c1)n2C(=O)OC(C)(C)C,XBFVGLVBWUJCSH-UHFFFAOYSA-N
rxn:4:222362:223576,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(OC7CCN(C(=O)OC(C)(C)C)CC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PRWKQYDMGBYRIE-UHFFFAOYSA-N
rxn:4:222362:223731,Cc1ccc(C(C)C)c(OCc2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c1,HUILMQCMHKOGMK-UHFFFAOYSA-N
rxn:4:222362:223774,COc1cccc2c1cc(-c1cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c1)n2C(=O)OC(C)(C)C,AMFVFFQAUPEEET-UHFFFAOYSA-N
rxn:4:222362:223879,CCCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2F)cc1,LBQMIPRGGZSCQG-UHFFFAOYSA-N
rxn:4:222362:224126,CCN1CCN(C(C)c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,QAYDTTDCVUQFSO-UHFFFAOYSA-N
rxn:4:222362:224163,Cc1c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc2c1cnn2C1CCCCO1,CTMOIUVLCNGUSA-UHFFFAOYSA-N
rxn:4:222362:224369,CCN(CC)S(=O)(=O)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(F)cc1C,KUOFNDSKEGIQIM-UHFFFAOYSA-N
rxn:4:222363:222520,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JJRPSLSFCHWXPR-UHFFFAOYSA-N
rxn:4:222363:222603,COc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(Cl)cc1NC(=O)OC(C)(C)C,VJZKKGCYZKCKDF-UHFFFAOYSA-N
rxn:4:222363:223490,Cc1cc(CN2CCN(c3c(-c4ccc(C)c(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IQLBFMZUHHENPC-UHFFFAOYSA-N
rxn:4:222363:223501,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XQYQLSFLNZCHBK-UHFFFAOYSA-N
rxn:4:222363:223567,Cc1cc(CN2CCN(c3c(-c4cc5cc(OC(C)C)ccc5n4C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GHKWTKAFEHQGNK-UHFFFAOYSA-N
rxn:4:222363:223877,Cc1cc(CN2CCN(c3c(-c4cc(C)c(OCc5cccc(Cl)c5)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LSXGWKAKEIBZDX-UHFFFAOYSA-N
rxn:4:222363:224089,Cc1cc(CN2CCN(c3c(-c4ccc(OCCN5CCC(C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HXELQCVRVOUVLH-UHFFFAOYSA-N
rxn:4:222363:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c1,ISGQENSJHPTURG-UHFFFAOYSA-N
rxn:4:222363:224792,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)cnc4SCC(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HQTLSSVSELISCX-UHFFFAOYSA-N
rxn:4:222367:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(N4CCN(c5ncnc6c5ncn6CC5CCCO5)CC4)nc3)c(F)c2s1,SSQVFCIYBOZNDD-UHFFFAOYSA-N
rxn:4:212749:222580,CC1CN(Cc2ccc(-c3ccc(S(=O)(=O)NC4CC4)c4ccccc34)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,CSQWYJSGKJJBNI-UHFFFAOYSA-N
rxn:4:212839:222598,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C)c(S(=O)(=O)NC5CCCC5)c(C)c4)ccn23)CC1,UWKGCNIYAWPOJW-UHFFFAOYSA-N
rxn:4:213450:222891,COc1cc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)cc(C2CCNCC2)n1,SRNZKBBHQLXSHQ-UHFFFAOYSA-N
rxn:4:214386:222389,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)cccc5c4C3)n(C)c2c1,HSXIKWJTBIBFFP-UHFFFAOYSA-N
rxn:4:218765:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(C(=O)CSc3nc4c(c(=O)n(Cc5ccccc5)c(=O)n4C)n3C)cc2)CC1,RUELCCAALNJZBB-UHFFFAOYSA-N
rxn:4:219553:222423,COc1c(-c2ccc(Cl)c(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GIZJDMGQYVCSJP-UHFFFAOYSA-N
rxn:4:219662:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)n1C(C)C(C)=O,FDRLNIADWYLVQA-UHFFFAOYSA-N
rxn:4:220150:222423,COc1c(-c2ccc3c(N4CC(C(=O)N5CCSCC5)CC4=O)[nH]nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HXDQTIMUCIKTTC-UHFFFAOYSA-N
rxn:4:221910:222630,CN(C)/C=N/c1nc(-c2ccc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)cc2)c(C#N)c(C#N)c1C#N,IEUFIMZXKOTDRQ-ODNPBWNPSA-N
rxn:4:221928:222389,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3OC)nnc12,BMEOFFYRJXYXKI-UHFFFAOYSA-N
rxn:4:221929:222462,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,CWDFSFLWTFAHPL-UHFFFAOYSA-N
rxn:4:221987:222423,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OC)nnc12,QKXANLCXLHOQGY-UHFFFAOYSA-N
rxn:4:221995:222465,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,WRIFLVXTVODWQB-UHFFFAOYSA-N
rxn:4:222195:222537,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)c2)CC1,YIGGMJPSZBWWDN-UHFFFAOYSA-N
rxn:4:222195:222538,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)c2)CC1,XLDSWQTZUJQCQF-UHFFFAOYSA-N
rxn:4:222362:222620,COc1ccc(CNc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,WFLHMRAVCKPPNC-UHFFFAOYSA-N
rxn:4:222362:222675,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1NC(=O)OC(C)(C)C,LQXQNJLPYMUPSL-UHFFFAOYSA-N
rxn:4:222362:223482,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC(F)(F)F)c(S(=O)(=O)N7CCC8(CC7)OCCO8)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PRFKSFZSOSJYSJ-UHFFFAOYSA-N
rxn:4:222362:223551,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc(OCc8ccccc8)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,YNEBCWMCCCXLJR-UHFFFAOYSA-N
rxn:4:222362:223652,COc1ccc(Cl)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)n(C(=O)OC(C)(C)C)c12,VKFUTGGTSPBYTB-UHFFFAOYSA-N
rxn:4:222362:223826,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Oc7ccc(OC(F)(F)F)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,VJAKLPRSTDAOKV-UHFFFAOYSA-N
rxn:4:222362:223959,CCN1CCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2Cl)CC1,MZSGFFYBPKQDDW-UHFFFAOYSA-N
rxn:4:222362:224399,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(N7CCOCC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,VQGMKRPIKXTAOL-UHFFFAOYSA-N
rxn:4:222362:225148,COc1cc(-n2cc(C)cn2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ZXLZJLWLUCKDKL-UHFFFAOYSA-N
rxn:4:222362:227158,Cc1c2c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cccc2nn1C,YNDFUNUVIRIKAU-UHFFFAOYSA-N
rxn:4:222362:228108,CCc1ncc(C#N)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,WHZRXZHYLQVRPX-UHFFFAOYSA-N
rxn:4:222363:222484,Cc1ccc(NC(=O)c2cc(F)cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c(C)c1,AJLXMIPKNJDRKM-UHFFFAOYSA-N
rxn:4:222363:222998,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MGTXJSBSBJLCSK-UHFFFAOYSA-N
rxn:4:222363:223776,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)CCO5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RPKCOBOPOXJNBZ-UHFFFAOYSA-N
rxn:4:222363:224352,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCCOC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DGEMKYBFZHRNIF-UHFFFAOYSA-N
rxn:4:222363:224604,Cc1cc(CN2CCN(c3c(-c4cc5nc(C)n(C(C)(C)C)c5cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SNHCFBDKXJZRND-UHFFFAOYSA-N
rxn:4:222363:224765,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ccc4N4CCCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FHGIZFWZYCETKF-UHFFFAOYSA-N
rxn:4:222363:224781,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCCO5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UNKUVCLLKXFJHD-UHFFFAOYSA-N
rxn:4:222363:225035,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OC4CCCCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AGMVLWREDGYPCK-UHFFFAOYSA-N
rxn:4:222363:225197,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OC5CCCC5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KOVSVSIUWLGBDT-UHFFFAOYSA-N
rxn:4:222363:226830,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)c(Cl)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NOZOEBLTEVKQKJ-UHFFFAOYSA-N
rxn:4:222363:227453,Cc1cc(CN2CCN(c3c(-c4ccc(-c5ccc(C)s5)s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GWFZRIIIAHPQNJ-UHFFFAOYSA-N
rxn:4:212832:224155,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cc(C4CC4)cc(N4CCN(C)CC4)c3)cc1)SCC2,MKUCJYHXKPAIEC-UHFFFAOYSA-N
rxn:4:219121:222423,COc1c(-c2ccc(-n3c(C)cc(C(=O)CSc4nnc5ccccn45)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XFPAQKZSQPUGJB-UHFFFAOYSA-N
rxn:4:219179:222423,COc1ccc(-c2nc(SCc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1,QSNOKBDSXMJRJQ-UHFFFAOYSA-N
rxn:4:219709:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cccc4ccccc34)c(=O)n2C)n1CC(C)=O,PSTRWSVKXNPJKF-UHFFFAOYSA-N
rxn:4:221538:223845,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,KSIXZQCYUPPMND-UHFFFAOYSA-N
rxn:4:221776:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1,NYJDPROCAMCHSS-UHFFFAOYSA-N
rxn:4:221929:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,PCFGYDPVANLFAO-UHFFFAOYSA-N
rxn:4:221995:222462,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,HUZWHTBPUYAZIX-UHFFFAOYSA-N
rxn:4:221995:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,ROOCIKNNNBMZDU-UHFFFAOYSA-N
rxn:4:222144:225245,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cncc(-c3ccc(F)cc3F)c2)cc1,RNSXUMZDYSPPGZ-UHFFFAOYSA-N
rxn:4:222297:222423,CCn1nnc2c(N3CCN(C(=O)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)o4)CC3)ncnc21,GQDRLXYZMMXJFX-UHFFFAOYSA-N
rxn:4:222362:222429,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CNC(=O)c7ccc(F)cc7C(F)(F)F)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,LSWYDIREPMFFMO-UHFFFAOYSA-N
rxn:4:222362:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c(C)c1,KVCYVOVJVBWHIL-UHFFFAOYSA-N
rxn:4:222362:222490,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(NC(=O)OCc7ccccc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,FEPCWKILRVPYSN-UHFFFAOYSA-N
rxn:4:222362:222679,COc1ccc(NC(=O)OC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LADDBWNAXWPSQZ-UHFFFAOYSA-N
rxn:4:222362:223638,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C7CCCN(C(=O)OC(C)(C)C)C7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,LFVZRDDOUDKBSG-UHFFFAOYSA-N
rxn:4:222362:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,WBJXXOVIULCVTC-UHFFFAOYSA-N
rxn:4:222362:223805,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCc6ccc(C(F)(F)F)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,MWBGHYVLECUCFD-UHFFFAOYSA-N
rxn:4:222362:223862,CCCCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)cc1,NDUBEFPNWHAXKN-UHFFFAOYSA-N
rxn:4:222362:223951,CN1CCN(CCOc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)CC1,RMDLAYGZYHUEHW-UHFFFAOYSA-N
rxn:4:222362:224323,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C)c1S(=O)(=O)N1CCCC1,PZPGTUKEMNXKCU-UHFFFAOYSA-N
rxn:4:222362:224665,CN1CCN(Cc2cc(F)ccc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,BYJRFYWJCABGLD-UHFFFAOYSA-N
rxn:4:222363:223482,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SZBIAGXJMKWOTI-UHFFFAOYSA-N
rxn:4:222363:223649,Cc1cc(CN2CCN(c3c(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZEVNUXBUPQAKRR-UHFFFAOYSA-N
rxn:4:222363:223667,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)cc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WSIVHJOHXZUUJZ-UHFFFAOYSA-N
rxn:4:222363:223959,CCN1CCN(C(=O)c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)ccc2Cl)CC1,COEAOONRGIUGFK-UHFFFAOYSA-N
rxn:4:222363:224114,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CDCDHWGZSLKQKX-UHFFFAOYSA-N
rxn:4:222363:224236,Cc1cc(CN2CCN(c3c(-c4ccccc4OCc4cccc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LPSCHGKWXBGYTO-UHFFFAOYSA-N
rxn:4:222363:224354,Cc1cc(CN2CCN(c3c(-c4cc(F)c(Oc5cccc(F)c5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XLSMPHRJHIXNEQ-UHFFFAOYSA-N
rxn:4:222363:225111,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)c1OCC(C)C,LLQFHJZMVUXDMP-UHFFFAOYSA-N
rxn:4:222363:225530,CCN(CC)Cc1ccc(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,VMKXKJBQVHVSTE-UHFFFAOYSA-N
rxn:4:222363:227797,Cc1cc(CN2CCN(c3c(-c4cc(Cl)c(F)cc4[N+](=O)[O-])cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BYKWMNKNYNMGPX-UHFFFAOYSA-N
rxn:4:222363:228607,CCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)ccc1Cl,YXQKFIKWMKROBK-UHFFFAOYSA-N
rxn:4:222387:222423,COc1c(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MDDCOSUVMSCLII-UHFFFAOYSA-N
rxn:4:213425:222389,O=C(CCn1ccc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc21)N1CCC(c2noc3cc(F)ccc23)CC1,RAHJMUZCZBTWRZ-UHFFFAOYSA-N
rxn:4:213451:222927,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(N6CCCCC6O)nc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,IGBOURWTZZERDP-UHFFFAOYSA-N
rxn:4:218700:222423,CCN1CCN(CC(=O)N2N=C(c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)CC2c2ccc(F)cc2)C(=O)C1=O,UDXOKVSQMDGJTG-UHFFFAOYSA-N
rxn:4:219181:222423,COc1c(-c2ccc(CSc3nc(CC(C)(C)C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RTLHKVQOBMCFAQ-UHFFFAOYSA-N
rxn:4:219205:222462,COc1ccc(CCC(=O)N2CCc3c(cnc4cc(C)nn34)C2)cc1-c1c(F)cc2nc(NC(=O)OC(C)(C)C)sc2c1F,GZBOSVMXTGTTJG-UHFFFAOYSA-N
rxn:4:219656:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccccc3C)c(=O)n2C)n1CC(C)=O,DJHYJDXUUWSOMQ-UHFFFAOYSA-N
rxn:4:219746:222628,Cc1cccc(Cn2c(=O)c3c(nc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)c1,QLDPQCZZIKAPPN-UHFFFAOYSA-N
rxn:4:219747:222389,Cc1ccc(Cn2c(=O)c3c(nc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)cc1,RTAFNMDFVZESNA-UHFFFAOYSA-N
rxn:4:221256:222423,COc1c(-c2ccc(S(=O)(=O)c3nnn4c3nc(N(C)Cc3ccccc3)c3sccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DBHAESULOQSKEZ-UHFFFAOYSA-N
rxn:4:221411:222423,COc1c(-c2cncc(C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IKKRJFSLOHHDJY-UHFFFAOYSA-N
rxn:4:221754:223845,Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,DRYVKVFBEKQYIF-UHFFFAOYSA-N
rxn:4:221766:223698,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)c(=O)n2C)cc1,GHHUBTGIOWOMMK-UHFFFAOYSA-N
rxn:4:221778:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,DGBUFVXLNXHWGF-UHFFFAOYSA-N
rxn:4:221929:222461,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)cc(F)c6sc(NC(=O)OC(C)(C)C)nc56)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,QJCXPXCODXVFFH-UHFFFAOYSA-N
rxn:4:221985:222423,COc1c(-c2cc3c(cn2)nc(-c2cnn(C)c2)n3[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DCDPICOTAQBYEM-XMMPIXPASA-N
rxn:4:222128:222423,COCCn1c2c(O)nc(=O)n(C)c2n2c(-c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)nnc12,JSTWUIUAHMRJAT-UHFFFAOYSA-N
rxn:4:222138:223604,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1,YIOXIHRUTDRPTM-UHFFFAOYSA-N
rxn:4:222144:225291,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(C(F)(F)F)cc2OC(C)C)cc1,TZVSBQLAVLTWNS-UHFFFAOYSA-N
rxn:4:222362:223493,Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,VSGZPPGFGGOJTP-UHFFFAOYSA-N
rxn:4:222362:223605,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Oc7ccc(C(F)(F)F)cc7[N+](=O)[O-])cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ADCFUWHSRQGHFA-UHFFFAOYSA-N
rxn:4:222362:223624,Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,GBCSVUHOTBUOAS-UHFFFAOYSA-N
rxn:4:222362:223693,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(O[Si](C)(C)C(C)(C)C)cc(C(F)(F)F)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,JBEIOSBEPGKHEV-UHFFFAOYSA-N
rxn:4:222362:224561,Cc1c(O[Si](C)(C)C(C)(C)C)cccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,OUJMGSSAGQYTQU-UHFFFAOYSA-N
rxn:4:222362:226599,CCOc1c(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C)c1F,DDRIGEMCGIAEFD-UHFFFAOYSA-N
rxn:4:222363:222822,Cc1cc(CN2CCN(c3c(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DMTATTJMOOJOEI-UHFFFAOYSA-N
rxn:4:222363:222952,Cc1cc(CN2CCN(c3c(-c4cccc(NC(=O)C(F)(F)F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XISSNBMDUBZTJA-UHFFFAOYSA-N
rxn:4:222363:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2C)CC1,GMZQQIQMAYAWIV-UHFFFAOYSA-N
rxn:4:222363:223922,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N(C)C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QQJJCEMEAXZQSL-UHFFFAOYSA-N
rxn:4:222363:224417,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WILVCDWSPLKTQQ-UHFFFAOYSA-N
rxn:4:222363:225050,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUCOUAQIXTXRNZ-UHFFFAOYSA-N
rxn:4:222363:225872,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)c(N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NNDRRVXVMOFTGZ-UHFFFAOYSA-N
rxn:4:222363:226024,Cc1cc(CN2CCN(c3c(-c4cccc(OCC(F)(F)F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SSNBSZBZXGAHCJ-UHFFFAOYSA-N
rxn:4:222363:226036,COc1c(F)cc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,ZRXIGAKPAJPOAA-UHFFFAOYSA-N
rxn:4:222363:226754,CCOc1c(F)cc(F)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1F,RYFRYBYKZPDTKH-UHFFFAOYSA-N
rxn:4:222363:228949,Cc1cc(CN2CCN(c3c(-c4c(F)cc(F)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UPBNXRUYLLEPAY-UHFFFAOYSA-N
rxn:4:202808:222389,COc1cccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC,VLSUZQPQXXGYPH-UHFFFAOYSA-N
rxn:4:202809:222628,COc1ccc(C2c3c(oc4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC,KXBYWYUSARRJHN-UHFFFAOYSA-N
rxn:4:212744:222630,CC(C)(C)OC(=O)N1CCN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c2)CC1,RGAZCAQCOGXHDU-UHFFFAOYSA-N
rxn:4:218677:222389,CCOc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)o4)CC3)nn2)cc1,JMYLYHXTAXXYFY-UHFFFAOYSA-N
rxn:4:218724:222423,CCOC(=O)Cn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2Cc2ccc(Cl)cc2)n(C)c1=O,XOHDKECDIXTAIA-UHFFFAOYSA-N
rxn:4:218774:223845,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCN(C)CC6)ccc5OC)oc4C)ccn3n2)cc1,OSTDBUWVCKNLCD-UHFFFAOYSA-N
rxn:4:221201:222423,COc1c(-c2ccc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FCWBMCSPKYHRMJ-XMMPIXPASA-N
rxn:4:221271:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(-n3c(-c4ccccc4)cn4c5c(=O)n(CCCO)c(=O)n(C)c5nc34)cc2)CC1,QHGRIEJPDXBPTL-UHFFFAOYSA-N
rxn:4:221537:222423,COc1c(-c2ccc3nc(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc(-c4ccccc4)c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VGVKTIDGVMVGMY-UHFFFAOYSA-N
rxn:4:221539:222628,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)CC(C)O1,OGSRRELOEBSURT-UHFFFAOYSA-N
rxn:4:221570:222538,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,NSDGQQNFQJIXCS-UHFFFAOYSA-N
rxn:4:221755:223845,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1,RFJVAQTUMDFVHY-UHFFFAOYSA-N
rxn:4:221758:223841,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,FYUKQPALNYLTAP-UHFFFAOYSA-N
rxn:4:221929:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)CC1,ZORRESCHEDHBIG-UHFFFAOYSA-N
rxn:4:221990:222389,COc1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,RWFRIIIVIAWJPE-UHFFFAOYSA-N
rxn:4:222353:223827,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(C(F)(F)F)ccc6N6CCN(CC)CC6)cc5)c(C)nn43)c2=O)[nH]1,BQTUDJZJUWZIKN-UHFFFAOYSA-N
rxn:4:222362:222437,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)Nc7ccc(OC(F)(F)F)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,MUMPUPXVYRWHND-UHFFFAOYSA-N
rxn:4:222362:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,TUJQWMWZWIVART-UHFFFAOYSA-N
rxn:4:222362:223141,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cncc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,XVXKQAUAYJLYCL-UHFFFAOYSA-N
rxn:4:222362:223490,Cc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,MWXDDJOXARSWIY-UHFFFAOYSA-N
rxn:4:222362:223712,COc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1C12CC3CC(CC(C3)C1)C2,HJNLFEROJPEJAW-UHFFFAOYSA-N
rxn:4:222362:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,LMVXRIYFTYQQBZ-UHFFFAOYSA-N
rxn:4:222362:223843,CCN(CC)S(=O)(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C(F)(F)F)c1,HWDAWQOGFGTXJL-UHFFFAOYSA-N
rxn:4:222362:224122,COc1ccc(CSc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,NIVAGRFKBFLOFF-UHFFFAOYSA-N
rxn:4:222362:224160,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(c6)CCN7C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,ZMOFWXFTEWQDAW-UHFFFAOYSA-N
rxn:4:222362:224374,COc1ccc(S(=O)(=O)N2CCCC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,SIGGBQRBCUQBBF-UHFFFAOYSA-N
rxn:4:222362:224783,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c2ncc(OC(F)F)nc2c1,VAQQBIGVJZULEI-UHFFFAOYSA-N
rxn:4:222363:222444,COc1ccc(F)cc1C(=O)NCc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1,HBERBPBEOPDWHU-UHFFFAOYSA-N
rxn:4:222363:222701,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QRUFCKCAJJSRMR-UHFFFAOYSA-N
rxn:4:222363:222702,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JVUBSZGVNHACQV-UHFFFAOYSA-N
rxn:4:222363:224849,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCC5)cc(C5CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XWELUZKKGOKYAC-UHFFFAOYSA-N
rxn:4:222363:224890,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DLBRLJGYQVCQIO-UHFFFAOYSA-N
rxn:4:222363:224981,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(-n5ccnc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CGLQGILJUCXSNS-UHFFFAOYSA-N
rxn:4:222363:225266,CCCOc1ccc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,PJVKYEMWPCWAGY-UHFFFAOYSA-N
rxn:4:222363:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,HYSJRLMZUOFTNW-UHFFFAOYSA-N
rxn:4:222363:225284,Cc1cc(CN2CCN(c3c(-c4cnc(C(F)(F)F)c(CC(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PGPDSJYSXKQUGX-UHFFFAOYSA-N
rxn:4:222363:226028,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(C#N)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PIVMWWHDGFWFKU-UHFFFAOYSA-N
rxn:4:222363:228274,CSc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)cc1C,TYXOPHJIMOHYBU-UHFFFAOYSA-N
rxn:4:222363:228452,Cc1cc(CN2CCN(c3c(-c4cc5c(Cl)ncnc5s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KGTCMUMUNLMHOW-UHFFFAOYSA-N
rxn:4:214386:222537,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCCC7)nc(C7CCCNC7)c6)cccc5c4C3)n(C)c2c1,GONFMURHMDZOKZ-UHFFFAOYSA-N
rxn:4:215730:222423,COc1c(-c2cnc(N3CCC(SC)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XTOOOWYEKOKJHS-UHFFFAOYSA-N
rxn:4:218875:222423,COc1c(-c2ccc(OCc3nc(C#N)c(N4CCN(C)CC4)o3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JRQPKYFRVBFBKH-UHFFFAOYSA-N
rxn:4:219621:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1CC(C)=O,KXBLVEHOEUBPEK-UHFFFAOYSA-N
rxn:4:219657:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cccc(C)c3)c(=O)n2C)n1CC(C)=O,AVTFEKBYFLPWJH-UHFFFAOYSA-N
rxn:4:221115:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1,HLXZJKMNZQLSSM-UHFFFAOYSA-N
rxn:4:221252:222630,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCC3)nc(C3CCNCC3)c2)cc1,FPVPFIPXIOUCJR-UHFFFAOYSA-N
rxn:4:221273:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5CCc4ccccc4)n(C)c3=O)cc2)CC1,UOHHOESPYMIIJU-UHFFFAOYSA-N
rxn:4:221538:222538,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,VOIANKUHOLAWOH-UHFFFAOYSA-N
rxn:4:221556:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCO)c(C)c(C)n34)n(C)c2=O)cc1,GWZASUSBAZGQEP-UHFFFAOYSA-N
rxn:4:221764:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(C6CCCC6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,ODGAPZFPTHWWGS-UHFFFAOYSA-N
rxn:4:221768:223841,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)cc1C,FQQPRTUPGHJBLA-UHFFFAOYSA-N
rxn:4:221769:223819,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc5cnccc5n4S(=O)(=O)c4ccccc4)cc3)c(=O)n2C)c1,DOFMDRZNUAERQD-UHFFFAOYSA-N
rxn:4:221986:222465,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)CC1,ZAMNLJDYPLFAED-UHFFFAOYSA-N
rxn:4:221990:222621,COc1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,MIEWMRICOCQZPH-UHFFFAOYSA-N
rxn:4:221991:222389,Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)nnc1n2CCCc1ccccc1,BHJXIYOSCUTVCS-UHFFFAOYSA-N
rxn:4:221993:222461,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)cc(F)c6sc(NC(=O)OC(C)(C)C)nc56)cc4)c(=O)n(C)c3nc2n1CCN(C)C,DEGYHYYYEWGALW-UHFFFAOYSA-N
rxn:4:221993:222462,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)cc4)c(=O)n(C)c3nc2n1CCN(C)C,JIYMDTSWBGIJSZ-UHFFFAOYSA-N
rxn:4:222132:223760,COc1cc(-c2ccc(OC)c(-c3nnc4n(CC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)c(OC)cc1OCc1ccccc1,LTHZPZYWYBDVGC-UHFFFAOYSA-N
rxn:4:222135:223891,COc1ccc(-c2c(F)ccc3c2ccn3[Si](C)(C)C(C)(C)C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,LGYQALREWBZZOL-UHFFFAOYSA-N
rxn:4:222144:225250,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cncc(-c3ccc(F)c(F)c3)c2)cc1,WMAWGBSDKFTNNO-UHFFFAOYSA-N
rxn:4:222201:222423,COc1c(-c2ccc(-c3nnc4n(Cc5ccc(F)cc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HAQLGOSACQRKLY-UHFFFAOYSA-N
rxn:4:222205:222423,COc1c(-c2ccc(Cn3c4c(=O)n(C)c(=O)n(C)c4n4c(-c5ccc(C)cc5)nnc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XIZNZHFQESDPDI-UHFFFAOYSA-N
rxn:4:222305:222423,COc1c(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5-c4ccc(Cl)cc4)CC3)o2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AHMRQRTUGGNDCD-UHFFFAOYSA-N
rxn:4:222362:222436,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C(=O)Nc7cccc(OC(F)(F)F)c7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,YSMONSJNJWJOHS-UHFFFAOYSA-N
rxn:4:222362:222442,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)NC7CCCC7)c7ccccc67)cc6[nH]ncc56)nn4)cn3c2)CC1,VCWIBZRYKCLXIC-UHFFFAOYSA-N
rxn:4:222362:223957,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(CO[Si](C)(C)C(C)(C)C)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,ULUPWSTXCCYJNC-UHFFFAOYSA-N
rxn:4:222362:224200,Cc1cc(Cl)c(OCc2cccnc2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,OBZDGVSWKFWRSD-UHFFFAOYSA-N
rxn:4:222362:224631,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCc6ccncc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GDFSKFIXIQOHPQ-UHFFFAOYSA-N
rxn:4:222362:224742,COc1cc(OC)c(C2OCCO2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,IZZXKWISZRNRNW-UHFFFAOYSA-N
rxn:4:222362:226459,Cn1cnc2cc(C#N)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c21,BFJVDJGUMGOCGV-UHFFFAOYSA-N
rxn:4:222363:222997,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)cc4C4CCCNC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YORUKWZPXSFGOL-UHFFFAOYSA-N
rxn:4:222363:223768,Cc1cc(CN2CCN(c3c(-c4cn(C(=O)OC(C)(C)C)c5cc(C#N)ccc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OQTOZEZZERRFOJ-UHFFFAOYSA-N
rxn:4:222363:223842,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,USZMPCBMILWUBR-UHFFFAOYSA-N
rxn:4:222363:223977,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ccc4C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DEGRGYVXKKSRAI-UHFFFAOYSA-N
rxn:4:222363:224234,Cc1cc(CN2CCN(c3c(-c4cc(OCc5ccccc5)c(F)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LIBJDVCAEBHSJJ-UHFFFAOYSA-N
rxn:4:222363:225011,Cc1cc(CN2CCN(c3c(-c4cccc(C5(C#N)CCCC5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DGRQCQPPQAKPTF-UHFFFAOYSA-N
rxn:4:222363:225061,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCC(C)CC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WLQLUUBKLKMSFH-UHFFFAOYSA-N
rxn:4:200933:222389,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)s2)sc2cc(F)ccc21,XRXCDTIBDMCLMW-UHFFFAOYSA-N
rxn:4:202155:222389,Cc1ccc(C)c(CSc2nccn(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c2=O)c1,JPADGGAWXVXGOJ-UHFFFAOYSA-N
rxn:4:212846:222700,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)cc4)n(Cc4ccco4)c(=O)c23)C1,FGIOMSGSRNJRIV-UHFFFAOYSA-N
rxn:4:213451:222891,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC)nc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,KBSLETIZPAPGKV-UHFFFAOYSA-N
rxn:4:215261:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)c1,YZRGGTZMSRLIJF-UHFFFAOYSA-N
rxn:4:218684:222423,COc1c(-c2cccc(-c3ccc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)n3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JPESFGXQCQONPB-UHFFFAOYSA-N
rxn:4:219720:222423,CCc1nc(-c2c3n(c(=O)n(Cc4cccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)c4)c2=O)CCCC3)no1,PZTBDMIAKVPSHB-UHFFFAOYSA-N
rxn:4:221271:222524,Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(-c3ccccc3)cn21,XNZHJOVIHUXUDW-UHFFFAOYSA-N
rxn:4:221277:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)CC1,YVACFSMOIVYABC-UHFFFAOYSA-N
rxn:4:221357:222423,COc1c(-c2cnn(CC3CN(c4cc(C5CCC5)ncn4)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BFDNGTRHFKBHRS-UHFFFAOYSA-N
rxn:4:221538:223570,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,ZHNCLXUZXGFSMZ-UHFFFAOYSA-N
rxn:4:221570:222537,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,GDSLHNOXSVYCHN-UHFFFAOYSA-N
rxn:4:221743:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-c3c(C)nn4c3nnc3c(=O)n(-c5ccc(OC)cc5)ccc34)cc2)CC1,QXOSKQXAWIGMME-UHFFFAOYSA-N
rxn:4:221778:224011,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,IHPJIAQYNQVVMX-UHFFFAOYSA-N
rxn:4:221781:223845,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1C,CBBZQNDWFVRQMJ-UHFFFAOYSA-N
rxn:4:221929:223842,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,RXHXAPAPUVZIKR-UHFFFAOYSA-N
rxn:4:221995:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,KVUAXHILHFPCTE-UHFFFAOYSA-N
rxn:4:222193:222423,COc1c(-c2ccc3c(C(=O)N4Cc5cnc(N6CCOCC6)nc5C4)n(C)nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SWAPJRPIUAMMRO-UHFFFAOYSA-N
rxn:4:222195:223845,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)c2)CC1,UCCQIJYYTQVNNK-UHFFFAOYSA-N
rxn:4:222362:222600,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7nc(NC(=O)OC(C)(C)C)sc7c6)cc6[nH]ncc56)nn4)cn3c2)CC1,KDHXNXCUKJZWPB-UHFFFAOYSA-N
rxn:4:222362:222646,Cc1cc(NC(=O)OC(C)(C)C)cc(C)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,FJACITYBOSKGGS-UHFFFAOYSA-N
rxn:4:222362:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,OQNREOMTKWUNJD-UHFFFAOYSA-N
rxn:4:222362:224056,CCC[C@H]1CC[C@H](c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)CC1,QQHNAOKBASUBGB-KWQFAZJVSA-N
rxn:4:222362:224305,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,ZPIAAYMTHCLQGG-UHFFFAOYSA-N
rxn:4:222362:224405,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,LRCYDBVYWHVHJH-UHFFFAOYSA-N
rxn:4:222362:224422,CCCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,WMWXNVWAIYKVIC-UHFFFAOYSA-N
rxn:4:222362:227148,Cc1cc2c(cnn2C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,VTVAAJKSSQEJCQ-UHFFFAOYSA-N
rxn:4:222363:222446,COc1ccc(CNC(=O)c2ccc(F)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)cc1,BLXDXMYLSFQQRV-UHFFFAOYSA-N
rxn:4:222363:222685,Cc1cc(CN2CCN(c3c(-c4cc(NC(=O)OC(C)(C)C)c(F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QYRKJBKFNBEUHG-UHFFFAOYSA-N
rxn:4:222363:223925,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)c(OCc5ccccc5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BLRZKBAQFAYGQT-UHFFFAOYSA-N
rxn:4:222363:223930,Cc1cc(CN2CCN(c3c(-c4cc5cnn(C(=O)OC(C)(C)C)c5cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WVHWVGSNLLEHRM-UHFFFAOYSA-N
rxn:4:222363:224405,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FMDAALGYIGZRKX-UHFFFAOYSA-N
rxn:4:222363:224438,Cc1ccc(OCc2ccccc2)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,KTEHWXSVJIIICP-UHFFFAOYSA-N
rxn:4:222363:224715,CCCCOc1cc(C(F)(F)F)ccc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,KJBQITRDCMFGNZ-UHFFFAOYSA-N
rxn:4:222363:227674,COc1c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C)c(F)c1F,IPJWFISMQKITIX-UHFFFAOYSA-N
rxn:4:222363:228379,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4C#N)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AIFCTADLLJIPJQ-UHFFFAOYSA-N
rxn:4:213448:222851,CCc1cc(-c2ccc3nc(C)c(C4=NN(C(C)=O)C(c5ccc(OC)cc5)C4)c(-c4ccccc4)c3c2)cc(C2CCNCC2)n1,JTTHFSVWIHMCDO-UHFFFAOYSA-N
rxn:4:218694:223845,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)ccc2-c2nccs2)C1,JBUAMLOOBRQTDQ-PXDATVDWSA-N
rxn:4:221117:222423,COc1c(-c2ccc3nc(N(CCN4CCOCC4)C(=O)c4cnccn4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XITAQHIZOFVNBK-UHFFFAOYSA-N
rxn:4:221555:222461,Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,HLGQRYVHEPHPQM-UHFFFAOYSA-N
rxn:4:221573:222524,CC1CN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)cc4)c(=O)n3C)n2C1,AVZQYSHMRNDAMW-UHFFFAOYSA-N
rxn:4:221575:222524,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,NNMURTUOQAQRAQ-UHFFFAOYSA-N
rxn:4:221747:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,JLUMJWFIJWBVFZ-UHFFFAOYSA-N
rxn:4:221791:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)CC1,FUSQVDJFUVMINT-UHFFFAOYSA-N
rxn:4:221929:223925,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c(F)c(OCc2ccccc2)c1F,RDCGONODADSTSF-UHFFFAOYSA-N
rxn:4:221929:223991,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,LPDPLZBXUNRHQL-UHFFFAOYSA-N
rxn:4:221929:224304,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)ccc(O[Si](C)(C)C(C)(C)C)c5Cl)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,SYNCWEUQNHSKHG-UHFFFAOYSA-N
rxn:4:221929:224309,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,VKSPTXXEKLORQJ-UHFFFAOYSA-N
rxn:4:221929:224662,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)ccc5CN5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,QACFWQLFSXBUNN-UHFFFAOYSA-N
rxn:4:221989:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN(C)C)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QPLUMYMMECQIOC-UHFFFAOYSA-N
rxn:4:221990:222623,CCC(C)c1cc(-c2ccc(OC)c(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)cc(C2CCNCC2)n1,NIGADZVELOWYCD-UHFFFAOYSA-N
rxn:4:221990:223542,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,ZRUSWAWVJFNXGS-UHFFFAOYSA-N
rxn:4:221995:222602,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(CC(C)C)sc5S(=O)(=O)NC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,XWICBHICRLMLDY-UHFFFAOYSA-N
rxn:4:221995:222730,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc(C2CCNCC2)n1,IPBGOTOAGOMOIA-UHFFFAOYSA-N
rxn:4:221995:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)CC1,DDSACGRGAVFWNP-UHFFFAOYSA-N
rxn:4:221995:224038,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc6c(c5)C(C)(C)c5cc(Cl)ccc5-6)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OLQMTGNBXZSTBR-UHFFFAOYSA-N
rxn:4:222135:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,FCALGBABSGIDBW-UHFFFAOYSA-N
rxn:4:222142:222461,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1,ZMYJTQBIFQJQCY-UHFFFAOYSA-N
rxn:4:222142:222462,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1,WCNQQUFCRXHPKI-UHFFFAOYSA-N
rxn:4:222144:223828,CCN1CCN(c2cc(-c3ccc(-n4c(C)c(C)n5c6c(=O)n(CCN7CCCCC7)c(=O)n(C)c6nc45)cc3)cc(C(F)(F)F)c2)CC1,DUBICNZNPNTOPV-UHFFFAOYSA-N
rxn:4:222362:222389,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,QMZZYOJFGUZUIY-UHFFFAOYSA-N
rxn:4:222362:222828,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)NC6CC6)cc6[nH]ncc56)nn4)cn3c2)CC1,YLVNIXPTHFRBMA-UHFFFAOYSA-N
rxn:4:222362:223586,COc1ccc(COc2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc(C(F)(F)F)c2)cc1,HNSJMVVDBWLLHC-UHFFFAOYSA-N
rxn:4:222362:223625,Cc1cc(C(C)(C)C)ccc1OCc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1,QJUYEIZPLSEYBQ-UHFFFAOYSA-N
rxn:4:222362:224096,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCc6ccc(C#N)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,QVSQEALDUNBGKC-UHFFFAOYSA-N
rxn:4:222362:224197,CCN1CCN(Cc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)CC1,CRTHEOZAFVCKLC-UHFFFAOYSA-N
rxn:4:222362:225150,COc1cc(-n2ccc(C)n2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RKRYGOJGOOZLNW-UHFFFAOYSA-N
rxn:4:222362:225841,Cc1cn(-c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cn1,WTGYJTMCXRKKCY-UHFFFAOYSA-N
rxn:4:222363:222658,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C(=O)NC5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YOAMUNRXEHAUIL-UHFFFAOYSA-N
rxn:4:222363:223594,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PDAPAOVLOHBVRL-UHFFFAOYSA-N
rxn:4:222363:224057,Cc1cc(CN2CCN(c3c(-c4cc(C)c(C)cc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JXQYRNKGBOESCE-UHFFFAOYSA-N
rxn:4:222363:226132,Cc1cc(CN2CCN(c3c(-c4ccc(C5(C#N)CC5)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KAGZWUNIEFVEHL-UHFFFAOYSA-N
rxn:4:222363:228637,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YHRMBOXJUHPCBZ-UHFFFAOYSA-N
rxn:4:184221:222389,COC(=O)c1c(-c2ccccc2)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1,VJUYGBGMKKHVKZ-UHFFFAOYSA-N
rxn:4:201189:222389,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,OOSBBUYZXKEGRH-UHFFFAOYSA-N
rxn:4:213451:222855,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC)cc(C6CCCNC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GKLNGPQXYGFOFG-UHFFFAOYSA-N
rxn:4:214385:222389,COc1cc2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCNCC7)nc(C7CCNCC7)c6)cccc5c4C3)n(C)c2cc1OC,AGYQLMRIRRLTPK-UHFFFAOYSA-N
rxn:4:218694:222423,COc1c(-c2ccc(-c3nccs3)c(C(=O)N3C[C@H](Oc4nccc(C#N)c4C)CC[C@H]3C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NFQBJKLFOLVNBD-UFHPHHKVSA-N
rxn:4:218762:222389,O=c1c2ccccc2nc(SCc2nc(-c3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)no2)n1Cc1ccc(F)cc1,AXKCLZWAWBDIQU-UHFFFAOYSA-N
rxn:4:219709:223570,CC(=O)Cn1c(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)nc2c1c(=O)n(Cc1cccc3ccccc13)c(=O)n2C,OGJPMVHKQQPNAW-UHFFFAOYSA-N
rxn:4:220556:223845,Cc1nn2c(ncc3c(=O)n(-c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)ccc32)c1-c1ccc(F)cc1,YPEZTMRMMRRQHG-UHFFFAOYSA-N
rxn:4:221127:222423,CCOC(=O)C1CCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)nnn3c3ccsc23)CC1,CMEUZQKIFOFZQK-UHFFFAOYSA-N
rxn:4:221277:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,GZSUBEYQWQYINJ-UHFFFAOYSA-N
rxn:4:221277:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)CC1,WWJNVZPFLNDUHP-UHFFFAOYSA-N
rxn:4:221539:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c3cc(Cl)cnc32)cc1,MHXOOIKWMPRAOT-UHFFFAOYSA-N
rxn:4:221740:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC(C)=O)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RRFCXAFATAZSII-UHFFFAOYSA-N
rxn:4:221776:223841,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,ZXABAIDOCRUYBR-UHFFFAOYSA-N
rxn:4:221777:224688,CC1CN(c2ccc(-c3ccc(CN4CCC(=O)CC4)c(Cl)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,HZPDPOCXZWVOFB-UHFFFAOYSA-N
rxn:4:221787:222462,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3)c(=O)n2C)c1,RZSWBXYSFONZGH-UHFFFAOYSA-N
rxn:4:221928:223651,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(C5CCN(C(=O)OC(C)(C)C)C5)nc4C)ccc3OC)nnc12,CRCLBRIVXMTXBW-UHFFFAOYSA-N
rxn:4:221929:223488,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc6cc(Oc7ccccc7)ccc6n5C(=O)OC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,GLNXASQPOYOJDH-UHFFFAOYSA-N
rxn:4:221929:224146,Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,ZARVEIPMZOOVDK-UHFFFAOYSA-N
rxn:4:221929:224245,Cc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c(-c2cccc([N+](=O)[O-])c2)c1,DIMZIZFMTCFUEG-UHFFFAOYSA-N
rxn:4:221995:222997,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(Cl)cc5C5CCCNC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,AXDSQCXFJPNLDO-UHFFFAOYSA-N
rxn:4:221995:223530,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,RDIZNJVLLKHTQN-UHFFFAOYSA-N
rxn:4:221995:223891,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)ccc6c5ccn6[Si](C)(C)C(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,YFBLRSYMOWODAV-UHFFFAOYSA-N
rxn:4:221995:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,DNQDFYHXFSAVGK-UHFFFAOYSA-N
rxn:4:221995:226709,Cc1cc(C(F)(F)F)cc(C)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,RTVVDJIONWJUBP-UHFFFAOYSA-N
rxn:4:222138:223824,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccccc2)cc1,ZZYSKDHZKATGKG-UHFFFAOYSA-N
rxn:4:222144:224245,Cc1ccc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)c(-c2cccc([N+](=O)[O-])c2)c1,RIHXJBNOPKIOGY-UHFFFAOYSA-N
rxn:4:222144:224393,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1,PUHRDZCLTIBLOQ-UHFFFAOYSA-N
rxn:4:222362:223595,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,SFEDAZNLSUNCBZ-UHFFFAOYSA-N
rxn:4:222362:223846,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CC3CCC2(C)C3(C)C)c1,POBJZZLEQCNRGO-UHFFFAOYSA-N
rxn:4:222362:223960,CCN1CCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)CC1,KLMOJPKZYRFMJG-UHFFFAOYSA-N
rxn:4:222362:223999,CC1CCN(S(=O)(=O)c2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,VENLOGFMSOWSDJ-UHFFFAOYSA-N
rxn:4:222362:224996,COc1nccc(-c2ccccc2)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,INOCIWNLIUFNBH-UHFFFAOYSA-N
rxn:4:222363:222629,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCNC5)nc(C(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CNQFCHBVJYXOGO-UHFFFAOYSA-N
rxn:4:222363:223608,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCOCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OGCWDVJUNJXNII-UHFFFAOYSA-N
rxn:4:222363:223624,Cc1cc(CN2CCN(c3c(-c4cccc(COc5ccc(C(C)(C)C)cc5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MYFRIRCPBOLQFW-UHFFFAOYSA-N
rxn:4:222363:224141,Cc1cc(CN2CCN(c3c(-c4c(OCc5ccccc5)ccc(C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HPBDQTZJCLRTMN-UHFFFAOYSA-N
rxn:4:222363:224650,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCC4CCOCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GWGAAGKRZCJYEF-UHFFFAOYSA-N
rxn:4:222363:225672,Cc1cc(CN2CCN(c3c(-c4cc(F)nc(C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YNCPXMGTYUSHRQ-UHFFFAOYSA-N
rxn:4:188025:222389,CC(C)(C)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2Cc2ccco2)cc1,UCXIORAGUSCIQA-UHFFFAOYSA-N
rxn:4:212734:223526,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)c2)SC1=S,XNFVPNIQCYCQDK-UHFFFAOYSA-N
rxn:4:213480:222742,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5CCNCC5)nc(C5CC5)c4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QTYHEDKMYUYPIG-WGTAFYKGSA-N
rxn:4:218694:222524,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)ccc2-c2nccs2)C1,QCQQMGFRTFAHRH-CJFMBICVSA-N
rxn:4:219776:222423,COc1c(-c2ccc3nc(N4CCN(C(=O)c5ccccc5C)CC4)nc(-c4ccccc4)c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CEKRZTABNHRVAI-UHFFFAOYSA-N
rxn:4:220202:222389,O=C(c1cc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)ccc1Cl)N1CCC(n2cnc3ncccc3c2=O)CC1,FDKWYYOPVRAIGN-UHFFFAOYSA-N
rxn:4:221105:222423,CCn1cc(S(=O)(=O)N2CCCC(COc3ncc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cn3)C2)nc1C,AZHSNBYCOXYXMG-UHFFFAOYSA-N
rxn:4:221232:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3cnc(OCC4CCCN(c5nc6c(cc5C#N)COCC6)C4)nc3)c(F)c2s1,WSHQVEKKBLAREC-UHFFFAOYSA-N
rxn:4:221252:223528,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1,LKVOFNIGUXOFMR-UHFFFAOYSA-N
rxn:4:221263:222423,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,JDQZLHRQSCIIHD-UHFFFAOYSA-N
rxn:4:221271:223698,Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)cc3)c(-c3ccccc3)cn21,CMQAIWKWCQQVMB-UHFFFAOYSA-N
rxn:4:221763:222423,COc1c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CC(C)C)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SHVQAGUOYHBCKU-UHFFFAOYSA-N
rxn:4:221764:223992,Cc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(C6CCCC6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,XHUKJAMNDHKTDA-UHFFFAOYSA-N
rxn:4:221765:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3c(C)cn4c5c(=O)n(Cc6ccc(C)cc6)c(=O)n(C)c5nc34)cc2)CC1,BUDDFTOMUZPJJH-UHFFFAOYSA-N
rxn:4:221781:222524,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)c1C,QYKNJZOIZDPSFW-UHFFFAOYSA-N
rxn:4:221990:222622,CCC(C)c1cc(-c2ccc(OC)c(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)cc(C2CCCNC2)n1,LEYRBAYOPVZOHC-UHFFFAOYSA-N
rxn:4:221990:222624,COc1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,CPDUSQRFJCSOQE-UHFFFAOYSA-N
rxn:4:221990:223602,COc1ccc(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2Cl)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,WGKHPNDRWVWLPF-UHFFFAOYSA-N
rxn:4:221993:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN(C)C)c(C)c(C)n34)n(C)c2=O)cc1,YIKGUBOKJDOXBS-UHFFFAOYSA-N
rxn:4:221995:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,LGIWRYWOVIAWGM-UHFFFAOYSA-N
rxn:4:221995:223692,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(OCc6cccnc6)c(Cl)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,AOUJXFSDPKSPJS-UHFFFAOYSA-N
rxn:4:221995:223812,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,HYSQXWCYRZYMEZ-UHFFFAOYSA-N
rxn:4:221995:224007,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(OC(F)(F)F)cc(OCC(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,KCAHVQHALAAKFF-UHFFFAOYSA-N
rxn:4:221995:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,NKRXDXRDZKPEEA-UHFFFAOYSA-N
rxn:4:221995:225196,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(Cl)c(F)c(OC6CCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,FAPHCDZFYTWXDB-UHFFFAOYSA-N
rxn:4:221995:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,HSQBBISTDCKQHC-UHFFFAOYSA-N
rxn:4:222134:222466,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,JWOPFQBFYQDNHI-UHFFFAOYSA-N
rxn:4:222202:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-n4c(-c5cccc([N+](=O)[O-])c5)cn5c6c(=O)n(C)c(=O)n(C)c6nc45)cc3)c(F)ncc21,OEIFAJSHMXHZKO-UHFFFAOYSA-N
rxn:4:222306:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(F)cc5)CC4)o3)c2)CC1,LNWCUIJQCMWPIN-UHFFFAOYSA-N
rxn:4:222356:222700,Cc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6ccc(C(F)(F)F)cc6C6CCCNC6)cc5)c(C)nn43)c2=O)[nH]1,ATRVYUOCIIGBKM-UHFFFAOYSA-N
rxn:4:222356:223604,Cc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cccc(Oc7ccc(C(F)(F)F)cc7[N+](=O)[O-])c6)cc5)c(C)nn43)c2=O)[nH]1,TVBCEPZTKUDUNG-UHFFFAOYSA-N
rxn:4:222362:222466,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCCCC7)nc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WJIGRYKZJFKPQK-UHFFFAOYSA-N
rxn:4:222362:223559,CC1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc21,DCNLJTMAPLVYMP-UHFFFAOYSA-N
rxn:4:222362:224457,Cc1ccccc1COc1ccccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,PXUQREXTDKUCGP-UHFFFAOYSA-N
rxn:4:222362:224464,CCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)cc1,DNXJSFJOPLOGLJ-UHFFFAOYSA-N
rxn:4:222363:222601,Cc1cc(CN2CCN(c3c(-c4cccc5sc(NC(=O)OC(C)(C)C)nc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BBZDOVGTQGFOQR-UHFFFAOYSA-N
rxn:4:222363:224587,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCC(C)CC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HTXUFCHQGXHHRG-UHFFFAOYSA-N
rxn:4:222363:226825,Cc1cc(CN2CCN(c3c(-c4cc(Cl)c(C(F)(F)F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QFBOYOALHKWIRE-UHFFFAOYSA-N
rxn:4:222363:228378,Cc1cc(CN2CCN(c3c(-c4ccc(C#N)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QQKJRRRBJAWWQF-UHFFFAOYSA-N
rxn:4:190202:223307,CN(Cc1ccc(F)c(-c2ccc3c(c2)CCNC3)c1)C1CCOCC1,SLNNHIWXZGYBKU-UHFFFAOYSA-N
rxn:4:201026:222423,COCCn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(C)ccc21,ZBKJNRAHOPVEQK-UHFFFAOYSA-N
rxn:4:213445:222538,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)c(OC)ccc5c4)nc23)cc1OC,HAXSGEZDZDDVSL-UHFFFAOYSA-N
rxn:4:215283:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc([N+](=O)[O-])cc2)N(c2cccc(C)n2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DDTPHJXHVVADDX-UHFFFAOYSA-N
rxn:4:218629:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)Cc4c(C)noc4C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LWNQRRYJMWKRKL-UHFFFAOYSA-N
rxn:4:218693:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4nc(-c5ccccc5C)oc4C)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XWELDWWXJCHJCV-UHFFFAOYSA-N
rxn:4:219707:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(Cl)cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)ncnc2c1F,KVKWABNCMAFZDU-UHFFFAOYSA-N
rxn:4:220141:222423,COc1c(-c2ccc3c(C(=O)N4CCC(N5C(=O)CSC5=O)C4)n(C)nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZCLWFVFYNVGLDE-UHFFFAOYSA-N
rxn:4:221271:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-n4c(-c5ccccc5)cn5c6c(=O)n(CCCO)c(=O)n(C)c6nc45)cc3)c(F)ncc21,LJKAJBKEIWPUJU-UHFFFAOYSA-N
rxn:4:221538:223557,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,XNZSDEGWWAGXJM-UHFFFAOYSA-N
rxn:4:221557:222423,COC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,AGSQCSLBFHHQTF-UHFFFAOYSA-N
rxn:4:221746:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccccc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,OOJBCPFPEVGGPC-UHFFFAOYSA-N
rxn:4:221747:223993,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,VISJQIIQTOEPQL-UHFFFAOYSA-N
rxn:4:221759:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JALAUACYEUYNGR-UHFFFAOYSA-N
rxn:4:221767:223841,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCN4c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)n(C)c2=O)c1,MTSZGXDMTNEZER-UHFFFAOYSA-N
rxn:4:221783:223845,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,AXUCGJODDVBUFE-UHFFFAOYSA-N
rxn:4:221929:224308,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,KDLCFKSOMDONEE-UHFFFAOYSA-N
rxn:4:221986:222439,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)CC1,BPLNDLDOHHIOOY-UHFFFAOYSA-N
rxn:4:221987:222465,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)ccc3OC)nnc12,VNRYMMFGJVABDG-UHFFFAOYSA-N
rxn:4:221990:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(-c4nnc5n(CCC(C)C)c6c(=O)n(C)c(=O)n(C)c6n45)c3)c(F)cc2C)CC1,IYGWGWSABUYMBL-UHFFFAOYSA-N
rxn:4:221994:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,VRDBEZBOQURKOK-UHFFFAOYSA-N
rxn:4:221995:223684,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(OCc6cccnc6)ccc5OC(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,JTKOCCRKBVBIFM-UHFFFAOYSA-N
rxn:4:221995:223925,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(F)c(OCc2ccccc2)c1F,QKKHOIRZCGUJJB-UHFFFAOYSA-N
rxn:4:221995:224405,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCCC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,IMLXBMFPXLOPFV-UHFFFAOYSA-N
rxn:4:221995:225010,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(F)c(CN6CCCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,XGOKILDMCSAWSI-UHFFFAOYSA-N
rxn:4:222135:222538,COc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,WEDSEGJOPAUMJH-UHFFFAOYSA-N
rxn:4:222144:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)CC1,QNXRDRRTUMCFID-UHFFFAOYSA-N
rxn:4:222202:222628,Cn1c(=O)c2c(nc3n(-c4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4)c(-c4cccc([N+](=O)[O-])c4)cn23)n(C)c1=O,QZMRZFSISIUYDY-UHFFFAOYSA-N
rxn:4:222362:222485,Cc1cccc(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)c1C,HCRIHORTWJPENP-UHFFFAOYSA-N
rxn:4:222362:223491,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(N7CCN(C(=O)OC(C)(C)C)CC7)cc(C(F)(F)F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WGDVLOSVSKMKOH-UHFFFAOYSA-N
rxn:4:222362:223640,CCOC12C(=O)c3cc(F)cc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)c3C(=O)C1C2(C)C,HBJVQQZNDMYUOG-UHFFFAOYSA-N
rxn:4:222362:226718,COc1nc(OC)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1SC,DUHVEEXQIODMGI-UHFFFAOYSA-N
rxn:4:222363:222631,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)nc(C(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NRFHKOBHRDGWIZ-UHFFFAOYSA-N
rxn:4:222363:224087,Cc1cc(CN2CCN(c3c(-c4cccc(OCCN5CCCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NXMFKUZRCPJXNC-UHFFFAOYSA-N
rxn:4:222363:225051,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCCC(C)C5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PVPBVAGSYPMTFX-UHFFFAOYSA-N
rxn:4:222363:225685,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(C5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VTGPJOZUZIIABC-UHFFFAOYSA-N
rxn:4:222363:226412,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OQLZDMKIMBSRCD-UHFFFAOYSA-N
rxn:4:189692:227201,O=[N+]([O-])c1ccc(OC2CCOCC2)c(-c2ccnc3ccc(F)cc23)c1,VNJSVJIBMZBPMV-UHFFFAOYSA-N
rxn:4:201189:222465,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,GCDRVVNDXWERDG-UHFFFAOYSA-N
rxn:4:201189:222466,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,FRSNNJUTUCCAGR-UHFFFAOYSA-N
rxn:4:201189:222538,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,RJJNYJOOCNMFOR-UHFFFAOYSA-N
rxn:4:202809:222389,COc1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC,NVVMHHWICXLEMJ-UHFFFAOYSA-N
rxn:4:212839:222702,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CCCNC5)ccc4C(F)(F)F)ccn23)CC1,ADKWCOYAJIDZGW-UHFFFAOYSA-N
rxn:4:212839:222743,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(C)N5CCC(O)CC5)cc4)ccn23)CC1,DGVGAJRFXYCMDX-UHFFFAOYSA-N
rxn:4:213451:222930,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(Cl)c(N6CCCC(O)C6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,YDODDTXDPBOBHK-UHFFFAOYSA-N
rxn:4:219725:222423,COc1c(-c2ccc(CSc3nc(-c4ccc(F)cc4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QGRVXUDYTLRWRT-UHFFFAOYSA-N
rxn:4:221265:222423,COc1c(-c2ccc(S(=O)(=O)c3nnn4c3nc(N(C)Cc3ccccc3)c3ccccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DWHRVMXTUCTTHL-UHFFFAOYSA-N
rxn:4:221277:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,KDBLPWAXJBTIIJ-UHFFFAOYSA-N
rxn:4:221418:222423,COc1c(-c2cncc(C(=O)N3CCN(c4ccc(-c5ccccc5C)nn4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QWORRWJVDUBVSE-UHFFFAOYSA-N
rxn:4:221773:223841,Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)n(C)c2=O)cc1,KLVBBMVDXJGVOV-UHFFFAOYSA-N
rxn:4:221929:224305,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,LXMBGRIWZZDNIC-UHFFFAOYSA-N
rxn:4:221983:222389,Cc1cc(C)n2c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,PMLGNYBYYVIFEA-UHFFFAOYSA-N
rxn:4:221983:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc2nc(C)cc(C)n12,BTOQUSOUXXOLOE-UHFFFAOYSA-N
rxn:4:221995:222466,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,WACKSRSCPADWSS-UHFFFAOYSA-N
rxn:4:221995:222828,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)NC5CC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,KAYXJGZLNZNDKV-UHFFFAOYSA-N
rxn:4:221995:223488,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc6cc(Oc7ccccc7)ccc6n5C(=O)OC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,DDFJDLNOXOHBTB-UHFFFAOYSA-N
rxn:4:221995:224420,Cc1cc2c(cc1-c1ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc1)C(C)(C)CCC2(C)C,NAMDZAOTBSKZKA-UHFFFAOYSA-N
rxn:4:221995:224823,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(-c6cscn6)cc(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,QMAHZFXRZJNCFM-UHFFFAOYSA-N
rxn:4:222134:222465,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,TYXLLAAGXYNSML-UHFFFAOYSA-N
rxn:4:222143:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LBAQWMKYJYKCQI-UHFFFAOYSA-N
rxn:4:222250:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)cn34)n(C)c2=O)cc1,AWQYCXYIAJJPQW-UHFFFAOYSA-N
rxn:4:222302:222423,COc1c(-c2cnc(OCC3CCCN(c4ncnc5c4ncn5C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LBNSCWJLRCFDDD-UHFFFAOYSA-N
rxn:4:222349:222730,CCCc1cc(-c2cncc(C(=O)N3CC4CN(c5ncnc6c5ncn6C)CC4C3)c2)cc(C2CCNCC2)n1,PZPMQWVAGRBIDB-UHFFFAOYSA-N
rxn:4:222362:222435,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C(=O)Nc7ccc(OC(F)(F)F)cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WALPERIFQRRCGV-UHFFFAOYSA-N
rxn:4:222362:222479,Cc1ccc(CNC(=O)c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cc1,KWEWKYJGXCLZKC-UHFFFAOYSA-N
rxn:4:222362:222700,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(F)(F)F)cc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,JJBKEGFLXCYLPJ-UHFFFAOYSA-N
rxn:4:222362:223906,COc1ccc(CSc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)cc1,KKFAOSXOWUNDHC-UHFFFAOYSA-N
rxn:4:222362:225275,COCCOc1c(F)c(C)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1F,SIUZVMSXLNNBMW-UHFFFAOYSA-N
rxn:4:222362:227769,COc1ncc([N+](=O)[O-])cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,KKOKFWUKTIFZSS-UHFFFAOYSA-N
rxn:4:222363:223565,Cc1cc(CN2CCN(c3c(-c4ccc(-c5ncc(-c6ccc(N(C)C)cc6)o5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OTCISWHYZLSAIE-UHFFFAOYSA-N
rxn:4:222363:225381,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUVWTJNNQCLKIJ-UHFFFAOYSA-N
rxn:4:222363:228960,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PABKGMVWJKHLGS-UHFFFAOYSA-N
rxn:4:201186:222423,CCCOc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,GZCYGCZKVFFRIQ-UHFFFAOYSA-N
rxn:4:212754:223570,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,QRIDDMCSUSJDAI-UHFFFAOYSA-N
rxn:4:215282:222423,CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)s1,HORHQYXCBYZANJ-UHFFFAOYSA-N
rxn:4:218696:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C,DJVAKLSMRAADGO-UHFFFAOYSA-N
rxn:4:218751:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3nc(N(Cc4ccccn4)C(=O)c4ccc(N(C)C)cc4)sc3c2)CC1,GZSLYEXHIXSVHI-UHFFFAOYSA-N
rxn:4:218760:222389,O=c1c2ccccc2nc(SCc2nc(-c3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)no2)n1Cc1ccc(Cl)cc1,XOGXWAVDJSVSMK-UHFFFAOYSA-N
rxn:4:219552:222423,COc1nc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,RAIWYJVUGPMVFE-UHFFFAOYSA-N
rxn:4:221099:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)c4cn(C)nc4C(F)F)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DEJRUUKHVBBBDW-UHFFFAOYSA-N
rxn:4:221264:222423,CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,UXPSADYYDFDBGW-UHFFFAOYSA-N
rxn:4:221430:222423,COc1c(-c2cncc(C(=O)N3CCN(c4c(C)nn(-c5ccccc5)c4C)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LKDITFLTQHFHJG-UHFFFAOYSA-N
rxn:4:221757:223841,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,AFNYUOBMIKNJNY-UHFFFAOYSA-N
rxn:4:221759:223841,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UMIIXRFUVAPPQI-UHFFFAOYSA-N
rxn:4:221769:223841,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)c1,FJVRBZIKTSNKRZ-UHFFFAOYSA-N
rxn:4:221789:223844,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(S(=O)(=O)N5CCCC5)cc4C(F)(F)F)cc3)n(C)c2=O)cc1,XVPLDDPDZULOQO-UHFFFAOYSA-N
rxn:4:221792:223845,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n3C)n2C1,RALZNRHJWOTQAJ-UHFFFAOYSA-N
rxn:4:221928:223841,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)ccc3OC)nnc12,APBCRTLTTXYJFX-UHFFFAOYSA-N
rxn:4:221929:223524,COc1ccc2c(c1)c(-c1ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc1)cn2S(=O)(=O)c1ccc(C)cc1,MLRWLNBYKIRDGU-UHFFFAOYSA-N
rxn:4:221929:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)CC1,DYGIKSRSLPHXGC-UHFFFAOYSA-N
rxn:4:221990:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,OYLJTZFYZPAZGQ-UHFFFAOYSA-N
rxn:4:221991:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(-c3nnc4n(CCCc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)CC1,UBDGIWLTYJUAJT-UHFFFAOYSA-N
rxn:4:221995:224765,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C(F)(F)F)ccc5N5CCCC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,XRJQYKNPZBQFOD-UHFFFAOYSA-N
rxn:4:221995:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,RZPDSKWRWGFOEZ-UHFFFAOYSA-N
rxn:4:221995:227158,Cc1c2c(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)cccc2nn1C,IZNSLDWRFBKONK-UHFFFAOYSA-N
rxn:4:222137:223842,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1,IVVSBTBGDUEIEV-UHFFFAOYSA-N
rxn:4:222235:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n4C(C)C(C)=NN5C)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WVSQYZVPUJIPKU-UHFFFAOYSA-N
rxn:4:222307:222423,CCc1nnc2ccc(N3CC4CN(C(=O)c5cncc(-c6cccc(-c7nc8ccc9[nH]ncc9c8c8c7CCC8)c6OC)c5)CC4C3)nn12,SNQLOVHVYVGPQV-UHFFFAOYSA-N
rxn:4:222362:222481,Cc1ccc(C)c(NC(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)c1,UVOACYPJYNDQSQ-UHFFFAOYSA-N
rxn:4:222362:222756,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(CNC(=O)c7cccs7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,FGQQDSDNLWDRLA-UHFFFAOYSA-N
rxn:4:222362:223488,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc7cc(Oc8ccccc8)ccc7n6C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,WCAAFDNKQRJJPV-UHFFFAOYSA-N
rxn:4:222362:223539,COc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,AKIRBTNFTMXGLQ-UHFFFAOYSA-N
rxn:4:222362:223635,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,VSRSOKXTQVSCIO-UHFFFAOYSA-N
rxn:4:222362:223686,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,BNEVFVBUCVZYEU-UHFFFAOYSA-N
rxn:4:222362:223729,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(C)(C)C)ccc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ZPLOJESSWIFXIA-UHFFFAOYSA-N
rxn:4:222362:223953,COCCN1CCN(c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,XNABDSZUNRYONV-UHFFFAOYSA-N
rxn:4:222362:224304,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)ccc(O[Si](C)(C)C(C)(C)C)c6Cl)cc6[nH]ncc56)nn4)cn3c2)CC1,YYPUSNNLGJBUAO-UHFFFAOYSA-N
rxn:4:222362:225152,COc1cc(-n2cnc(C)c2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,CRSKOLIBUQCBAM-UHFFFAOYSA-N
rxn:4:222363:224125,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C6CC6)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PXTZNKICDHQORU-UHFFFAOYSA-N
rxn:4:222363:225206,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)c(C)cc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IQMKXAPGRSKUHJ-UHFFFAOYSA-N
rxn:4:222363:226417,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HAAMZMMKQVGGSI-UHFFFAOYSA-N
rxn:4:222363:229080,Cc1cc(CN2CCN(c3c(-c4cnc(C5CC5)s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ATEDMYYVEANBFO-UHFFFAOYSA-N
rxn:4:199724:222423,COc1c(-c2cc(F)c([N+](=O)[O-])c(OC3CCN(C(=O)OC(C)(C)C)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IPPMSZUYGDKGKB-UHFFFAOYSA-N
rxn:4:199747:222423,COc1c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(Oc3ccccc3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VXTBFQUNHRZICL-UHFFFAOYSA-N
rxn:4:199918:222423,COc1c(-c2ccc(C(=O)OCC(C)C)c(Oc3cnc4[nH]ccc4c3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WSFCYEABWYYSOJ-UHFFFAOYSA-N
rxn:4:201294:227506,N#Cc1cc(-c2cccc(/C=C/[N+](=O)[O-])c2)cnc1OCC1CC1,UERFPVJKKXOVPU-VOTSOKGWSA-N
rxn:4:204180:222423,COc1c(-c2cc(S(=O)(=O)N3CCN(c4ccc(C)cc4C)CC3)c(C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QOZBELHUKGXZEK-UHFFFAOYSA-N
rxn:4:204846:222423,COc1c(-c2ccc(CN3C(=O)N(c4cc(C)ccc4C)C4CS(=O)(=O)CC43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GQSHGRUKVRIKKX-UHFFFAOYSA-N
rxn:4:212839:223841,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)ccn23)CC1,ABRXSYMPZBFONA-UHFFFAOYSA-N
rxn:4:213445:222891,COc1cc(-c2c(OC)ccc3cc(-c4nc5c(-c6ccc(OC)c(OC)c6)cnn5cc4C)ccc23)cc(C2CCNCC2)n1,NVUNFQIXIIIYQL-UHFFFAOYSA-N
rxn:4:213450:222890,COc1cc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)cc(C2CCCNC2)n1,IDJKHNOHBURKNJ-UHFFFAOYSA-N
rxn:4:219706:222423,COc1c(-c2cc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CZGFVRYOMJJPOQ-UHFFFAOYSA-N
rxn:4:219773:222423,CCn1cc(-c2nc(-c3cccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21,HOXZBDSRWVZLFU-UHFFFAOYSA-N
rxn:4:220149:222423,COc1c(-c2ccc3c(N4CC(C(=O)N5CCOCC5)CC4=O)[nH]nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CKVWRMNAKLAIAM-UHFFFAOYSA-N
rxn:4:221556:222518,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(F)c6sc(NC(=O)OC(C)(C)C)nc56)cc4)c(=O)n(C)c3nc2n1CCO,VHFZBQICRRMVIL-UHFFFAOYSA-N
rxn:4:221777:224667,CC1CN(c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,WJFILEUEHXQXBG-UHFFFAOYSA-N
rxn:4:221789:223845,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)n(C)c2=O)cc1,RUVWOHOTPMZOCC-UHFFFAOYSA-N
rxn:4:221928:223691,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(OCc5cccnc5)c(C(F)(F)F)cc4Cl)ccc3OC)nnc12,UJEWGNYPJOETRZ-UHFFFAOYSA-N
rxn:4:221987:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(-c4nnc5n(CCOC)c6c(=O)n(C)c(=O)n(C)c6n45)c3)c(F)cc2C)CC1,HCBZNCHKOJSAGQ-UHFFFAOYSA-N
rxn:4:222135:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,XMGABIXQTCTDLE-UHFFFAOYSA-N
rxn:4:222137:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1,BQWKJLSSFCOUSA-UHFFFAOYSA-N
rxn:4:222234:223570,CC1=NN(Cc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1C,XHZKLEVRLJFADZ-UHFFFAOYSA-N
rxn:4:222267:223570,CCc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5cccc(-c6c(F)ncc7c6ccn7[Si](C(C)C)(C(C)C)C(C)C)c5)no4)cnc32)cc1,ZYWLLFQLIWCHLU-UHFFFAOYSA-N
rxn:4:222319:222423,COc1c(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5-c4ccc(C)cc4)CC3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YLRPNYPFCIFHFW-UHFFFAOYSA-N
rxn:4:222362:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cc1,UHBHXMJFCOIPMV-UHFFFAOYSA-N
rxn:4:222362:223266,CNC(=O)c1ccc(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,FTQUDYSIWZPMHL-UHFFFAOYSA-N
rxn:4:222362:224078,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc7c6ccn7[Si](C)(C)C(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,RPHCPCQUDTVZDA-UHFFFAOYSA-N
rxn:4:222362:224489,CC(C)N(Cc1ccc(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1)C(C)C,ZVZDGAKVSPSQNH-UHFFFAOYSA-N
rxn:4:222362:225003,COc1cc(N2CCCCC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,HKJAHVQTIAVIPK-UHFFFAOYSA-N
rxn:4:222362:225209,Cc1nc(N2CCCCC2C)ncc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,NEMNZACOCKBWPV-UHFFFAOYSA-N
rxn:4:222362:227146,Cc1c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc2c1cnn2C,JOOVOWIRFGNZSA-UHFFFAOYSA-N
rxn:4:222363:223648,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KOPJPSWHYUDVGI-UHFFFAOYSA-N
rxn:4:222363:223651,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCN(C(=O)OC(C)(C)C)C5)nc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KYBSRAWRXBJQMP-UHFFFAOYSA-N
rxn:4:222363:226458,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)c(C#N)nn5C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AHZYDMFXNDWBGH-UHFFFAOYSA-N
rxn:4:188026:222389,CC(C)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,BZWQIYWREBRYMK-UHFFFAOYSA-N
rxn:4:193261:222998,Fc1cc(-c2cnc(C(F)(F)F)c(C3CCCC3)c2)cc(C2CCCNC2)c1,JKSCEBHOMLUWLM-UHFFFAOYSA-N
rxn:4:199855:222423,COc1cc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,CXDNMFJDZBLJLV-UHFFFAOYSA-N
rxn:4:200033:222423,COc1c(-c2cnc3cc(CN4CCC(CO[Si](C)(C)C(C)(C)C)C4)oc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LNFSWULYSBJPJR-UHFFFAOYSA-N
rxn:4:200057:222423,COc1c(-c2ccc(C(=O)OCCN3C(=O)c4cccc5c(N6CCOCC6)ccc(c45)C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FEYCWZDKBJBFRP-UHFFFAOYSA-N
rxn:4:200904:222423,COc1ccc(C(=O)N2C(=S)C(c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)=NC23CCCCCC3)cc1OC,REPDMGOFDJQQEX-UHFFFAOYSA-N
rxn:4:201019:222423,COc1c(-c2ccc(C(=O)OC(C)(C)C)c(Oc3cnc4[nH]ccc4c3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NSLOJPBBWIVXGQ-UHFFFAOYSA-N
rxn:4:201167:222423,CCOc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)cc1OC,XFHYPIJTKSGRKR-UHFFFAOYSA-N
rxn:4:202783:222423,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)on2)cc1,FXXUNWVWRJDPQF-UHFFFAOYSA-N
rxn:4:202793:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(OC(C)C)cc2)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RIPHXGYCOMJPSU-UHFFFAOYSA-N
rxn:4:202800:222423,CC#Cc1cc2c(c(F)c1-c1cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c1OC)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,GWRDDHXRVMMIPH-RUZDIDTESA-N
rxn:4:204845:222423,COc1c(-c2ccc(CN3C(=O)N(c4cc(C)cc(C)c4)C4CS(=O)(=O)CC43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BOLHKEZQIOGGKA-UHFFFAOYSA-N
rxn:4:204866:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCC(C)CC4)S(=O)(=O)c4ccccc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JXHBLVADRHRTMJ-UHFFFAOYSA-N
rxn:4:204870:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(F)cc43)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VGXZBVXJIITPMB-UHFFFAOYSA-N
rxn:4:212741:223728,CCCCCC1CCC(c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCCC4)c3)c(F)c2)CC1,CCMZARSECIDTLO-UHFFFAOYSA-N
rxn:4:214388:222537,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)c(OC)cc12)CC3,VWVLNNDAWLFVTM-UHFFFAOYSA-N
rxn:4:218725:222423,CCOC(=O)Cn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2Cc2ccccc2Cl)n(C)c1=O,XKLFYCFMBUIFHS-UHFFFAOYSA-N
rxn:4:218764:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2Cc2ccccc2Cl)CC1,APUXBZFIJIGYST-UHFFFAOYSA-N
rxn:4:219532:222423,COc1nc(N2CCCC(C(=O)N3CCSCC3)C2)ncc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,PVZJHUQHRQBFGY-UHFFFAOYSA-N
rxn:4:221277:222466,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,HRBKIFDSMRDQOG-UHFFFAOYSA-N
rxn:4:221277:222624,CC(C)Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,RPJWNFPJZOKXKQ-UHFFFAOYSA-N
rxn:4:221277:222848,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,XQMAADKSKLVHIG-UHFFFAOYSA-N
rxn:4:221570:222423,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)c(=O)n2C)c1,VVJCJGWKIUWNFN-UHFFFAOYSA-N
rxn:4:221766:222389,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,AAAFSMYAISFOST-UHFFFAOYSA-N
rxn:4:221782:222466,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,HJVIUNXJOMHATB-UHFFFAOYSA-N
rxn:4:221786:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(C)c3)n(C)c2=O)cc1,ZBYMFPRBJDBEAQ-UHFFFAOYSA-N
rxn:4:221995:224774,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(N6CCCC6)c(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,BKQMCLZCARIYFH-UHFFFAOYSA-N
rxn:4:221995:225841,Cc1cn(-c2cc(F)cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)c2)cn1,CAKAYCXJIXBWLM-UHFFFAOYSA-N
rxn:4:221995:225919,COCc1cc(C(F)(F)F)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,QMDYFKWTDBSMDM-UHFFFAOYSA-N
rxn:4:222144:223991,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c2F)cc1,SCPVFXBTKAJOLI-UHFFFAOYSA-N
rxn:4:222195:222465,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)CC1,KOWDAMJZKHVCOF-UHFFFAOYSA-N
rxn:4:222205:222465,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,QEFJBHIXFNZEGS-UHFFFAOYSA-N
rxn:4:222205:222741,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,KOFKWQDFCCIGJI-UHFFFAOYSA-N
rxn:4:222262:222423,COc1c(-c2cc(-c3noc(Cn4cnc5c(nnn5Cc5cccc(F)c5)c4=O)n3)ccc2F)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OIWUQZNOROBTBR-UHFFFAOYSA-N
rxn:4:222362:222441,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)Nc7ccc(C(C)(C)C)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,NZIWNRQSLUCXLC-UHFFFAOYSA-N
rxn:4:222362:225974,Cc1nnc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)o1,LAQZFMGRMIRPPT-UHFFFAOYSA-N
rxn:4:222363:224302,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MKMPDRXERDLVCK-UHFFFAOYSA-N
rxn:4:222363:224418,Cc1cc(CN2CCN(c3c(-c4cccc5c4-c4ccccc4C5(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LDGPUADUAZSWHD-UHFFFAOYSA-N
rxn:4:200000:222423,CCCCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C)c1,IYXUNXSDZIYYJW-UHFFFAOYSA-N
rxn:4:200009:222423,COc1c(-c2ccc(Cn3cc(SCC(=O)N4CCCCC4)c4ccccc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LMTJCKPJDKEYEA-UHFFFAOYSA-N
rxn:4:200053:222466,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)c1,VFZDXZDSBRXHNT-UHFFFAOYSA-N
rxn:4:200054:222466,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,IMHQVRTWLZCASX-UHFFFAOYSA-N
rxn:4:200286:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C=Cc1ccc([N+](=O)[O-])cc1C#N,KZPIJUCUUXJPOZ-UHFFFAOYSA-N
rxn:4:201187:222423,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,DVNLQEUOAUFTAO-UHFFFAOYSA-N
rxn:4:201189:222537,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1,FYKRBNWUFAXNOS-UHFFFAOYSA-N
rxn:4:202784:222423,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,KCGPWIWBWNWAGS-UHFFFAOYSA-N
rxn:4:202795:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC,QLMLMOCNLMSRMX-UHFFFAOYSA-N
rxn:4:202809:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC,CNVCXRUYTRYITG-UHFFFAOYSA-N
rxn:4:204757:222423,COc1c(-c2ccc3c(ccn3CC(=O)N3CCC4(CC3)OCCO4)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HBDXQLHWTMFJIM-UHFFFAOYSA-N
rxn:4:204833:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OVNQBQNYRKWILW-UHFFFAOYSA-N
rxn:4:204838:222423,COc1c(-c2ccc(N3C(=O)C4ON(c5ccccc5C)C(c5ccco5)C4C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BLZQLXHNWPYGCK-UHFFFAOYSA-N
rxn:4:204869:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HUBRBQZDMLZSPW-UHFFFAOYSA-N
rxn:4:204930:222423,COc1c(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3c3nc(C)c(C(C)=O)s3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HYGDTILEUSMMMJ-UHFFFAOYSA-N
rxn:4:204957:222389,Cc1cccc(N2C(=O)c3oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c(=O)c3C2c2ccc(C(C)C)cc2)n1,DASBAOFVJYJHSC-UHFFFAOYSA-N
rxn:4:207951:222423,COc1c(-c2ccc(C3c4c(oc5ccc(C)cc5c4=O)C(=O)N3c3nc(C)c(C)s3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HEUTUOLVSGCEJD-UHFFFAOYSA-N
rxn:4:213451:222857,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC)cc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,XRBPJMCEMVWZJG-UHFFFAOYSA-N
rxn:4:219774:222423,CCn1cc(-c2nc(-c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21,SNAXJTQOSQBZII-UHFFFAOYSA-N
rxn:4:220239:222465,CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)C2=O)COc2ccccc21,GECQGHJSZAHIMA-HVWQOXBCSA-N
rxn:4:221572:223970,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCC(C)C)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,NZEOCFUVOBTDBN-UHFFFAOYSA-N
rxn:4:221789:222524,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)n(C)c2=O)cc1,FZYYVRDHBCNRSX-UHFFFAOYSA-N
rxn:4:221990:223597,COc1ccc(-c2ccc(OCCN3CCC4(CC3)OCCO4)c(Cl)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,GZRUHMHDDSSBIS-UHFFFAOYSA-N
rxn:4:221995:223835,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,RKTFWZNNCRFPIQ-UHFFFAOYSA-N
rxn:4:221995:225848,Cc1cn(-c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)c(Cl)c2)cn1,YXMAFUIYHRWFEZ-UHFFFAOYSA-N
rxn:4:222120:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-c3noc(CN4N=NC5C(=O)N(c6ccc(C)c(C)c6)C(=O)C54)n3)cc2)CC1,RGDGPTJCXKQPSH-UHFFFAOYSA-N
rxn:4:222134:222389,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,KPPUBKWRDHBRDJ-UHFFFAOYSA-N
rxn:4:222205:223542,Cc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCN(C)CC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,YNCLHFPSEHHJRP-UHFFFAOYSA-N
rxn:4:222306:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(F)cc5)CC4)o3)c(F)ncc21,ZQFPYEMNKQRTDH-UHFFFAOYSA-N
rxn:4:222362:222503,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(C(=O)NCc7ccc(F)cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WPOCVTHIANNVCU-UHFFFAOYSA-N
rxn:4:222362:223813,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCC8(CC7)OCCO8)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,IYRDYEHKWVDILT-UHFFFAOYSA-N
rxn:4:222363:223599,Cc1cc(CN2CCN(c3c(-c4cc5cc(C(F)(F)F)ccc5n4C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DUQQSRLURMGLGZ-UHFFFAOYSA-N
rxn:4:222363:223899,COc1cc(C(=O)N(C(C)C)C(C)C)ccc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,UMRULHKYMGFHIU-UHFFFAOYSA-N
rxn:4:222363:224070,Cc1cc(CN2CCN(c3c(-c4cncc(-c5ccc(C(C)(C)C)cc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GMAJYQLAGPKDDK-UHFFFAOYSA-N
rxn:4:222363:225052,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(N5CCCCC5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,MCRDYLXALVFKGE-UHFFFAOYSA-N
rxn:5:188932:227667:227048,COC(=O)c1cc(-c2ccc(C(=O)C(C)C)cc2)c(S(N)(=O)=O)c(-c2c(F)ccc(C(C)=O)c2F)c1,VFHNLXFPFVTWGS-UHFFFAOYSA-N
rxn:4:184247:222630,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(-c2cc(C4CCC4)nc(C4CCNCC4)c2)cc1)N(CCCOC(C)C)C3=O,PLRZYEZUWYNTDO-UHFFFAOYSA-N
rxn:4:189926:227877,Cc1cc2cc(-c3ccc(CS(=O)(=O)N4CCOCC4)cc3)ccc2s1,SOIMQTCXZSWCFX-UHFFFAOYSA-N
rxn:4:199881:222461,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)cc3)=NC23CCCCCC3)cc(OC)c1OC,IGZIXXQCUSDHNV-UHFFFAOYSA-N
rxn:4:199934:222423,C#CCn1c(=NC(=O)c2ccc(OC)cc2OC)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,BZYKMPMKYWJLGP-UHFFFAOYSA-N
rxn:4:199944:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccc4oc(=O)sc4c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KDZSABFVZSEVJO-UHFFFAOYSA-N
rxn:4:200835:222423,COc1c(-c2ccc(OCc3ccc(Cl)cc3)c(C=C3SC(N4CCOCC4)=NC3=O)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YBADRMLDOZENEW-UHFFFAOYSA-N
rxn:4:200901:222423,COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)C2=S)c1,RVPXZCSZDFEYKD-UHFFFAOYSA-N
rxn:4:201137:222423,COc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)cc1OC,CSYOBPQKQJPDBG-UHFFFAOYSA-N
rxn:4:201187:222389,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,JDLHAIODWOFEQH-UHFFFAOYSA-N
rxn:4:201606:222423,COc1c(-c2cnc(OCC3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JGJPMHFURHRDIU-UHFFFAOYSA-N
rxn:4:202322:222423,COc1c(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JUNRYYYLGVAKIU-UHFFFAOYSA-N
rxn:4:202777:222423,CCOc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)cc1,QEEMBFRYWBTQJY-UHFFFAOYSA-N
rxn:4:204875:222423,COc1c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)C34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GWRVONSSBVRAAH-UHFFFAOYSA-N
rxn:4:212839:223590,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)nc4C)ccn23)CC1,VMPXZMBSNWZDIG-UHFFFAOYSA-N
rxn:4:212839:223953,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)cc(N5CCN(CCOC)CC5)c4)ccn23)CC1,JEWWGYRXFVUYMB-UHFFFAOYSA-N
rxn:4:218782:222423,COc1cc2nc(SCC(=O)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)n3nc(C)nc3c2cc1OC,TYZAZJHPIPKBGF-UHFFFAOYSA-N
rxn:4:219114:222423,COc1cc(-c2nnc3sc(-c4ccc(F)c(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)c4)nn23)cc(OC)c1OC,LLCPRLBAXYSKCI-UHFFFAOYSA-N
rxn:4:219709:223845,CC(=O)Cn1c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)nc2c1c(=O)n(Cc1cccc3ccccc13)c(=O)n2C,SNJYBPVSVDMNAD-UHFFFAOYSA-N
rxn:4:221260:222423,CCOCCn1c(=O)c2c(nc3n(-c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(C)cn23)n(C)c1=O,DVQLFDQRWWRNNT-UHFFFAOYSA-N
rxn:4:221277:222986,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,LYPUCGBTWXKOFJ-UHFFFAOYSA-N
rxn:4:221747:223835,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCC(C)CC1,WIDYWDMNFIGBIP-UHFFFAOYSA-N
rxn:4:221787:222389,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,YFYXXYOKCSAYQJ-UHFFFAOYSA-N
rxn:4:221855:222423,CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,JMHIQSIMRDXXIZ-UHFFFAOYSA-N
rxn:4:221995:223824,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C(F)(F)F)cnc5OCc5ccccc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,VKMWGGAGHIBWDJ-UHFFFAOYSA-N
rxn:4:221995:223969,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C(F)(F)F)ccc5N5CCC(C)CC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,ZMPYTLRVDRJBLL-UHFFFAOYSA-N
rxn:4:222089:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-c4noc(CN5N=NC6C(=O)N(c7ccc(F)cc7)C(=O)C65)n4)cc3)c(F)ncc21,VRFHGQNURAFHIH-UHFFFAOYSA-N
rxn:4:222142:223845,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,RDMJPBTYNUXUKI-UHFFFAOYSA-N
rxn:4:222144:225244,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cncc(-c3cccc(F)c3F)c2)cc1,PUGADDZGXDRSCZ-UHFFFAOYSA-N
rxn:4:222205:222466,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,ZIGKKGVLEUIUPJ-UHFFFAOYSA-N
rxn:4:222205:222621,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(CC(C)C)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,RBYPYYNVTCKCMJ-UHFFFAOYSA-N
rxn:4:222263:222423,COc1c(-c2cc(-c3noc(Cn4cnc5c(nnn5Cc5ccc(F)cc5)c4=O)n3)ccc2F)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SSQZVWACHQWQJT-UHFFFAOYSA-N
rxn:4:222362:222613,CCCNS(=O)(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(C(F)(F)F)c1,RVBAMHCKPFREBI-UHFFFAOYSA-N
rxn:4:222362:224052,CCCc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)cc1,WRCBAWQATWHYBA-UHFFFAOYSA-N
rxn:4:222362:225009,Cc1cnc(OC2CCCCC2)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,MNEQALKBZINFSJ-UHFFFAOYSA-N
rxn:4:222363:222480,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(C(=O)Nc5cccc(C)c5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GLRCRYDWLXDGHM-UHFFFAOYSA-N
rxn:4:222363:222677,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4CNC(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XRGCFQHYXLIKKB-UHFFFAOYSA-N
rxn:4:222363:222729,CCCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCCNC2)n1,CPMIJRQXSUZPRV-UHFFFAOYSA-N
rxn:4:222363:224766,Cc1cc(CN2CCN(c3c(-c4cc(N5CCCC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UHRBDVQVHTWBLA-UHFFFAOYSA-N
rxn:4:222363:225824,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JHAGYCHAYGUGTJ-UHFFFAOYSA-N
rxn:4:180705:223184,COc1ccc2cc(C(C)=O)ccc2c1-c1cnc(N2CCNCC2)nc1,GDKYRJYZUMJZNX-UHFFFAOYSA-N
rxn:4:187995:222423,CCc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc2c1OC1(CCN(C(=O)OC(C)(C)C)C1)CC2=O,ZVFNKENKVXEMSA-UHFFFAOYSA-N
rxn:4:200053:222616,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)c1,FLWZYMGKOMDYBK-UHFFFAOYSA-N
rxn:4:201140:222423,COc1cc(OC)cc(N2C(=O)N(Cc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)c3ccccc3S2(=O)=O)c1,BTBKXELQALXKIV-UHFFFAOYSA-N
rxn:4:201184:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ABJNCRYPTQGXGI-UHFFFAOYSA-N
rxn:4:202353:222423,COc1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,KUHATEWKJKAXPL-UHFFFAOYSA-N
rxn:4:202736:222423,CCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,KSGUJPSCNRROPV-UHFFFAOYSA-N
rxn:4:204152:222423,COc1c(-c2ccc(CN3CCC(F)(F)CC3)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SIYHNSFWIGDEDC-UHFFFAOYSA-N
rxn:4:204796:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HOBVZQQAVXJAGU-UHFFFAOYSA-N
rxn:4:204928:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,SZEFLWCRIVKWAV-UHFFFAOYSA-N
rxn:4:217892:222423,COc1c(-c2cc(C)c(-n3c(C)c(C)c4c(Cl)nc(C)nc43)c(C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YZHKBXLTHJYZMF-UHFFFAOYSA-N
rxn:4:218696:222389,Cc1nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1-c1cc(C2CCNCC2)nc(C2CCNCC2)c1,MXDXUYUKAPNWHP-UHFFFAOYSA-N
rxn:4:220253:222742,O=[N+]([O-])c1cccc(-n2nc(-c3cccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)c3)c3cnc4ccc(F)cc4c32)c1,QFHMNOFDKZZIKA-UHFFFAOYSA-N
rxn:4:221252:222466,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,ROZAXJHNYNYYBP-UHFFFAOYSA-N
rxn:4:221277:222524,Cn1c(=O)n(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,XNPSGVVWZGXFNM-UHFFFAOYSA-N
rxn:4:221277:222851,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,TWGNELRFRMRGKI-UHFFFAOYSA-N
rxn:4:221538:222466,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,UWYKLLMCHSALHG-UHFFFAOYSA-N
rxn:4:221539:223845,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)CC(C)O1,GYZCWKINIIDWLW-UHFFFAOYSA-N
rxn:4:221735:222465,Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)c2)n(C)c1=O,CYLRJOUGFLELSO-UHFFFAOYSA-N
rxn:4:221772:224015,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCOCC1,KVXKFWLZEYDEHZ-UHFFFAOYSA-N
rxn:4:221776:224670,CC1CN(c2ccc(-c3cc(CN4CCN(C)CC4)ccc3F)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,MNCSGXXDDRIXDN-UHFFFAOYSA-N
rxn:4:221929:224420,Cc1cc2c(cc1-c1ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc1)C(C)(C)CCC2(C)C,SPLUKWUNMUGEKI-UHFFFAOYSA-N
rxn:4:221929:226599,CCOc1c(F)cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c(C)c1F,HZNSTLALPRWBHE-UHFFFAOYSA-N
rxn:4:221986:222506,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3Cl)cc2)CC1,FGZWMBWPRACIMN-UHFFFAOYSA-N
rxn:4:222055:222423,COc1c(-c2cccc(S(=O)(=O)N3CCN(c4ccc(-n5nc(C)cc5C)nn4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,TWJAPUHTRSOJGK-UHFFFAOYSA-N
rxn:4:222126:223474,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)CC1,VYWPRLWFAQTHEF-UHFFFAOYSA-N
rxn:4:222134:222719,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCNC6)nc(C(F)(F)F)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,PBOKQGRBRVCAST-UHFFFAOYSA-N
rxn:4:222195:222466,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)c2)CC1,GMOKUCBSBPLWOF-UHFFFAOYSA-N
rxn:4:222205:222848,CCc1cc(-c2ccc(Cn3c4c(=O)n(C)c(=O)n(C)c4n4c(-c5ccc(C)cc5)nnc34)cc2)cc(C2CCCNC2)n1,VKDVQWNHDBRKCD-UHFFFAOYSA-N
rxn:4:222262:222389,O=c1c2nnn(Cc3cccc(F)c3)c2ncn1Cc1nc(-c2ccc(F)c(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)no1,AHCLNEWPJUZBAX-UHFFFAOYSA-N
rxn:4:222287:222423,COc1c(-c2ccc(Cl)c(C(=O)N3CCN(c4ccc(-n5cncn5)nn4)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OWTLCRORECLBDD-UHFFFAOYSA-N
rxn:4:222362:222467,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(NC(=O)OC(C)(C)C)c7ccccc67)cc6[nH]ncc56)nn4)cn3c2)CC1,RLCDMZRLOZOGQH-UHFFFAOYSA-N
rxn:4:222362:222519,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(F)(F)F)ccc6NC(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,FEBDSPILGNRZAE-UHFFFAOYSA-N
rxn:4:222363:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)c(Cl)c1,HHFKRSYZCRVPRE-UHFFFAOYSA-N
rxn:4:222363:227540,COc1c(F)cc(SC)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,DCBRWXSWXCHCML-UHFFFAOYSA-N
rxn:4:222387:223868,COCc1cc(OCc2ccccc2)ccc1-c1cnc(N2CCOC(Cn3nnc4ncc(-c5cnn(C)c5)nc43)C2)nc1,NNGRMTLDJIMKCC-UHFFFAOYSA-N
rxn:4:184242:222389,CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,XUOQMFXNPQXLLP-UHFFFAOYSA-N
rxn:4:194709:223486,Cc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C)c1-c1ccc2c(c1)N(CC1CCCCC1)C(=O)CO2,RLCGZUPTPSZTCJ-UHFFFAOYSA-N
rxn:4:199734:222423,COc1c(-c2ccc(S(=O)(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccc(C)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HSISGCKJALEQAB-UHFFFAOYSA-N
rxn:4:199954:222423,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(S(C)(=O)=O)ccc21,GYELZPMXTUTQMZ-UHFFFAOYSA-N
rxn:4:199964:222423,CCCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,GUAKSGQHDTUWOQ-UHFFFAOYSA-N
rxn:4:200053:222465,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1,WVMCFHYIBCOCOB-UHFFFAOYSA-N
rxn:4:201163:222423,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)c1,ZUBJWIYVYDWSBX-UHFFFAOYSA-N
rxn:4:202318:222423,COc1c(-c2ccc(-c3nc(S(=O)(=O)c4ccc(C)cc4)c(N4CCOCC4)o3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RUKKDWPCSAYFJD-UHFFFAOYSA-N
rxn:4:202780:222423,COc1ccc(OC)c(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)c1,VZZXLDBXJSWTSG-UHFFFAOYSA-N
rxn:4:212737:223486,Cc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C)c1-c1cc(CN2CCOCC2)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1,CQDIFYQVRUHMOU-UHFFFAOYSA-N
rxn:4:218589:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(C#N)cc4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AECFTJAPXYYEHM-UHFFFAOYSA-N
rxn:4:219788:223570,COc1ccc2ncc3c(-c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1,NTPBEBLOTAZARW-UHFFFAOYSA-N
rxn:4:221575:223541,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,MHUZJRZEGCMIPW-UHFFFAOYSA-N
rxn:4:221776:224011,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,SPZLBBPZTMDONS-UHFFFAOYSA-N
rxn:4:221994:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)CC1,CFQBQYOZXJPQKI-UHFFFAOYSA-N
rxn:4:222096:222423,COc1c(-c2cnc(OCC3CCN(c4nc5cccnc5n4C)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LDALFMDZRHPOPJ-UHFFFAOYSA-N
rxn:4:222134:222701,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCNC6)cc(C(F)(F)F)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,UACGVXDEOLPKGG-UHFFFAOYSA-N
rxn:4:222144:225221,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(N3CCCC(C)C3)ncc2F)cc1,FRDXOUTZVVVFTP-UHFFFAOYSA-N
rxn:4:222202:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(-n3c(-c4cccc([N+](=O)[O-])c4)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)cc2)CC1,UOOYILRJKZSTBT-UHFFFAOYSA-N
rxn:4:222362:222676,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6CNC(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,NBTLVPNRQPCERH-UHFFFAOYSA-N
rxn:4:222362:224605,CCN(CC)C(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(OC)c1,DQPRASZCRINRDQ-UHFFFAOYSA-N
rxn:4:222362:224664,CN1CCN(Cc2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,FPBHUEAKMOTSLR-UHFFFAOYSA-N
rxn:4:222363:223972,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCCC5C)cc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IFASISRFHZFUIR-UHFFFAOYSA-N
rxn:4:222363:224061,CCCC1CCC(c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(F)c2)CC1,JXEQRUXJTPKSSN-UHFFFAOYSA-N
rxn:4:222363:224283,Cc1cc(CN2CCN(c3c(-c4cnc(OC(C)(C)C)nc4OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XRFZKYLKTRMWST-UHFFFAOYSA-N
rxn:4:222363:224679,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(C(=O)N5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZQVBNMSZKVSZKE-UHFFFAOYSA-N
rxn:4:222363:225082,Cc1cc(CN2CCN(c3c(-c4cc5nc(C)n(C(C)C)c5cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ADTUMAFXSCBLGE-UHFFFAOYSA-N
rxn:4:222363:226006,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(OCC(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OVNHTRFSFJNQJF-UHFFFAOYSA-N
rxn:4:222363:226106,Cc1cc(OCC(C)C)cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,CLFUXZOBBXEVCS-UHFFFAOYSA-N
rxn:4:222363:227456,CSc1nc2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2s1,WAFFLKKGOSWDIH-UHFFFAOYSA-N
rxn:4:188579:226280,CC(=O)C(C#N)c1cccc(-c2ccc(C#N)c(OC(C)C)c2)c1,CVEGXRVFDFHQRY-UHFFFAOYSA-N
rxn:4:191080:222423,COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2S1(=O)=O,FHLIXGVTWRHEPY-UHFFFAOYSA-N
rxn:4:197993:222423,COc1c(-c2ccc3c(c2)CN(c2c(C)cccc2C)C(=O)C(C)O3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MKXBZOMNSRNWMX-UHFFFAOYSA-N
rxn:4:199992:222465,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)c1OCC,PSZFSNHVYGQNNS-UHFFFAOYSA-N
rxn:4:201182:222439,O=C1c2oc3ccccc3c(=O)c2C(c2cccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)c2)N1CCCN1CCOCC1,MZRCZXWDOLFBHE-UHFFFAOYSA-N
rxn:4:202708:222389,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,KRUVAZUBJBWDRH-UHFFFAOYSA-N
rxn:4:202792:222423,CCOc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)on2)c1,KCQMJBVRFXMRHZ-UHFFFAOYSA-N
rxn:4:202800:222388,CC#Cc1cc2c(c(F)c1-c1cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,NMFUBBZWXJBHKM-HHHXNRCGSA-N
rxn:4:202800:222389,CC#Cc1cc2c(c(F)c1-c1cc(C3CCNCC3)nc(C3CCNCC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,XFRNGELFEUJYPP-MUUNZHRXSA-N
rxn:4:202808:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC,CCMHMBHSMTUMKY-UHFFFAOYSA-N
rxn:4:204905:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccnc2)N(Cc2ccco2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BVQSCFJIBRLUBP-UHFFFAOYSA-N
rxn:4:214388:222389,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c(OC)cc12)CC3,MQMDWXVBLRBORU-UHFFFAOYSA-N
rxn:4:218639:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4nc(-c5ccc(Cl)cc5)oc4C)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ANXAJNYYFOJUIG-UHFFFAOYSA-N
rxn:4:221277:222729,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,XYWQNUJZMPMJPC-UHFFFAOYSA-N
rxn:4:221277:224835,CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,PATKJRPPVKXVFW-UHFFFAOYSA-N
rxn:4:221750:223841,CC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc2)n(C)c1=O,BNZRBMPNWJJDQF-UHFFFAOYSA-N
rxn:4:221781:224398,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4C)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCCC1,NCQBJZFVIILFOD-UHFFFAOYSA-N
rxn:4:221929:222822,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)NC1CC1,GZFGVFNBWOPRMJ-UHFFFAOYSA-N
rxn:4:221961:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cncc(C(=O)N4CCC(Oc5ncc(-c6cnn(C)c6)cn5)CC4)c3)c(F)cc2C)CC1,XOOJWQZFABTJSL-UHFFFAOYSA-N
rxn:4:221986:224297,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc([N+](=O)[O-])ccc3Sc3ccccc3)cc2)CC1,DPWONJFKFXOTAE-UHFFFAOYSA-N
rxn:4:221995:223762,COC(=O)c1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(C)n(Cc2ccccc2)c1C,AANKOBFRQCNJTF-UHFFFAOYSA-N
rxn:4:221995:225203,Cc1cc(C2CC2)c(C(F)(F)F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,CCDIUDBSHNUDGJ-UHFFFAOYSA-N
rxn:4:221995:225860,Cc1nccn1-c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(Cl)c1,LMDKIDWRINWSFE-UHFFFAOYSA-N
rxn:4:222132:222466,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,BZVJGIKSPKTABX-UHFFFAOYSA-N
rxn:4:222138:223692,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)cc1,RPDXKXGAUWCMPK-UHFFFAOYSA-N
rxn:4:222143:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)CC1,YKGSCJTXCVWOJN-UHFFFAOYSA-N
rxn:4:222144:224988,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(C3CC3)cc2-n2ccnc2)cc1,BZMMFBUPJAQWDM-UHFFFAOYSA-N
rxn:4:222272:222423,COc1c(-c2cc(-c3noc(Cn4cnc5c(nnn5Cc5ccc(C)cc5)c4=O)n3)ccc2F)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DIWMBYDDARZNHF-UHFFFAOYSA-N
rxn:4:222362:222752,Cc1cc(NC(=O)OC(C)(C)C)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,BCOKKSJDNJLWEJ-UHFFFAOYSA-N
rxn:4:222362:224313,CN1CCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2Cl)CC1,UTIYGIMAOAQPLF-UHFFFAOYSA-N
rxn:4:222362:224496,CCN1CCN(Cc2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)CC1,MXKUVIMXJSNEQC-UHFFFAOYSA-N
rxn:4:222362:225996,CCOc1ncc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ONSVDLGMLATKDT-UHFFFAOYSA-N
rxn:4:222362:227540,COc1c(F)cc(SC)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,XZYNXNBYLJAAIM-UHFFFAOYSA-N
rxn:4:222363:223264,CNC(=O)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)ccc1F,ATSNQDODXRMCMV-UHFFFAOYSA-N
rxn:4:222363:223736,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5ccccc5)c(C(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KHFRNYPRFMNJSY-UHFFFAOYSA-N
rxn:4:222363:227143,COc1ccc2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)sc2c1,IXFBVAQZAWSXEH-UHFFFAOYSA-N
rxn:4:222363:227665,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ULHBVDDKDGDACP-UHFFFAOYSA-N
rxn:4:222363:228649,Cc1cc(C)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)c1,AENLEQJRFIUTEP-UHFFFAOYSA-N
rxn:4:222363:229076,Cc1cc(CN2CCN(c3c(-c4sc(C#N)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUWBPOCWKUSUNO-UHFFFAOYSA-N
rxn:4:184187:222423,COC(=O)C1=CN(c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2S1(=O)=O,IYEBOODVLWXTII-UHFFFAOYSA-N
rxn:4:187926:222423,COC(=O)Cn1c(-c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2C)c(C)c2cc(F)ccc21,IZEJLTNWGSWPEU-UHFFFAOYSA-N
rxn:4:187951:222423,COc1c(-c2cc(C(C)C)c(S(=O)(=O)Oc3ccc(Cl)c4cccnc34)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OMZPMLDSSCJUQI-UHFFFAOYSA-N
rxn:4:201182:222423,COc1c(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SBSTZXAPYQXARO-UHFFFAOYSA-N
rxn:4:202779:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nccs2)cc1OC,KGCRUXANTHJYMK-UHFFFAOYSA-N
rxn:4:202799:222389,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,BZERRAZGZXQUGS-UHFFFAOYSA-N
rxn:4:203359:222423,COc1c(-c2cc(-c3nc(C(F)(F)F)c[nH]3)cc(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YSDKFVZKAUPPRR-UHFFFAOYSA-N
rxn:4:204956:222389,Cc1cc(N2C(=O)c3oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)no1,OSZJUJHYGIDHJX-UHFFFAOYSA-N
rxn:4:204958:222389,Cc1csc(N2C(=O)c3oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)n1,MJBLGSLCZKYOPA-UHFFFAOYSA-N
rxn:4:207888:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(F)cc2)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OSYQSZXZCJRGLE-UHFFFAOYSA-N
rxn:4:213451:222423,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,PHHJFIRQHWPJSH-UHFFFAOYSA-N
rxn:4:213451:222730,CCCc1cc(-c2ccc3c(c2)C(=C2SC(=Nc4ccc(CC)cc4)N(c4ccc(CC)cc4)C2=O)C(=O)N3CC)cc(C2CCNCC2)n1,ZGMJJOKIMBCZEF-UHFFFAOYSA-N
rxn:4:218724:225116,CCCCOc1c(F)c(C)cc(-c2nc3c(c(=O)n(CC(=O)OCC)c(=O)n3C)n2Cc2ccc(Cl)cc2)c1F,ZNMJEXGUJFOZLQ-UHFFFAOYSA-N
rxn:4:218747:222389,CCCCc1nc(SCc2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,UIVRITCGFWITBB-UHFFFAOYSA-N
rxn:4:219619:222423,COc1c(-c2cnc3c(c2)c(C(=O)N(C)OC)nn3C2CCCCO2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IQTUCCDICIKBJT-UHFFFAOYSA-N
rxn:4:219741:222630,Cc1ccccc1-n1c(=O)c2sccc2n(Cc2nc(-c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)no2)c1=O,OGRCQMHQQAHYDW-UHFFFAOYSA-N
rxn:4:221257:223680,COC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(-c6cccc(C(F)(F)F)c6)cc5OC)cc4)c(=O)n(C)c3nc12,FFQUIAJGHUQQID-UHFFFAOYSA-N
rxn:4:221277:222538,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,MZSRLNRCOBMDMU-UHFFFAOYSA-N
rxn:4:221277:222622,CCC(C)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,SGGIEONTOYKEDE-UHFFFAOYSA-N
rxn:4:221277:222623,CCC(C)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,FVLYJUBAHNWKNS-UHFFFAOYSA-N
rxn:4:221277:223840,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,FEBQPDDTMQIBGN-UHFFFAOYSA-N
rxn:4:221277:224015,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCOCC1,XJVNUHFMHMIFFY-UHFFFAOYSA-N
rxn:4:221277:224180,CN1CCN(CCOc2ccccc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)CC1,RHNLVLUDUXKXRI-UHFFFAOYSA-N
rxn:4:221571:222466,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,CIVOCGUZQJXUAJ-UHFFFAOYSA-N
rxn:4:221759:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)CC1,JFTSNKJNSWHOJB-UHFFFAOYSA-N
rxn:4:221928:223845,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)ccc3OC)nnc12,GXMKOPCIFSBPKB-UHFFFAOYSA-N
rxn:4:221929:224148,Cc1ccc(OCc2cccc(F)c2)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c1,JTQRKDLRKXAWQT-UHFFFAOYSA-N
rxn:4:221995:225851,Cc1nccn1-c1cc(F)cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c1,HOCPDPSJPMEABB-UHFFFAOYSA-N
rxn:4:221995:226068,Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,OEDRSEZXMSKTER-UHFFFAOYSA-N
rxn:4:222144:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,CRSXYAXYNQETIS-UHFFFAOYSA-N
rxn:4:222144:224600,Cc1ccc(-c2cc(F)c(-c3ccc(-n4c(C)c(C)n5c6c(=O)n(CCN7CCCCC7)c(=O)n(C)c6nc45)cc3)cc2F)cc1,CJQWABZYTDENBX-UHFFFAOYSA-N
rxn:4:222195:222473,COc1cc(C(=O)NCc2ccccc2)ccc1-c1cccc(Cn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1,SUBSETMBTQHCKY-UHFFFAOYSA-N
rxn:4:222362:222388,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(NC(=O)Nc7ccc([N+](=O)[O-])cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GGQGJUNSLDQPPR-UHFFFAOYSA-N
rxn:4:222362:224180,CN1CCN(CCOc2ccccc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,XNZDGYZSUWTCIX-UHFFFAOYSA-N
rxn:4:222362:224235,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,NPLZHJJYTDZQKK-UHFFFAOYSA-N
rxn:4:222362:225888,Cc1nc2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c(F)c2n1C,UZXPABAHMQOJFU-UHFFFAOYSA-N
rxn:4:222363:222507,COc1ccc(NC(=O)c2ccc(F)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)cc1,GRMPUMPMKURJCL-UHFFFAOYSA-N
rxn:4:222363:223609,Cc1cc(CN2CCN(c3c(-c4cc5c(c6ccccc46)-c4ccccc4C5(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VBBGTZQRQGROFY-UHFFFAOYSA-N
rxn:4:222363:223941,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)CC(=O)N5C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZZJRWWWXOIRATA-UHFFFAOYSA-N
rxn:4:184240:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2F)N(CCCOC(C)C)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XGFZXJFVFOWGSQ-UHFFFAOYSA-N
rxn:4:185291:222423,COc1c(-c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CCS(=O)(=O)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KHKQPDGFRGIKEN-UHFFFAOYSA-N
rxn:4:185639:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2Cc2ccco2)cc1OC,XRPCXVLMVUNQLR-UHFFFAOYSA-N
rxn:4:185641:222423,COc1ccc(CCN2C(=O)c3oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c(=O)c3C2c2ccccc2)cc1,LBLRFCIXZRUPOO-UHFFFAOYSA-N
rxn:4:193593:223039,CC(C)NC(=O)c1cc(-c2ccccc2-c2ccc(N(C)C)cc2)ccc1F,JDOXWGAGRKNIRH-UHFFFAOYSA-N
rxn:4:197965:222423,COc1c(-c2ccc3c(C4=CCC5(CC4)OCCO5)c[nH]c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IBXYCCVFUKMVCD-UHFFFAOYSA-N
rxn:4:199821:222423,CCOc1ccc(N=C2SC(=Cc3ccc(OC)c(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3)C(=O)N2CC)cc1,AMRVFCUKOSHFQM-UHFFFAOYSA-N
rxn:4:200054:222465,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,BWVDGPJUJLWMJQ-UHFFFAOYSA-N
rxn:4:202800:222462,CC#Cc1cc2c(c(F)c1-c1c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c1F)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,WVMAUSBYRVRQKN-LJQANCHMSA-N
rxn:4:205721:222423,COc1c(-c2cnc(OC3COCC3(F)F)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QKZHFVIGEUPWSR-UHFFFAOYSA-N
rxn:4:212748:224579,Cc1cn(-c2ccc(C3CC3)c(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c2)cn1,PMTCHDHWQSNUDR-UHFFFAOYSA-N
rxn:4:212790:222389,COCCn1c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,YMYCAOOFTGEWQE-UHFFFAOYSA-N
rxn:4:212839:224155,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(C5CC5)cc(N5CCN(C)CC5)c4)ccn23)CC1,FPASJGMIBXKSAO-UHFFFAOYSA-N
rxn:4:212839:224588,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)cc(CN5CCC(C)CC5)c4)ccn23)CC1,UHVZUZMMSJNSTA-UHFFFAOYSA-N
rxn:4:213405:222389,Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)c3C)c2c1C,ZUTJGVDWPGHUNT-UHFFFAOYSA-N
rxn:4:219189:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,LOZAWHAYHDUJJQ-UHFFFAOYSA-N
rxn:4:219661:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cccc(Cl)c3)c(=O)n2C)n1C(C)C(C)=O,GYLDMKXOHNEAFR-UHFFFAOYSA-N
rxn:4:221109:222423,COc1c(-c2ccc(C3=NN(C(=O)CSc4nncn4C)C(c4ccc(C)cc4)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OWDURMPOJGPMGY-UHFFFAOYSA-N
rxn:4:221266:222423,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(C)c(C)n23)n(C)c1=O,KODVJTXDENQQAH-UHFFFAOYSA-N
rxn:4:221274:222850,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCNCC3)ccc2C#N)cc1,NPKFTGCBOMHPRP-UHFFFAOYSA-N
rxn:4:221277:222742,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCNCC4)nc(C4CC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,YIFDFENPZVVLSX-UHFFFAOYSA-N
rxn:4:221521:222423,COc1c(-c2cnc(OCC3CCCN(c4nc(C)nc5c4CCC5)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KXJCJXCOEDMRQL-UHFFFAOYSA-N
rxn:4:221570:222465,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,GXFAIMHXOCYEAL-UHFFFAOYSA-N
rxn:4:221572:224320,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1,QJGUUAOILIGXBU-UHFFFAOYSA-N
rxn:4:221928:223594,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(Cl)cc(N5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3OC)nnc12,XFRJODQYCXLGJK-UHFFFAOYSA-N
rxn:4:222362:222520,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(F)(F)F)c(NC(=O)OC(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,RRARHYDYHZWBHQ-UHFFFAOYSA-N
rxn:4:222362:222702,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCCNC7)ccc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,QNIMMRHPBJGVMP-UHFFFAOYSA-N
rxn:4:222362:224206,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCc6ccc(F)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GUIYGQDBHDLZHI-UHFFFAOYSA-N
rxn:4:222362:224615,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(OCCN7CCOCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GSQAHXIUNCQEJA-UHFFFAOYSA-N
rxn:4:222362:225170,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6CN6CCOCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,XCUDDJOXIBYLGI-UHFFFAOYSA-N
rxn:4:222363:223841,Cc1cc(CN2CCN(c3c(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SDMHZUPDWCGNNY-UHFFFAOYSA-N
rxn:4:222363:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,FUPOTIRZPJPXRW-UHFFFAOYSA-N
rxn:4:222363:225983,Cc1cc(CN2CCN(c3c(-c4cnn(-c5ccc(F)c(F)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BIAKGPXDVBCFNA-UHFFFAOYSA-N
rxn:4:222363:228242,COc1cc(F)c(C)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,MBKIEJQBNQKGTI-UHFFFAOYSA-N
rxn:4:222363:228861,Cc1cc(CN2CCN(c3c(-c4cnc5scnc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GGLMUNDDGLJBMT-UHFFFAOYSA-N
rxn:4:184006:222423,COc1ccc(C(=O)N(c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)C2C=CS(=O)(=O)C2)cc1OC,RPOUIZSXNNROTB-UHFFFAOYSA-N
rxn:4:184153:222423,COc1c(-c2ccccc2Oc2coc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3c2=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YOPOCKKESBGOHD-UHFFFAOYSA-N
rxn:4:184205:222423,COc1c(-c2cc(OCc3ccccc3)c3c(c2F)CCN(C(=O)OC(C)(C)C)C3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZBTOIOPWISCSGH-UHFFFAOYSA-N
rxn:4:185588:222423,COc1c(-c2ccccc2Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PSXANMCAXCRVHT-UHFFFAOYSA-N
rxn:4:188017:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(SC)cc2)N(Cc2ccco2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DYTDHIYCNOFYSZ-UHFFFAOYSA-N
rxn:4:200634:222423,COc1cc(S(=O)(=O)N2CCN=C2c2ccccc2)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,IHNSJLUFCVTFCB-UHFFFAOYSA-N
rxn:4:201184:222389,O=C1c2oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3c(=O)c2C(c2ccccc2)N1CCCN1CCOCC1,ZOFPKBYLKHERDB-UHFFFAOYSA-N
rxn:4:201184:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)c(F)ncc21,TUDTXELWQLPIRD-UHFFFAOYSA-N
rxn:4:204735:222423,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c3ccccc23)CC1,GMZFACIMVIXOMT-UHFFFAOYSA-N
rxn:4:204957:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(c2cccc(C)n2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,UCECFVCXKZWKJI-UHFFFAOYSA-N
rxn:4:207851:222423,COc1c(-c2ccc(N3C(=O)N(c4cccc(C)c4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KHTTWTJVEVWDSY-UHFFFAOYSA-N
rxn:4:214388:222538,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)c(OC)cc12)CC3,NCNRAWMZZXZIOZ-UHFFFAOYSA-N
rxn:4:219708:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)n1CC(C)=O,PIMPARHTWUMHMD-UHFFFAOYSA-N
rxn:4:221188:226032,COc1cc(-c2cnc(OCC3CCCN(c4ccnc(C(C)C)n4)C3)nc2)c(F)c(C(F)(F)F)c1,XYYDYXWSBLSOHH-UHFFFAOYSA-N
rxn:4:221565:223845,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1Cc1ccco1,UXPXMCNFZHEFPZ-UHFFFAOYSA-N
rxn:4:221747:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(F)cc3)n(C)c2=O)cc1,WUFDDHNRMYLYNT-UHFFFAOYSA-N
rxn:4:221754:222462,Cc1cccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3)c(=O)n2C)c1,XHHAZOKOQLLYMD-UHFFFAOYSA-N
rxn:4:221784:223845,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)n(C)c2=O)c1,OGSDJUYYYJMXSG-UHFFFAOYSA-N
rxn:4:221910:222423,COc1c(-c2ccc(-c3nc(/N=C/N(C)C)c(C#N)c(C#N)c3C#N)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YDQXIUPWEFJVMZ-ZLNXIQNYSA-N
rxn:4:221928:223534,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)ccc3OC)nnc12,RVCOASBIXUQZLW-UHFFFAOYSA-N
rxn:4:221929:223720,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(OCc6ccccc6)cc6ccccc56)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,UPQRIBSFWFAMPZ-UHFFFAOYSA-N
rxn:4:221994:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,ATNVWUWXLSONRU-UHFFFAOYSA-N
rxn:4:221995:224822,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(-c6cncs6)cc(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,YMSKBMVGWXCQLG-UHFFFAOYSA-N
rxn:4:222134:222985,COc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(C6CCCNC6)nc5C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,DYZVUEQUFRGMRJ-UHFFFAOYSA-N
rxn:4:222137:224234,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)c(F)cc2F)cc1,SDJASIPTTXRWKG-UHFFFAOYSA-N
rxn:4:222205:223474,Cc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,QWRSQTVWTBOMLG-UHFFFAOYSA-N
rxn:4:222205:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c5c(=O)n(C)c(=O)n(C)c5n5c(-c6ccc(C)cc6)nnc45)cc3)c(F)cc2C)CC1,WUNLKFALONKYDU-UHFFFAOYSA-N
rxn:4:222362:222521,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,NTFBSVJMZFTCOE-UHFFFAOYSA-N
rxn:4:222362:224036,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc(C(C)(C)C)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,BCCMNDYXMPGKLM-UHFFFAOYSA-N
rxn:4:222362:224292,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1S(=O)(=O)OCC(C)(C)C,KGXRAOTUCDAXTQ-UHFFFAOYSA-N
rxn:4:222362:224651,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cccc6O[Si](C)(C)C(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,BFHWRHJDNCPOAB-UHFFFAOYSA-N
rxn:4:222363:224139,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5cccc(Cl)c5)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VBZIKEKQYBTORX-UHFFFAOYSA-N
rxn:4:222363:224217,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5ccccc5)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUTSEFVGPAOSCG-UHFFFAOYSA-N
rxn:4:222363:224655,Cc1cc(CN2CCN(c3c(-c4ccc(O[Si](C)(C)C(C)(C)C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AOCCCPKPLBUIIE-UHFFFAOYSA-N
rxn:4:222363:224708,Cc1cc(CN2CCN(c3c(-c4ccc5cc(OC(F)(F)F)ccc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KGQWFULUYAHQHF-UHFFFAOYSA-N
rxn:4:222363:225199,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OC5CCCC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,STEZKFNSGSJTFQ-UHFFFAOYSA-N
rxn:4:183918:222423,COc1ccc(COc2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2S(=O)(=O)N(C)C)cc1,AIBPMYLJLZACDZ-UHFFFAOYSA-N
rxn:4:184143:222423,CCCOc1cc(S(=O)(=O)Oc2cccc3cccnc23)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,PCRPODWTNZCARJ-UHFFFAOYSA-N
rxn:4:185263:222423,COc1cc(N2CCC(C(OC)OC)CC2)cc(F)c1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,QARVNZZUJKUNHX-UHFFFAOYSA-N
rxn:4:190584:222423,CCOC(=O)c1cc2c(Cl)cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2[nH]1,XDFQZXIUKYULGD-UHFFFAOYSA-N
rxn:4:199980:222423,CCOC(=O)Cn1c(=NC(=O)C2CCCCC2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,JMFFTJUEMGEPBR-UHFFFAOYSA-N
rxn:4:200025:222423,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,KACMRWJDJJPLPQ-UHFFFAOYSA-N
rxn:4:200065:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)OCCN4C(=O)c5cccc6c(N7CCCCC7)ccc(c56)C4=O)cc3)c(F)ncc21,HCRSTSINMXUOQL-UHFFFAOYSA-N
rxn:4:201123:222423,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,CHVIKAPMTRQAPG-UHFFFAOYSA-N
rxn:4:201189:223503,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2c(F)cc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1,MBXVQMKGZXJBGD-UHFFFAOYSA-N
rxn:4:202068:222423,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,CDLNCLMSVRXDNU-UHFFFAOYSA-N
rxn:4:202277:222423,COc1c(-c2ccc(CN3CCC(C(F)(F)F)CC3)c(N3CCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QXZCJNPVSCXXBV-UHFFFAOYSA-N
rxn:4:204875:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc([N+](=O)[O-])cc6)C(=O)C45)cc3)c(F)ncc21,OZOSDXHVGIORPZ-UHFFFAOYSA-N
rxn:4:212790:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc3c(c2)sc(=NC(=O)c2cc4cc([N+](=O)[O-])ccc4s2)n3CCOC)CC1,FOCDPYOKXDUIMU-UHFFFAOYSA-N
rxn:4:218728:222423,COc1c(-c2ccc3nc(N(CCN(C)C)C(=O)c4ccc5ncsc5c4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YIDCPQJLVFFZGJ-UHFFFAOYSA-N
rxn:4:219189:222461,COc1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,UUDFOCMOQLVGFP-UHFFFAOYSA-N
rxn:4:219189:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(OC)c(-c3nc(Cn4ccn5nc(-c6ccc(C)c(C)c6)cc5c4=O)c(C)o3)c2)CC1,RRJNJAHSZZNROB-UHFFFAOYSA-N
rxn:4:220558:222423,COc1c(-c2cc3c(s2)-n2c(nnc2C2CCCCC2)CN=C3c2ccccc2Cl)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DSBFGTHSSCXODO-UHFFFAOYSA-N
rxn:4:221570:223845,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,HPZRVRPSMVVGBO-UHFFFAOYSA-N
rxn:4:221776:222524,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,CCFUHDSPGUOMOB-UHFFFAOYSA-N
rxn:4:221928:223523,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(S(=O)(=O)N5CCN(CC)CC5)c5ccccc45)ccc3OC)nnc12,HWBNFWUTTPCLML-UHFFFAOYSA-N
rxn:4:221990:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)c(-c4nnc5n(CCC(C)C)c6c(=O)n(C)c(=O)n(C)c6n45)c3)c3ccccc23)CC1,HXVPSYOEKUOYPI-UHFFFAOYSA-N
rxn:4:221995:222452,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)c(NC(=O)OCc6ccccc6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,FSYSSZSAUXQHLY-UHFFFAOYSA-N
rxn:4:221995:223866,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccccc5CN5C(C)(C)CCCC5(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OTWMLKDHFPCJFM-UHFFFAOYSA-N
rxn:4:222135:223994,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,OPVVCCQRNTZNOT-UHFFFAOYSA-N
rxn:4:222137:222423,COc1c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YZNGPLPBYKFEKA-UHFFFAOYSA-N
rxn:4:222144:223692,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)cc1,MAVYEQCJXLKHRY-UHFFFAOYSA-N
rxn:4:222144:225588,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2CN2CCSCC2)cc1,SCJAAHPLXJUKLX-UHFFFAOYSA-N
rxn:4:222250:224398,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCn6ccnc6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCCC1,GJNUOOAIZPFTCN-UHFFFAOYSA-N
rxn:4:222272:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(C)cc4)c3=O)n2)ccc1F,WAIMGLAPYMAHLT-UHFFFAOYSA-N
rxn:4:222305:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(Cl)cc5)CC4)o3)c(F)ncc21,MLEQKMGYGHHXEL-UHFFFAOYSA-N
rxn:4:222362:222780,CN(C)CCNC(=O)c1cc(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,FYXMYZLYDQHMFM-UHFFFAOYSA-N
rxn:4:222362:224645,COc1cc(C(=O)N2CCCC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,VDMYEPBKKLZHMM-UHFFFAOYSA-N
rxn:4:222362:228312,COc1cnc(C#N)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,HYOGMUMDICCNRB-UHFFFAOYSA-N
rxn:4:222363:222459,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)Nc5ccc([N+](=O)[O-])cc5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WTTMNRVBKVYSTF-UHFFFAOYSA-N
rxn:4:222363:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,GFPCIGQUPFCLPX-UHFFFAOYSA-N
rxn:4:222363:222848,CCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCCNC2)n1,IMBOGMMSYKWICA-UHFFFAOYSA-N
rxn:4:222363:223544,Cc1cc(CN2CCN(c3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DTXXQXZVAUBORO-UHFFFAOYSA-N
rxn:4:222363:226134,Cc1cc(CN2CCN(c3c(-c4cc(C#N)cc(C5CC5)c4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZYZAJQFIQLCACV-UHFFFAOYSA-N
rxn:5:181854:227393:227611,CC(C)(C)c1ccc(-c2ccnn2C2CCCCO2)c(-c2ncc(-c3ccccc3)s2)c1,NXYSZULRQHLYNU-UHFFFAOYSA-N
rxn:4:183955:222423,COc1c(-c2ccc(S(=O)(=O)c3nc(-c4ccco4)oc3SCc3ccccc3F)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RVOWFYVTALARCE-UHFFFAOYSA-N
rxn:4:184182:222423,COc1ccc(CCC(=O)N2C3CCC2CC(SC)C3)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,RMAKCVMTFBLWBX-UHFFFAOYSA-N
rxn:4:184217:222423,COc1cccc(CN(C(=O)c2oc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3c2C)C2CCS(=O)(=O)C2)c1,MPEWFFCRCWJZLR-UHFFFAOYSA-N
rxn:4:185563:222423,COc1c(-c2ccccc2Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IRVHRPGMPGKVJN-UHFFFAOYSA-N
rxn:4:199868:223570,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)=NC23CCCC3)cc(OC)c1OC,QIINIEGOAYZJCT-UHFFFAOYSA-N
rxn:4:200054:223491,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c2)cc1,FAKYAVOGNBSOBZ-UHFFFAOYSA-N
rxn:4:200835:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(OCc4ccc(Cl)cc4)c(C=C4SC(N5CCOCC5)=NC4=O)c3)c(F)ncc21,GRNQFNFJWIXUQH-UHFFFAOYSA-N
rxn:4:202804:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4c5c(oc6ccccc6c5=O)C(=O)N4CCN4CCOCC4)cc3)c(F)ncc21,MIQGPHVVZMYPGP-UHFFFAOYSA-N
rxn:4:204930:223570,CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)nc1C,ODRFGPIBFMQDHI-UHFFFAOYSA-N
rxn:4:212751:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c2)c1,FAKJHDLFERIXBG-UHFFFAOYSA-N
rxn:4:217139:222423,COc1c(-c2cnc(N3CCC(F)(F)C3)c(C)n2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VTPFBKIJDPIODA-UHFFFAOYSA-N
rxn:4:219129:222423,COc1c(-c2cnc(OCC3CCCN(Cc4nc5c(s4)CCC5)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RZMYOTPNNKSMIU-UHFFFAOYSA-N
rxn:4:219189:222486,COc1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,HOPMVCBIUGJKNU-UHFFFAOYSA-N
rxn:4:219189:222524,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,QNWNITULDVASJD-UHFFFAOYSA-N
rxn:4:219189:223992,COc1ccc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,OHILHWJDSPXMJN-UHFFFAOYSA-N
rxn:4:219791:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(-n4c(SCc5nc6ccccc6[nH]5)nc5sc6c(c5c4=O)CCCC6)cc3)c(F)ncc21,HRTJMLVEOALUGP-UHFFFAOYSA-N
rxn:4:221273:222621,CC(C)Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5CCc4ccccc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,FJCNOJRIJRBATB-UHFFFAOYSA-N
rxn:4:221277:222465,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,SDHSPCVIJLNODL-UHFFFAOYSA-N
rxn:4:221277:224016,CN(C)S(=O)(=O)n1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)c(-c2ccccn2)n1,QLOLBUFMYYPKIG-UHFFFAOYSA-N
rxn:4:221491:222423,COc1c(-c2cnc(N3CC4CCCC4(COc4ncc(F)cn4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ISGJCKNMPVGKPO-UHFFFAOYSA-N
rxn:4:221539:224196,CCN1CCN(Cc2cc(F)cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c2)CC1,SGRBUWDWGZIORT-UHFFFAOYSA-N
rxn:4:221570:222741,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,JDQNUPPDKXHVNE-UHFFFAOYSA-N
rxn:4:221758:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)CC1,XYOUSGQYGSUTJQ-UHFFFAOYSA-N
rxn:4:221758:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5Cl)c(=O)n4C)cc3)c2)CC1,XVTNHBICILYROG-UHFFFAOYSA-N
rxn:4:221786:222612,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)c(=O)n2C)cc1C,RPOSDSRKLYZSIM-UHFFFAOYSA-N
rxn:4:222144:225542,CCCCCc1ccc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)c(F)c1F,MSJVYTXRKOAZQV-UHFFFAOYSA-N
rxn:4:222362:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,XCOIFCGCYHCMMF-UHFFFAOYSA-N
rxn:4:222362:223815,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)c(CN7CCC8(CC7)OCCO8)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,BVATVZOYHSMJKD-UHFFFAOYSA-N
rxn:4:222362:224359,CCN(CC)C(=O)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc([N+](=O)[O-])c1,XNLKVMMMCCKGSY-UHFFFAOYSA-N
rxn:4:222362:224572,CC1CCCN(c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(C#N)c2)C1,KTTCYRLIKYBCAD-UHFFFAOYSA-N
rxn:4:222362:225994,CCSc1ncc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,AYWRVXONRINBIU-UHFFFAOYSA-N
rxn:4:222363:222623,CCC(C)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCNCC2)n1,PVWXCYZAAXCMSM-UHFFFAOYSA-N
rxn:4:222363:228636,Cc1cc(CN2CCN(c3c(-c4c(C)cc(F)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IUJCLSDKXARPBN-UHFFFAOYSA-N
rxn:5:198495:226333:223008,O=C1C=c2c(-c3cc(C4CCNCC4)ccc3F)cc(-c3cccc(C(=O)N4CCC4)c3)cc2=N1,OCWBIDPPHVZKHC-UHFFFAOYSA-N
rxn:4:184155:222423,CCCOc1cc(S(=O)(=O)Oc2cccc3ccc(C)nc23)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,IACHQCORIJEAJT-UHFFFAOYSA-N
rxn:4:185601:222423,COc1c(-c2ccc3c(C)c(C(=O)N(Cc4ccccc4F)C4CCS(=O)(=O)C4)oc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YIHRTJHRWZJNFC-UHFFFAOYSA-N
rxn:4:185918:222423,COC(=O)c1cc(C#N)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)(F)F,PRQNEASPAWGVJS-UHFFFAOYSA-N
rxn:4:188005:223570,COc1ccc(CN2C(=O)C3C(c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1,WEFSJNGFCSWHEM-UHFFFAOYSA-N
rxn:4:188024:222389,CC(C)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2Cc2ccco2)cc1,LEGCEZWJXVEPQD-UHFFFAOYSA-N
rxn:4:194792:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(Cl)cc6)C(=O)C45)cc3)c(F)ncc21,XSRMTMYGZMVOHK-UHFFFAOYSA-N
rxn:4:200029:222423,COc1c(-c2ccc(Cn3cc(SCC(=O)N4CCC(C)CC4)c4ccccc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JKXRBNZGMPIWBW-UHFFFAOYSA-N
rxn:4:201183:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4c5c(oc6ccccc6c5=O)C(=O)N4CCCN4CCOCC4)cc3)c(F)ncc21,CSWDFRNCIFNVCR-UHFFFAOYSA-N
rxn:4:201186:223529,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c(F)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,SRTKCEZVAITPMZ-UHFFFAOYSA-N
rxn:4:201186:223570,CCCOc1ccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,NOJNNBFPJPWQMD-UHFFFAOYSA-N
rxn:4:202289:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C(=O)N2CCCN(C3CCSC3)CC2)c1,NBTWYPWMOHLINR-UHFFFAOYSA-N
rxn:4:202481:222423,CCOC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cn12,YLEQKSBUTPSHOY-UHFFFAOYSA-N
rxn:4:202716:223570,COc1cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc2cc(C(=O)N3CCN(c4ccccc4)CC3)c(=O)oc12,WFUDXDUYJWQYHJ-UHFFFAOYSA-N
rxn:4:202808:222465,COc1cccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC,BGUBXZRCPIGBSO-UHFFFAOYSA-N
rxn:4:204840:222423,COc1c(-c2ccc(N3C(=O)CSC34C(=O)N(Cc3ccc(F)cc3)c3ccccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OLZOUTTWYDBRAA-UHFFFAOYSA-N
rxn:4:204907:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccncc2)N(Cc2ccco2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AZLRJLDCPYDFOD-UHFFFAOYSA-N
rxn:4:206411:222423,COc1c(-c2ccc(C3(C#N)CCOCC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HDHJRAABRHLRTG-UHFFFAOYSA-N
rxn:4:218774:223827,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(C(F)(F)F)ccc6N6CCN(CC)CC6)ccc5OC)oc4C)ccn3n2)cc1,DAHBGKWGOUSPLF-UHFFFAOYSA-N
rxn:4:218786:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1cccc2c3c([nH]c12)CCN(C(=O)CCC(=O)N1CCN(S(C)(=O)=O)CC1)C3,TZNHAVZVDITECM-UHFFFAOYSA-N
rxn:4:219189:224198,CCN1CCN(Cc2ccc(-c3ccc(OC)c(-c4nc(Cn5ccn6nc(-c7ccc(C)c(C)c7)cc6c5=O)c(C)o4)c3)c(F)c2)CC1,SIWJWJJPNYCDOC-UHFFFAOYSA-N
rxn:4:219189:224950,COc1ccc(-c2ccc(OC)c(-c3nc(Cn4ccn5nc(-c6ccc(C)c(C)c6)cc5c4=O)c(C)o3)c2)c(CN2CCCC2)c1,DZSGWZCMUQIJBC-UHFFFAOYSA-N
rxn:4:221258:222423,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(C)cn23)n(C)c1=O,NDRIOSVWOINYDL-UHFFFAOYSA-N
rxn:4:221538:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)CC1,SBPJBYRNSDMSGJ-UHFFFAOYSA-N
rxn:4:221570:222466,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,UZNHNAASWSNHEN-UHFFFAOYSA-N
rxn:4:221756:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccccc4)n(C)c3=O)cc2)CC1,DKMDLYQSARGKRR-UHFFFAOYSA-N
rxn:4:221928:224670,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(CN5CCN(C)CC5)ccc4F)ccc3OC)nnc12,QKPMXJHPUCIDNY-UHFFFAOYSA-N
rxn:4:221986:222429,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(CNC(=O)c4ccc(F)cc4C(F)(F)F)cc3)cc2)CC1,DLEIGDHYHHYOEM-UHFFFAOYSA-N
rxn:4:222094:222423,COc1c(-c2cnc(OCC3CCCN(c4nc5cccnc5n4C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ISGSCKUROGNSPW-UHFFFAOYSA-N
rxn:4:222134:222705,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCNCC6)cc(C(F)(F)F)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,NKOCTVJNSBTCIF-UHFFFAOYSA-N
rxn:4:222144:225266,CCCOc1ccc(C(F)(F)F)cc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,GDQNLVMGKOOXEH-UHFFFAOYSA-N
rxn:4:222188:222423,CCc1ncnc(N2CC3CN(c4ncc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cn4)CC3C2)c1F,HYLJBAOOHQSISW-UHFFFAOYSA-N
rxn:4:222205:223840,COc1ccc(-c2ccc(Cn3c4c(=O)n(C)c(=O)n(C)c4n4c(-c5ccc(C)cc5)nnc34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,OXZUTDXGTFGOBC-UHFFFAOYSA-N
rxn:4:222362:222505,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(C(=O)NCc7cccc(F)c7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,RXSGMCLPKQWZIH-UHFFFAOYSA-N
rxn:4:222362:222680,COc1c(NC(=O)OC(C)(C)C)cccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,XPXKMEMXTJUSRM-UHFFFAOYSA-N
rxn:4:222362:223583,COC(=O)c1ccc2c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cn(C(=O)OC(C)(C)C)c2c1,IHRVNIUHQBWBOG-UHFFFAOYSA-N
rxn:4:222362:224134,Cc1cc(OCc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)ccc1Cl,WTUCIASVPQVZEN-UHFFFAOYSA-N
rxn:4:222362:225321,CCOC(=O)c1cnn2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cnc12,HZKCFMQFLDUMGM-UHFFFAOYSA-N
rxn:4:222363:223635,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RHAQMQWXMIHWIV-UHFFFAOYSA-N
rxn:5:188411:226964:227185,CCOC(=O)c1ncc(-c2ccc3cc(F)ccc3c2)cc1-c1ccc2c(c1)N(C)CCO2,UFJIEYXSZROCLQ-UHFFFAOYSA-N
rxn:4:184157:222423,CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)coc2c1,YJTJNUDUSROVLK-UHFFFAOYSA-N
rxn:4:184407:222423,COC(=O)Cc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C#N)cc1C(F)F,LHBDNDVTHXFLIG-UHFFFAOYSA-N
rxn:4:191136:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6cccc(C(F)(F)F)c6)C(=O)C45)cc3)c(F)ncc21,ZXSRLSVILRCXER-UHFFFAOYSA-N
rxn:4:194794:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(F)cc6)C(=O)C45)cc3)c(F)ncc21,ARYIOEFJEICMCX-UHFFFAOYSA-N
rxn:4:199929:222389,CCn1c(=NC(=O)CCOc2ccccc2)sc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,RLNDFBLBMZRWBH-UHFFFAOYSA-N
rxn:4:200257:228680,CCCn1nc(C)cc1-c1cc([N+](=O)[O-])c(OC)cc1N(CC)CC,GFTSQPFQTAWENJ-UHFFFAOYSA-N
rxn:4:201107:223570,COC(=O)CN1C(c2ccccc2Cl)=Nc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2C1c1ccccc1,PJJNVNWYZYPDPF-UHFFFAOYSA-N
rxn:4:201147:222423,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,WVDGETNAXHRSLZ-UHFFFAOYSA-N
rxn:4:201180:223596,Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(-c3ccc(Cl)cc3N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCCC4)cc1,HIJDHXCTJAJZDQ-UHFFFAOYSA-N
rxn:4:201184:223527,CC(C)(C)OC(=O)N1CCN(Cc2cc(F)ccc2-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)CC1,KVKVIFDPQMZHHB-UHFFFAOYSA-N
rxn:4:201184:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)cnc21,FJMQZMUJDGLQKC-UHFFFAOYSA-N
rxn:4:201186:223557,CCCOc1ccc(C2c3c(oc4ccc(-c5c(F)ccc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,TUUOJOOIROCNTH-UHFFFAOYSA-N
rxn:4:201665:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)n1cnc(C)c1,RKWLDBHKLVPMBY-UHFFFAOYSA-N
rxn:4:202800:222600,CC#Cc1cc2c(c(F)c1-c1ccc3nc(NC(=O)OC(C)(C)C)sc3c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,PHYDBHKEXGVKRX-JOCHJYFZSA-N
rxn:4:204916:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccncc2)N(Cc2ccccc2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JHPPVTAYTZFCRZ-UHFFFAOYSA-N
rxn:4:204951:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YUNSNZGPZMRLFE-UHFFFAOYSA-N
rxn:4:215283:223570,Cc1cccc(N2C(=O)c3oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c(=O)c3C2c2ccc([N+](=O)[O-])cc2)n1,YEJZDWMQACTWSE-UHFFFAOYSA-N
rxn:4:218774:222524,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC(O)CC6)ccc5OC)oc4C)ccn3n2)cc1,HQVLARHWHVJFBM-UHFFFAOYSA-N
rxn:4:218785:223694,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)cc1-2,QAZLXFVYJXYJAC-UHFFFAOYSA-N
rxn:4:219183:223845,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)c(C)o1,BADSFADQKMJZEI-UHFFFAOYSA-N
rxn:4:221269:223680,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(-c4cccc(C(F)(F)F)c4)cc3OC)cc2)n(C)c1=O,FCWOVCJDEXKOMN-UHFFFAOYSA-N
rxn:4:221539:223570,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)CC(C)O1,YJRVMEKNYCLIQN-UHFFFAOYSA-N
rxn:4:221758:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HCOORJYIFMUTTD-UHFFFAOYSA-N
rxn:4:221774:223845,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)n(C)c1=O,QMNZHLPPQUBXML-UHFFFAOYSA-N
rxn:4:221781:224016,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)c1C,NIJRBCFLXJNWLF-UHFFFAOYSA-N
rxn:4:221929:223480,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,LKZOAGCFZPZBOO-UHFFFAOYSA-N
rxn:4:221929:223657,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)c3cnccc32)cc1,KTAJXOKTDVRFNX-UHFFFAOYSA-N
rxn:4:221987:223557,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(F)ccc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc3OC)nnc12,RTOKVCCXSODRMZ-UHFFFAOYSA-N
rxn:4:221988:223530,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3OC)nnc12,GJCWOUBOLCDGEZ-UHFFFAOYSA-N
rxn:4:221995:224304,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)ccc(O[Si](C)(C)C(C)(C)C)c5Cl)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,CWSOUAWRWWPSDN-UHFFFAOYSA-N
rxn:4:222126:223510,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)CC1,HJQJUWDYJWSFSD-UHFFFAOYSA-N
rxn:4:222278:222423,COc1c(-c2ccc(C(=O)N3CCN(c4ncnc5c4nnn5Cc4ccccc4)CC3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DXMVXUHZJUCYSR-UHFFFAOYSA-N
rxn:4:222362:223707,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,DNESUUKLVRVPAT-UHFFFAOYSA-N
rxn:4:222362:224127,CCN1CCN(C(C)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)CC1,BLXYXRFRTYTLGL-UHFFFAOYSA-N
rxn:4:222363:228316,CCOc1ncc(Cl)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,YKRSXANHDPETNI-UHFFFAOYSA-N
rxn:4:185602:222423,COc1c(-c2ccc3c(C)c(C(=O)N(Cc4cccc(F)c4)C4CCS(=O)(=O)C4)oc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OWHDKIAYOXJKET-UHFFFAOYSA-N
rxn:4:200050:223570,COC(=O)CSc1nc(-c2ccccc2)nc2c1Cc1cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc(OC)c1O2,KFTJPDOJNIKHGX-UHFFFAOYSA-N
rxn:4:201186:223532,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,MMYNHIQOKJQKMK-UHFFFAOYSA-N
rxn:4:212741:223754,CC1CCN(CCCOc2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c(N4CCCC4)c3)cc2Cl)CC1,IAOTZHQFAFIIIE-UHFFFAOYSA-N
rxn:4:213451:223841,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZMMMQIDENQVOOQ-UHFFFAOYSA-N
rxn:4:213451:224196,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(F)cc(CN6CCN(CC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,DHYAFSVGHCKNQF-UHFFFAOYSA-N
rxn:4:214338:223570,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cccc43)C2=O)cc1,HLWDTHNOUCMBBD-UHFFFAOYSA-N
rxn:4:214388:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c(F)cc2C)CC1,XTVPUSPBBDSLHB-UHFFFAOYSA-N
rxn:4:219701:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccc(Cl)cc1,XFYIJXWDUUWPRT-UHFFFAOYSA-N
rxn:4:221275:222846,CC1CN(c2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,UOYDZWIPSYTRKF-UHFFFAOYSA-N
rxn:4:221275:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)c(F)cc2C)CC1,WYXNCDJLYMALMM-UHFFFAOYSA-N
rxn:4:221277:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,SCDBWWNJQBYGIJ-UHFFFAOYSA-N
rxn:4:221539:222517,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(F)c(C(=O)Nc4ccc(F)c(Cl)c4)c3)cc2)CC(C)O1,WDAQBPPRBRNFCB-UHFFFAOYSA-N
rxn:4:221539:224668,CCN1CCN(c2cc(F)cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c2)CC1,VPSQSJQZHXFOBU-UHFFFAOYSA-N
rxn:4:221565:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n(Cc7ccco7)c(C)c(C)n56)n(C)c4=O)cc3)c(F)cc2C)CC1,BKZYMGBVWOEFMD-UHFFFAOYSA-N
rxn:4:221570:222389,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,WCNHQHDVUBNGQE-UHFFFAOYSA-N
rxn:4:221570:222628,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,ITHSFAVECACWFP-UHFFFAOYSA-N
rxn:4:221571:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)CC1,BTJXDZNYFKJQCT-UHFFFAOYSA-N
rxn:4:221758:223818,Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2c(F)cc(F)c3c2ccn3C(=O)OC(C)(C)C)cc1,QQKOJNKIOUSOHO-UHFFFAOYSA-N
rxn:4:221777:222628,CC1CN(c2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,GRWUJZMTYADNBJ-UHFFFAOYSA-N
rxn:4:221786:224016,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)cc1C,BHXKBHHYGDFZKO-UHFFFAOYSA-N
rxn:4:221787:224016,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)c1,WZGIMRRQLBYZMV-UHFFFAOYSA-N
rxn:4:221988:223529,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)ccc3OC)nnc12,ZUIRHRZTCVMVEG-UHFFFAOYSA-N
rxn:4:221990:222524,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,KNRJWEULYNASSP-UHFFFAOYSA-N
rxn:4:221994:223605,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Oc6ccc(C(F)(F)F)cc6[N+](=O)[O-])cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,DJEFNODRVHFGPC-UHFFFAOYSA-N
rxn:4:221995:223617,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,QMCOOHIEFMIMLM-UHFFFAOYSA-N
rxn:4:221995:224281,COc1cc(OC)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)c(OC)nc2c1,ASENPTDVTWXVHT-UHFFFAOYSA-N
rxn:4:221995:225870,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)cc(N6CCOCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,LVOASXTWSYXZRI-UHFFFAOYSA-N
rxn:4:222134:223503,COc1ccc(-c2nnc3n(Cc4ccc(-c5c(F)cc(OC6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,GAMAAZIWAPAVFX-UHFFFAOYSA-N
rxn:4:222362:222655,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)NC7CCCCC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,NTPHSVQXJMMSML-UHFFFAOYSA-N
rxn:4:222362:223501,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,UPTSQEZZORUVNW-UHFFFAOYSA-N
rxn:4:222362:225356,CCOc1ccc(C(F)(F)F)c(F)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RFPPJXSNGOVQBZ-UHFFFAOYSA-N
rxn:4:222362:228239,COc1nc(C)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1C,YKNHAKJIPWVRMI-UHFFFAOYSA-N
rxn:4:222363:223682,Cc1cc(CN2CCN(c3c(-c4c(C(F)(F)F)ccc5c4cnn5C4CCCCO4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QEPRRNMWWQLGAO-UHFFFAOYSA-N
rxn:4:222363:223684,Cc1cc(CN2CCN(c3c(-c4cc(OCc5cccnc5)ccc4OC(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KEASPYAGSWUZRD-UHFFFAOYSA-N
rxn:4:222363:223692,Cc1cc(CN2CCN(c3c(-c4cc(OCc5cccnc5)c(Cl)cc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PGPKATZVFMWACA-UHFFFAOYSA-N
rxn:4:222363:226012,Cc1cc(CN2CCN(c3c(-c4ccc(OCC(F)(F)F)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,TXNWHDJXKIOPMX-UHFFFAOYSA-N
rxn:5:188411:229087:228148,CCOC(=O)c1ncc(-c2sccc2C(C)=O)cc1-c1cccc(OC)c1OC,IDZWJJFHGNKIFT-UHFFFAOYSA-N
rxn:4:187802:222423,COc1c(-c2ccc(OC(F)(F)F)c(CN3C(=O)c4ccccc4C3=O)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DYIIPIRBLXVCJO-UHFFFAOYSA-N
rxn:4:190590:222423,CCOC(=O)c1cc2c(F)cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2[nH]1,DGIFYRUKHPIMGP-UHFFFAOYSA-N
rxn:4:199487:222423,COC(=O)c1cc(Oc2ccc(C#N)c(C#N)c2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,WSQSQMOUQAAUSL-UHFFFAOYSA-N
rxn:4:201047:223570,CCn1c(=O)c2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc2n(CC(=O)c2ccc(OC)cc2)c1=O,QLRNPIRYVIJISO-UHFFFAOYSA-N
rxn:4:201184:222700,O=C1c2oc3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3c(=O)c2C(c2ccccc2)N1CCCN1CCOCC1,KOCYMRHBYKWBDP-UHFFFAOYSA-N
rxn:4:201190:222628,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2cc(C4CCC4)nc(C4CCCNC4)c2)c1)N(CCCN1CCOCC1)C3=O,CBIIKYHBZRDRDU-UHFFFAOYSA-N
rxn:4:202809:223570,COc1ccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC,QZHDMQWAALEBFC-UHFFFAOYSA-N
rxn:4:204874:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6cccc([N+](=O)[O-])c6)C(=O)C45)cc3)c(F)ncc21,TUUJZPJPUOWMSM-UHFFFAOYSA-N
rxn:4:207951:223570,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2c(F)ncc4c2ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1)N(c1nc(C)c(C)s1)C3=O,PBFWJQQFUZDACX-UHFFFAOYSA-N
rxn:4:212790:223570,COCCn1c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,RATMJUZONXCNRL-UHFFFAOYSA-N
rxn:4:213451:222700,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OFYNCUCHYFVPRR-UHFFFAOYSA-N
rxn:4:213451:223578,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HMYFMIDKPJQAJK-UHFFFAOYSA-N
rxn:4:213451:223688,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JWCOCMOGHCUNRB-UHFFFAOYSA-N
rxn:4:213451:223694,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)c(C)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GRVHPZPUEVEQGY-UHFFFAOYSA-N
rxn:4:213451:223742,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(=O)N(CC)Cc6ccccc6)cc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,AQDMOUDXAUXWIE-UHFFFAOYSA-N
rxn:4:213451:224015,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCOCC6)c(C)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WITMIHLAFCBWNE-UHFFFAOYSA-N
rxn:4:219189:223542,COc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,GSXNOIOZAFYBQG-UHFFFAOYSA-N
rxn:4:219545:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)o3)c(F)cc2C)CC1,HKDNXRRNRYONPY-UHFFFAOYSA-N
rxn:4:219746:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc4c(c(=O)n(Cc5cccc(C)c5)c(=O)n4C)n3Cc3ccccc3Cl)c(F)cc2C)CC1,RMPOHTVZMWXSIJ-UHFFFAOYSA-N
rxn:4:219783:222462,CC(=O)n1nc(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)ccc3ncc21,YCEGVWHOWQZEFF-UHFFFAOYSA-N
rxn:4:221274:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)CC1,WSDOFYVYDXTCAK-UHFFFAOYSA-N
rxn:4:221277:222621,CC(C)Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,UWTCINIYUDXDQJ-UHFFFAOYSA-N
rxn:4:221771:223570,CC1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c(=O)n3C)n2C1,PJHJNWYBNLUMDI-UHFFFAOYSA-N
rxn:4:221782:224016,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)c(C)c1,KWKVVOIEYIODEB-UHFFFAOYSA-N
rxn:4:221929:223624,Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)c1,FFIWKCNLCAJBND-UHFFFAOYSA-N
rxn:4:221986:223495,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)CC1,JRLRPZYGASLRRV-UHFFFAOYSA-N
rxn:4:221986:228708,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cncnc3C3CC3)cc2)CC1,VDGBMAUUVRXVCJ-UHFFFAOYSA-N
rxn:4:221995:223604,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cccc(Oc6ccc(C(F)(F)F)cc6[N+](=O)[O-])c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,MOMZVNJJQZVRIT-UHFFFAOYSA-N
rxn:4:222205:222628,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,VASHVUFCBAVTRD-UHFFFAOYSA-N
rxn:4:222207:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4nnc5n(Cc6cccc(C)c6)c6c(=O)n(C)c(=O)n(C)c6n45)cc3)c(F)cc2C)CC1,RYRIBVQPBIFJNS-UHFFFAOYSA-N
rxn:4:222275:222462,COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6c(F)cc7nc(NC(=O)OC(C)(C)C)sc7c6F)o5)CC4)ncnc32)cc1,JUUZTSGTFWTBRO-UHFFFAOYSA-N
rxn:4:222362:222448,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)NCc7ccccc7)cc([N+](=O)[O-])c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WAUKCMJVVVZNFN-UHFFFAOYSA-N
rxn:4:222362:223526,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)N7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,FGPFOAMFTXGTAI-UHFFFAOYSA-N
rxn:4:222362:223818,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc(F)c7c6ccn7C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,YYUHFLXEPJNRBS-UHFFFAOYSA-N
rxn:4:222362:225912,CCCOc1c(F)cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1F,ATUIQZGZXHPBMW-UHFFFAOYSA-N
rxn:4:222363:222467,Cc1cc(CN2CCN(c3c(-c4ccc(NC(=O)OC(C)(C)C)c5ccccc45)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CKLCYHMHGFANOT-UHFFFAOYSA-N
rxn:4:222363:222714,Cc1cc(CN2CCN(c3c(-c4cc(NC(=O)OC(C)(C)C)cc(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZCCLFPWJTRMWNE-UHFFFAOYSA-N
rxn:4:222363:224580,Cc1cc(CN2CCN(c3c(-c4cc(-n5ccnc5C)ccc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AKUNWJPHJQPIJN-UHFFFAOYSA-N
rxn:4:184221:222423,COC(=O)c1c(-c2ccccc2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1,PDSLCHPYNMTFHI-UHFFFAOYSA-N
rxn:4:184245:222389,Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(-c2cc(C4CCNCC4)nc(C4CCNCC4)c2)cc1)N(CCCOC(C)C)C3=O,YQYOLXCQOFOECM-UHFFFAOYSA-N
rxn:4:187360:222423,COc1cc(CN(C)C2CCOCC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,XWAFUVGJBXDEGO-UHFFFAOYSA-N
rxn:4:188010:223570,CCOC(=O)c1c(C)oc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)c3oc(=O)c(-c4nc5ccccc5o4)cc3c12,CLRUNTMYHSXWGJ-UHFFFAOYSA-N
rxn:4:194802:223570,Cc1ccc(N2C(=O)C3C(c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,YMIPORLWVGNWLO-UHFFFAOYSA-N
rxn:4:201184:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)ccc2F)CC1,ZCSVQFXVZZZIJK-UHFFFAOYSA-N
rxn:4:201184:223568,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)cnc21,WQDKHDLGDHVJPL-UHFFFAOYSA-N
rxn:4:213451:222612,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCC(O)CC6)ccc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LHPAQTARIOFTAQ-UHFFFAOYSA-N
rxn:4:213451:222805,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(F)c(F)c(N6CCC(O)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SOMVOTJPJVNWBR-UHFFFAOYSA-N
rxn:4:213451:223534,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LIUKZGYJECLACS-UHFFFAOYSA-N
rxn:4:213451:223747,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SIPBCAZYZCWILN-UHFFFAOYSA-N
rxn:4:213451:223834,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C)c(S(=O)(=O)N6CCN(C)CC6)c(C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,XKILNIKZJIQMNT-UHFFFAOYSA-N
rxn:4:213451:223980,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N6CCN(CC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,BTCWJFUKGYAEFM-UHFFFAOYSA-N
rxn:4:213451:225188,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(Cl)c(CN6CCOCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GWEJBIXFLAFJIO-UHFFFAOYSA-N
rxn:4:214362:222524,CCn1cc(-c2nc(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,QSEOLOYWICXMGA-UHFFFAOYSA-N
rxn:4:214362:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4csc(-c5cn(CC)c6cc(N7CCCCCC7)c(F)cc6c5=O)n4)cc3)c(F)cc2C)CC1,OKFDRLQLGGHRFL-UHFFFAOYSA-N
rxn:4:218774:223541,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC7(CC6)OCCO7)ccc5OC)oc4C)ccn3n2)cc1,XCOSNDHNEMIGPT-UHFFFAOYSA-N
rxn:4:221275:222822,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)NC1CC1,FBGDHCYADGDLPE-UHFFFAOYSA-N
rxn:4:221275:223845,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,FPIXQCLBVOXHPW-UHFFFAOYSA-N
rxn:4:221275:224018,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,RBGFEAJKLSPATG-UHFFFAOYSA-N
rxn:4:221538:222531,Cc1ccc(NC(=O)c2ccc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2)c(C)c1,GPNHXJOYZZUXGF-UHFFFAOYSA-N
rxn:4:221539:222542,Cc1ccc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1OCCCN1CCNCC1,XLGVFOJNIMAJHW-UHFFFAOYSA-N
rxn:4:221539:224664,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc2)CC(C)O1,ZKJBBXXDNXZWNS-UHFFFAOYSA-N
rxn:4:221566:222524,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)cc1,AGUJIYRRNJMJIV-UHFFFAOYSA-N
rxn:4:221769:222524,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)c1,CEISOXUKQADZOY-UHFFFAOYSA-N
rxn:4:221776:222741,CC1CN(c2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,LRRLZZMEWNTMBZ-UHFFFAOYSA-N
rxn:4:221987:223532,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3OC)nnc12,PVPAIDUJADYPSN-UHFFFAOYSA-N
rxn:4:222195:222424,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cccc(NS(=O)(=O)c4cccc5c(N(C)C)cccc45)c3)c2)CC1,PFZZDISJJBUHNV-UHFFFAOYSA-N
rxn:4:222356:222702,Cc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(C7CCCNC7)ccc6C(F)(F)F)cc5)c(C)nn43)c2=O)[nH]1,AOORMENWVYKFLE-UHFFFAOYSA-N
rxn:4:222362:222474,Cc1ccccc1CNC(=O)c1cccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1F,YHGDGCVUBSESFE-UHFFFAOYSA-N
rxn:4:222362:223136,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccncc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,RPEFZDWDTFGQNE-UHFFFAOYSA-N
rxn:4:222362:224633,COc1ccc(CN2CCOCC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ACQQBCLWSYCJKW-UHFFFAOYSA-N
rxn:4:222362:227690,COc1cc([N+](=O)[O-])ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,PLPDEPBHQZSZHT-UHFFFAOYSA-N
rxn:4:222363:223812,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(CN5CCC6(CC5)OCCO6)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VOWPGJIIOSXDKV-UHFFFAOYSA-N
rxn:4:222363:225183,Cc1cc(CN2CCN(c3c(-c4ccc(OC5CCCCC5)nc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IHPLQMTWZFJARR-UHFFFAOYSA-N
rxn:4:222363:227425,Cc1cc(CN2CCN(c3c(-c4cccc(-c5cncs5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SXZZJPBLLUAROR-UHFFFAOYSA-N
rxn:4:185247:222423,COc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc(OC)c1CN1CCC(C(F)(F)F)CC1,IBMNFEZDAFTUQB-UHFFFAOYSA-N
rxn:4:200034:222628,COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)ccc23)cc1,GPGNGIQCBWCJDT-UHFFFAOYSA-N
rxn:4:201182:223566,Cc1ccc(C)n1-c1cc(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)c2)cc(-n2c(C)ccc2C)n1,UVSQRTVSNVGNNQ-UHFFFAOYSA-N
rxn:4:201184:223500,CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)ccc2F)CC1,SOGCIRWPBPEEEB-UHFFFAOYSA-N
rxn:4:201188:223572,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)c3ccccc23)c1,GEPNYZPFMHRJHE-UHFFFAOYSA-N
rxn:4:201579:222423,COc1c(-c2cnc(OCC3CCOCC3)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZXYSXAQVCRDOMW-UHFFFAOYSA-N
rxn:4:212845:223841,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)c4)n(Cc4ccco4)c(=O)c23)C1,MYEBSEANGNRUAG-UHFFFAOYSA-N
rxn:4:213405:222851,CCc1cc(-c2ccc(-n3c(C)cc(C(=O)CSc4ncnc5sc(C)c(C)c45)c3C)cc2)cc(C2CCNCC2)n1,FBFRWLXONXGYEI-UHFFFAOYSA-N
rxn:4:213451:222710,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)NC(C)(C)C)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,URRWHCHFCHDCCS-UHFFFAOYSA-N
rxn:4:213451:223001,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CCCNC6)ccc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GHQJPQTYAPOCIA-UHFFFAOYSA-N
rxn:4:213451:223589,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VREVSLAIIRPVIZ-UHFFFAOYSA-N
rxn:4:213451:223689,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)c(S(=O)(=O)N6CCN(CC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FWPAJBUHEKPQLP-UHFFFAOYSA-N
rxn:4:213451:223781,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc6ccn(S(=O)(=O)c7ccccc7)c6c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,BADHCEBXJPVGRS-UHFFFAOYSA-N
rxn:4:213451:223902,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCC(C)CC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LASCLHYHFSPFHA-UHFFFAOYSA-N
rxn:4:213451:224008,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(=O)N6CCOCC6)cc([N+](=O)[O-])c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VHVGLZGDEURUAI-UHFFFAOYSA-N
rxn:4:213451:224373,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)c(S(=O)(=O)N6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LADGOHYNFHWCDF-UHFFFAOYSA-N
rxn:4:213451:224981,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CC6)cc(-n6ccnc6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QMSGSZICEXATJO-UHFFFAOYSA-N
rxn:4:213467:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(Cn4c5ccc(F)cc5c5ncn(Cc6cccc(OC)c6)c(=O)c54)c3)c(F)cc2C)CC1,RJWIPPGUXUZUEU-UHFFFAOYSA-N
rxn:4:214339:223570,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)ccc43)C2=O)cc1,GZOXIXHIBBHPHK-UHFFFAOYSA-N
rxn:4:214388:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c2)CC1,WBFZRXYHECWIMW-UHFFFAOYSA-N
rxn:4:214388:224398,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)c(OC)cc12)CC3,MNEQVKPMFSUMBN-UHFFFAOYSA-N
rxn:4:216326:223570,Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc23)cc1,ZNZYNBYUDXAZAK-UHFFFAOYSA-N
rxn:4:221252:223845,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,CDCADPLVHMLDGR-UHFFFAOYSA-N
rxn:4:221275:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)ccc2C)CC1,JRVQEJURNJLXJQ-UHFFFAOYSA-N
rxn:4:221539:222586,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(=O)NCCc4ccc(F)cc4)s3)cc2)CC(C)O1,YLBLKOUZYGYPCV-UHFFFAOYSA-N
rxn:4:221575:223835,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,XCTLRMLPEFUQCY-UHFFFAOYSA-N
rxn:4:221575:224398,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,ZTWBNAAMXWNKBF-UHFFFAOYSA-N
rxn:4:221785:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(Cc5cccc(C)c5)c(=O)n4C)cc3)c(F)cc2C)CC1,ZXCZFWGPTAOYAJ-UHFFFAOYSA-N
rxn:4:221986:223541,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)CC1,IXATTXYVRBMGPI-UHFFFAOYSA-N
rxn:4:221995:224140,Cc1cc(OCc2ccc(Cl)cc2)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,KOHFBVCTPBZMMW-UHFFFAOYSA-N
rxn:4:221995:225771,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(F)c1OC(C)C,LGSBJASXJBQNTR-UHFFFAOYSA-N
rxn:4:222134:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(Cn4c5c(=O)n(C)c(=O)n(C)c5n5c(-c6ccc(OC)cc6)nnc45)cc3)c(F)c2)CC1,JFTNYUGUXKLCBQ-DUYHBEBVSA-N
rxn:4:222362:222475,Cc1ccc(CNC(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)cc1,GCRWOHULHCRDGQ-UHFFFAOYSA-N
rxn:4:222362:227280,CC(C)c1cnc(C#N)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MXZRITCDOMYCFV-UHFFFAOYSA-N
rxn:4:187924:222423,CCOc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,WCJHRESDYKTFAX-UHFFFAOYSA-N
rxn:4:190556:222423,CCOC(=O)c1c[nH]c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc12,RMDJLCLWYIXORV-UHFFFAOYSA-N
rxn:4:199820:222423,COc1c(-c2ccc(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)cc2C(F)(F)F)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GPUUWHGOLIVBDO-NRFANRHFSA-N
rxn:4:200053:223528,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2ccc(F)c(CN3CCN(C(=O)OC(C)(C)C)CC3)c2)c1,KBEVIKSAIGGVQD-UHFFFAOYSA-N
rxn:4:200890:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1,HZEAUXBIGQQCKE-UHFFFAOYSA-N
rxn:4:201167:222389,CCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nccs2)cc1OC,JHVKMXYRFLUMHJ-UHFFFAOYSA-N
rxn:4:201186:223528,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(F)c(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,DZVNMTNJGXCIOT-UHFFFAOYSA-N
rxn:4:201187:223570,CCCOc1cccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,CUVCPRIKHXGXKW-UHFFFAOYSA-N
rxn:4:202333:222423,COc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,ZQCXHNZHIQLTDB-UHFFFAOYSA-N
rxn:4:202794:223570,COC(=O)c1ccc(C2Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3C3CC(c4ccc(C)o4)=NN32)cc1,PTMDFBQPCDMFOA-UHFFFAOYSA-N
rxn:4:202800:222428,CC#Cc1cc2c(c(F)c1-c1cc(C)c(S(=O)(=O)NCc3ccc(OC)cc3)c(C)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,WOHXEHIKWWNXBQ-GDLZYMKVSA-N
rxn:4:212790:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)sc(=NC(=O)c3cc5cc([N+](=O)[O-])ccc5s3)n4CCOC)c(F)cc2C)CC1,CHGVIMRGQKKTSH-UHFFFAOYSA-N
rxn:4:213451:222622,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(C)CC)nc(C6CCCNC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,NYCHBAXEYZVIGC-UHFFFAOYSA-N
rxn:4:213451:222684,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCNCC6)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FBSRQLQIJVCWEH-UHFFFAOYSA-N
rxn:4:213451:223540,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCC7(CC6)OCCO7)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZYAHQBFTZJTHMC-UHFFFAOYSA-N
rxn:4:213451:223829,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)ccc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QOTYCALGDRIAQP-UHFFFAOYSA-N
rxn:4:213451:224010,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCOCC6)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ROMFKXXLAZRUER-UHFFFAOYSA-N
rxn:4:213451:225177,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCSCC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OEYWWUFKDPHLGO-UHFFFAOYSA-N
rxn:4:213451:225178,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCOCC6)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,BJDCZTVGBPQMHP-UHFFFAOYSA-N
rxn:4:215222:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4ncn(CC(=O)c5c(C)n(C)c6cc(C)ccc56)c(=O)c4c3)c(F)cc2C)CC1,HWONNABPCXPMIM-UHFFFAOYSA-N
rxn:4:215310:223570,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2ccccc21,QEVHVEFJPYBXGO-UHFFFAOYSA-N
rxn:4:218632:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(C(=O)c4ccc(Cn5ccnc5)cc4)C3)c(F)cc2C)CC1,MAYUISVQGRYQDF-UHFFFAOYSA-N
rxn:4:218773:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4c(SCC(=O)N5CCN(c6ccccc6)CC5)nc5c(c4=O)SCC5)cc3)c(F)cc2C)CC1,KJCLQQVLUFCSLM-UHFFFAOYSA-N
rxn:4:218774:222612,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(S(=O)(=O)N7CCC(O)CC7)ccc6F)ccc5OC)oc4C)ccn3n2)cc1,XSRDQHRESBQFCS-UHFFFAOYSA-N
rxn:4:221275:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)c(F)cc1C,DDZVTIOFWWSDJE-UHFFFAOYSA-N
rxn:4:221275:225596,CC1CN(c2ccc(-c3ccc(Cl)c(CN4CCCC4)c3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,YXZRLTHFKZQWDJ-UHFFFAOYSA-N
rxn:4:221770:223845,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)c1,WYNJZUHFRHFWKX-UHFFFAOYSA-N
rxn:4:221777:224662,CC1CN(c2ccc(-c3cc(F)ccc3CN3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,FPQCLHOOYHDUKN-UHFFFAOYSA-N
rxn:4:221929:223472,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)cc5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,OTNFRIDSQGBKTF-UHFFFAOYSA-N
rxn:4:221995:224191,COc1ccc(O[Si](C)(C)C(C)(C)C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,WPOBSLSIICFXQY-UHFFFAOYSA-N
rxn:4:221995:224552,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)cc(COC6CCCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,AFUHQICBOCTXMD-UHFFFAOYSA-N
rxn:4:222362:222627,Cc1ccc(NCc2ccc(F)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cc1,QEFZKYLPOWPAAN-UHFFFAOYSA-N
rxn:4:222363:222490,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(NC(=O)OCc5ccccc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JGKWPSCCKXSZKQ-UHFFFAOYSA-N
rxn:4:222363:223985,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1S(=O)(=O)N1CCCCC1,UQTWABMUNLPPQO-UHFFFAOYSA-N
rxn:4:222363:224734,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4OCC4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OJKDRWPIKKVXMY-UHFFFAOYSA-N
rxn:4:222363:225285,Cc1cc(CN2CCN(c3c(-c4cnc(CC(C)C)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZHHPIINLMUTGFO-UHFFFAOYSA-N
rxn:4:184400:222423,COC(=O)Cc1c(C#N)cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)F,NQROYFHSSJRPSI-UHFFFAOYSA-N
rxn:4:184460:222423,COC(=O)Cc1c(C#N)cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)(F)F,PQXSIMFOUBYXBF-UHFFFAOYSA-N
rxn:4:194793:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4C(=O)C5C(c6cccc(F)c6)OC6(C(=O)c7ccccc7C6=O)C5C4=O)cc3)c(F)ncc21,KSYVPMMNVKGKHM-UHFFFAOYSA-N
rxn:4:201183:222538,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)N1CCCN1CCOCC1,XPULINDPNZQDKC-UHFFFAOYSA-N
rxn:4:202595:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1ccc(CN2CCN(CC(F)(F)F)CC2)c2ccccc12,HJTMAIDLQRIKAU-UHFFFAOYSA-N
rxn:4:212846:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)c(F)cc2C)CC1,UXWCNHKLJPNHIY-UHFFFAOYSA-N
rxn:4:213371:223570,CCCc1cnc2c(c1SCc1ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1)c(=O)n(C)c(=O)n2C,UDPHXIAALQEMPI-UHFFFAOYSA-N
rxn:4:213451:225005,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(C(C)N6CCOCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RGUIPGQADCVZDJ-UHFFFAOYSA-N
rxn:4:213474:223841,Cc1cc(F)c(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cc1S(=O)(=O)N1CCN(C)CC1,GFDAXIAGCBPBEO-XIFFEERXSA-N
rxn:4:214357:223841,CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1,AKWLMYBLYBQSGL-UHFFFAOYSA-N
rxn:4:214388:222822,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)c(OC)cc12)CC3,UFEAFIUJULTAHW-UHFFFAOYSA-N
rxn:4:214388:222996,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(F)cc4C4CCCNC4)c(OC)cc12)CC3,UPJWSOVJDBQAJX-UHFFFAOYSA-N
rxn:4:214388:223054,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(C)N5CCC(O)C5)s4)c(OC)cc12)CC3,CHLSKKXPZBZZTD-UHFFFAOYSA-N
rxn:4:214388:223839,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4OC)c(OC)cc12)CC3,IBBUWYDUBJGBHQ-UHFFFAOYSA-N
rxn:4:215264:223570,CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)s1,VBHGRBKKMMZLGR-UHFFFAOYSA-N
rxn:4:218785:223830,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(C)c(S(=O)(=O)N4CCN(CC)CC4)c3)cc1-2,SKRIYOHLDRJKEW-UHFFFAOYSA-N
rxn:4:221274:223527,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,LOFYKCLNHLPMMW-UHFFFAOYSA-N
rxn:4:221275:222524,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,UHQAKZXYRBHBOI-UHFFFAOYSA-N
rxn:4:221277:222847,Cn1c(=O)n(Cc2ccc(-c3cc(C#N)cc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,LRAUBQWZXLWTEK-UHFFFAOYSA-N
rxn:4:221277:223061,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCNCC4)ncc3F)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,RFWXHNLYYHGEPV-UHFFFAOYSA-N
rxn:4:221538:223586,COc1ccc(COc2cc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)cc(C(F)(F)F)c2)cc1,YASGKZGHPDEBJF-UHFFFAOYSA-N
rxn:4:221538:223600,Cc1ccc(S(=O)(=O)n2cc(-c3ccc(Cn4c(CN5CCCCC5C)nc5c4c(=O)n(C)c(=O)n5C)cc3)c3cc(Cl)cnc32)cc1,CLRYWKKFNOPEEE-UHFFFAOYSA-N
rxn:4:221575:224405,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,XFIVSUVEALSNSE-UHFFFAOYSA-N
rxn:4:221758:222524,Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1,QUBHHSXKPITMEE-UHFFFAOYSA-N
rxn:4:221995:223748,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(N6CCCCC6)cc(N6CCCCC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,KPBGATVKXLNBQV-UHFFFAOYSA-N
rxn:4:221995:223890,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc6ncn(Cc7ccccc7)c6cc5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,WKKQEQVLDUHELW-UHFFFAOYSA-N
rxn:4:222137:223845,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1,DOHGKJIESSXTDO-UHFFFAOYSA-N
rxn:4:222352:223841,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(S(=O)(=O)N7CCN(C)CC7)c(C)cc6F)cc5)c(C)nn43)c2=O)[nH]1,IAAMUJMICSKPRG-UHFFFAOYSA-N
rxn:4:222362:224280,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc7c(s6)CCN(C(=O)OC(C)(C)C)C7)cc6[nH]ncc56)nn4)cn3c2)CC1,OBRNQZUJGNWKGH-UHFFFAOYSA-N
rxn:4:222362:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,RCLYDHQZHQHROX-UHFFFAOYSA-N
rxn:4:222362:225807,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(-c2cncs2)c1,MGXGNWZYMUNKKF-UHFFFAOYSA-N
rxn:4:222363:223511,Cc1cc(CN2CCN(c3c(-c4ccc5c(ccn5-c5ccc(-c6ccccc6)cc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IRIFHHCVZZSGKT-UHFFFAOYSA-N
rxn:4:222363:224268,Cc1cc(CN2CCN(c3c(-c4ccc5c(cnn5C(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZAHQRPHJMZGFFS-UHFFFAOYSA-N
rxn:4:222363:226706,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-c5ccsc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,USCNHILQNXEQQH-UHFFFAOYSA-N
rxn:4:199877:222423,COc1cc(C(=O)N2C(=S)C(c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)=NC23CCCCC3)cc(OC)c1OC,JTAGBIRVEWTIMP-UHFFFAOYSA-N
rxn:4:212744:223897,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OCCCN1CCOCC1,DPNCXWMLFOPSPU-UHFFFAOYSA-N
rxn:4:212756:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc([N+](=O)[O-])s3)n4CCOC)c(F)cc2C)CC1,YTJHQDAPGPUOAK-UHFFFAOYSA-N
rxn:4:212845:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)c3)c(F)cc2C)CC1,ZWRRWDWIXBCGDY-UHFFFAOYSA-N
rxn:4:213450:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2nc(C)c(C3=NN(C(=O)C(C)C)C(c4ccccc4F)C3)c(-c3ccccc3)c2c1,UNNPKSUMYVWLPY-UHFFFAOYSA-N
rxn:4:213451:223698,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,REXOFEOSYVVTNN-UHFFFAOYSA-N
rxn:4:213451:223839,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WJTKTGADHCQVLP-UHFFFAOYSA-N
rxn:4:213451:223951,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCN(C)CC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,NVFRFUWSZRHYAM-UHFFFAOYSA-N
rxn:4:213451:223994,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QUWBZAYVWXZVCW-UHFFFAOYSA-N
rxn:4:214388:223000,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CCCNC5)c(F)c4)c(OC)cc12)CC3,UXUWBZVCHYHGJM-UHFFFAOYSA-N
rxn:4:214388:223542,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCN(C)CC5)c4)c(OC)cc12)CC3,RHUGLRNMZJTIPP-UHFFFAOYSA-N
rxn:4:214388:224126,CCN1CCN(C(C)c2cccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c2)CC1,DCVKVVRZXOAOSV-UHFFFAOYSA-N
rxn:4:214388:225349,CCCOc1c(F)c(F)c(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(F)c1F,UPUWIARBGKUFNX-UHFFFAOYSA-N
rxn:4:215256:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4[nH]c5c(SCc6ccc(C)cc6C)ncnc5c4c3)c(F)cc2C)CC1,NMEMTMPTCXONFF-UHFFFAOYSA-N
rxn:4:218774:223536,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)c(F)c(N7CCN(C(=O)OC(C)(C)C)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,AWVCFRDPPWUAQL-UHFFFAOYSA-N
rxn:4:218774:223992,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6ccc(C)c(S(=O)(=O)N7CCN(C)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,DDMDQDBRZDDUPU-UHFFFAOYSA-N
rxn:4:218774:223994,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(S(=O)(=O)N7CCN(C)CC7)ccc6C)ccc5OC)oc4C)ccn3n2)cc1,MBVYBYGKVMQLMH-UHFFFAOYSA-N
rxn:4:219640:222423,COc1c(-c2ccc(-c3c(C)nn4c(C)c(C(=O)OC(C)C)nnc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ONXYELFKHMYQRH-UHFFFAOYSA-N
rxn:4:221252:222538,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,CTNUWMPJNIHLHG-UHFFFAOYSA-N
rxn:4:221272:223845,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)n(C)c1=O,OCDOCNMGFZPVRY-UHFFFAOYSA-N
rxn:4:221273:224405,Cn1c(=O)n(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,KHTFUOASJRXKHI-UHFFFAOYSA-N
rxn:4:221277:223542,CN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(Oc6ccccc6)cc5)n(C)c4=O)cc3)ccc2OC(F)(F)F)CC1,QTTILIDRHYOYIE-UHFFFAOYSA-N
rxn:4:221558:223570,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c(=O)n(C)c3nc2n1Cc1ccco1,AYSMGWGRSYVJHZ-UHFFFAOYSA-N
rxn:4:221575:222822,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)NC1CC1,MEOFDHWPYVBTAJ-UHFFFAOYSA-N
rxn:4:221575:223699,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,JHKYMTGJIAHYEP-UHFFFAOYSA-N
rxn:4:221575:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)CC1,VAOSSAAZSFXGRO-UHFFFAOYSA-N
rxn:4:221742:222423,CCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,FNHCGEMTLDCFEI-UHFFFAOYSA-N
rxn:4:221782:224405,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c(C)c1,VPFVEJXXBMJSOR-UHFFFAOYSA-N
rxn:4:221789:224398,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)n(C)c2=O)cc1,BOGDHDZJKKFOIH-UHFFFAOYSA-N
rxn:4:221988:222466,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc3OC)nnc12,KKARYGADJXDNDL-UHFFFAOYSA-N
rxn:4:221995:224306,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5OC5CCCC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,DMXIEUHMCDJRHC-UHFFFAOYSA-N
rxn:4:221995:225806,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cnc(OC6CCCC6)cc5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,YLLWGRRXQKPOFH-UHFFFAOYSA-N
rxn:4:222113:222423,COc1c(-c2ccc(-n3nnc4c(=O)n(CC(=O)N5CC(C)OC(C)C5)cnc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MSDQCRZZZQGYTP-UHFFFAOYSA-N
rxn:4:222362:222447,COc1ccc2c(c1-c1cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c1)N=C(NC(=O)OC(C)(C)C)C2,BTDHUXZKDJDPSS-UHFFFAOYSA-N
rxn:4:222362:225208,Cc1nc(N2CCCC(C)C2)ncc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,QEGDPFPZFZVNCG-UHFFFAOYSA-N
rxn:4:184047:222423,COc1ccc(CN(C(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)C2CCS(=O)(=O)C2)cc1,ZPLZSMAPGLWEIR-UHFFFAOYSA-N
rxn:4:200054:222615,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)cc1,ODKQKVYYAUUHAX-UHFFFAOYSA-N
rxn:4:212751:222613,CCCNS(=O)(=O)c1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c(C(F)(F)F)c1,FTNISRNTNNVODK-UHFFFAOYSA-N
rxn:4:212842:223841,Cc1cc(F)c(-c2ccc3[nH]cc(CCc4nc5ccccc5c(=O)n4-c4cccc(OC(C)C)c4)c3c2)cc1S(=O)(=O)N1CCN(C)CC1,VSJJHBRDLUTSCN-UHFFFAOYSA-N
rxn:4:212846:224398,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)N6CCCC6)c(C)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,BUTAVNYRVFOREI-UHFFFAOYSA-N
rxn:4:213451:223504,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)c([N+](=O)[O-])c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LECDCTPHZDNMFE-UHFFFAOYSA-N
rxn:4:213451:223523,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)N6CCN(CC)CC6)c6ccccc56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,DXVPQKDSQWFNPH-UHFFFAOYSA-N
rxn:4:213451:223597,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FGGKZEVJZWCCDJ-UHFFFAOYSA-N
rxn:4:213451:224066,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-c6ccncc6)cc(C(C)(C)C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OLUYQXAMNRTCQP-UHFFFAOYSA-N
rxn:4:214358:223816,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)cc3c2-c2ccccc2)CC1c1ccccc1F,QRXCKRPQKCNIRK-UHFFFAOYSA-N
rxn:4:214358:223828,CCN1CCN(c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccccc6F)C5)c(-c5ccccc5)c4c3)cc(C(F)(F)F)c2)CC1,AXFZQLUNGQORID-UHFFFAOYSA-N
rxn:4:214359:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2nc(C)c(C3=NN(C(C)=O)C(c4ccc(F)cc4)C3)c(-c3ccccc3)c2c1,IRMZIPMWCRAQDB-UHFFFAOYSA-N
rxn:4:214361:223845,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)ccc32)CC1,UEPWUOUILIDTGW-ZZEPOTGUSA-N
rxn:4:214362:223845,CCn1cc(-c2nc(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,CKEZKUHJZFDDOK-UHFFFAOYSA-N
rxn:4:214388:222997,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(Cl)cc4C4CCCNC4)c(OC)cc12)CC3,VCDDPBUDUMJSNY-UHFFFAOYSA-N
rxn:4:214388:223001,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCCNC5)ccc4F)c(OC)cc12)CC3,NBBFMHIUIUQKJJ-UHFFFAOYSA-N
rxn:4:214388:223002,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CCNCC5)cc4F)c(OC)cc12)CC3,WZZRNAFLVRXSHT-UHFFFAOYSA-N
rxn:4:214388:223053,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(=O)NC(C)C)cc4F)c(OC)cc12)CC3,UPTIHUJFWXEAOE-UHFFFAOYSA-N
rxn:4:214388:223600,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ncc(Cl)cc45)c(OC)cc12)CC3,YPFKGGWBVJHLJX-UHFFFAOYSA-N
rxn:4:214388:224405,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)c(OC)cc12)CC3,XQIJHKPJMDCFOM-UHFFFAOYSA-N
rxn:4:218774:224196,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)cc(CN7CCN(CC)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,MIRIVAGJBLWFIK-UHFFFAOYSA-N
rxn:4:221274:223530,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2CN2CCN(C(=O)OC(C)(C)C)CC2)cc1,XYUKXSZOXOTZBC-UHFFFAOYSA-N
rxn:4:221275:225378,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N(C)C)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,RYHNOJUQFPNXRA-UHFFFAOYSA-N
rxn:4:221277:222629,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)nc(C(C)(C)C)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,KBVXFIZWBATISP-UHFFFAOYSA-N
rxn:4:221539:222524,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)CC(C)O1,DWPDESVSHLHQHK-UHFFFAOYSA-N
rxn:4:221575:224290,CC1CN(c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,OYDYAKUGYIEHQQ-UHFFFAOYSA-N
rxn:4:221575:225364,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N(C)C,VALJLULEQFVVNW-UHFFFAOYSA-N
rxn:4:221747:222537,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCN1c1ccc(F)cc1,MLTCVQPJRQXXNK-UHFFFAOYSA-N
rxn:4:221755:223841,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)cc1,UVJOCAGHKOJKMD-UHFFFAOYSA-N
rxn:4:221777:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1,VTZDFAFQDFCHLA-UHFFFAOYSA-N
rxn:4:221787:224405,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c1,MEVCJIFBHIDTBG-UHFFFAOYSA-N
rxn:4:221929:223936,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc6c(F)cccc6n5C(=O)OC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,DJDPKADDNFOTEF-UHFFFAOYSA-N
rxn:4:222144:223995,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1,SWGDECMVTDKZHL-UHFFFAOYSA-N
rxn:4:222144:225306,COc1cc(F)c([Si](C)(C)C)c(F)c1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,MUXFPQYLGCIYIZ-UHFFFAOYSA-N
rxn:4:222362:223478,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,DADJFDMUCRZRNZ-UHFFFAOYSA-N
rxn:4:222363:222554,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)NCc5ccccc5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KUEFKQXDAWAOKF-UHFFFAOYSA-N
rxn:4:178605:222389,c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c4ccc(-c5ccccc5)cc34)cc2)cc1,KWYLZXWMAUNKCD-UHFFFAOYSA-N
rxn:4:199953:222423,CCn1c(=NC(=O)CCS(=O)(=O)c2ccccc2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,JVPJGRNMXIEEPT-UHFFFAOYSA-N
rxn:4:200835:223528,CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccc(OCc4ccc(Cl)cc4)c(C=C4SC(N5CCOCC5)=NC4=O)c3)ccc2F)CC1,FBGYGRGMZAXECZ-UHFFFAOYSA-N
rxn:4:201167:223845,CCOc1ccc(C2c3c(oc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4c3=O)C(=O)N2c2nccs2)cc1OC,ZFGTYAZLURPPES-UHFFFAOYSA-N
rxn:4:202065:222423,COc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc(OC)c1CN1CCN(C)CC1,XYUNBXFGVWRCGU-UHFFFAOYSA-N
rxn:4:204952:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)(C)C)cc2)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CUPJYXPUMZOEIP-UHFFFAOYSA-N
rxn:4:212845:223845,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)c4)n(Cc4ccco4)c(=O)c23)C1,QSRDPVLNJKRQLX-UHFFFAOYSA-N
rxn:4:212845:223994,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)ccc5C)c4)n(Cc4ccco4)c(=O)c23)C1,MOQOAMGUMTYBMS-UHFFFAOYSA-N
rxn:4:213451:224685,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(C(=O)N6CCC(=O)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SXRBWQUOPIJJFB-UHFFFAOYSA-N
rxn:4:213473:223841,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)cc4)n(-c4ccccc4C)c(=O)c23)C1,PXXDKDQPVOSLCQ-UHFFFAOYSA-N
rxn:4:214359:223828,CCN1CCN(c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccc(F)cc6)C5)c(-c5ccccc5)c4c3)cc(C(F)(F)F)c2)CC1,QEXDNDXLPVAJRV-UHFFFAOYSA-N
rxn:4:214388:224127,CCN1CCN(C(C)c2ccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)cc2)CC1,HSTUSAIMVAFZNN-UHFFFAOYSA-N
rxn:4:214388:224988,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CC5)cc4-n4ccnc4)c(OC)cc12)CC3,WSLVPFLDCCZZBV-UHFFFAOYSA-N
rxn:4:219189:224193,CCN1CCN(Cc2cc(-c3ccc(OC)c(-c4nc(Cn5ccn6nc(-c7ccc(C)c(C)c7)cc6c5=O)c(C)o4)c3)ccc2F)CC1,QMQLVNXNSAACSN-UHFFFAOYSA-N
rxn:4:220557:223841,Cc1cc(F)c(-c2ccc(-c3c(C)nn4c3ncc3c(=O)n(-c5ccccc5F)ccc34)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UDTWYQHMYBKOPU-UHFFFAOYSA-N
rxn:4:221277:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,UIUFZMCAZZTDPJ-UHFFFAOYSA-N
rxn:4:221539:223841,Cc1cc(F)c(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,AOVCNMGJUMMVCJ-UHFFFAOYSA-N
rxn:4:221575:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)c(C(F)(F)F)c1,PPTXLUVDRMOXPW-UHFFFAOYSA-N
rxn:4:221765:223845,Cc1ccc(Cn2c(=O)c3c(nc4n(-c5ccc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCN(C)CC6)cc5)c(C)cn34)n(C)c2=O)cc1,ZXTHMZWQQOATPH-UHFFFAOYSA-N
rxn:4:221768:223845,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1C,PQGZAXKEEZJLLF-UHFFFAOYSA-N
rxn:4:221772:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)CC1,VNXNKKZZOHJHHK-UHFFFAOYSA-N
rxn:4:221772:224398,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,UWYGEEDCCYTZJN-UHFFFAOYSA-N
rxn:4:221781:222822,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4C)n(C)c3=O)cc2)cc1S(=O)(=O)NC1CC1,OEDARDGMIYKRTD-UHFFFAOYSA-N
rxn:4:221790:222822,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(S(=O)(=O)NC4CC4)c(C)cc3F)cc2)n(C)c1=O,IKIFEFZAUVDVHU-UHFFFAOYSA-N
rxn:4:221988:223533,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)ccc3OC)nnc12,LAYGPIZZGZKDJS-UHFFFAOYSA-N
rxn:4:222144:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,JKYDNMYDIAOJGS-UHFFFAOYSA-N
rxn:4:222272:223598,Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6ccc(OCCN7CCC8(CC7)OCCO8)c(F)c6)c5)no4)cnc32)cc1,MEMMSGQPQGTTCO-UHFFFAOYSA-N
rxn:4:222306:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(F)cc5)CC4)o3)c(F)cc2C)CC1,FOILBDSBLFXQCA-UHFFFAOYSA-N
rxn:4:222362:223984,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Oc7ccc(F)cc7[N+](=O)[O-])cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,PVKQPYGDVBPGQS-UHFFFAOYSA-N
rxn:4:222362:224118,COc1c(OCc2ccccc2)cccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,WCBPQMZEAKCYTR-UHFFFAOYSA-N
rxn:4:222362:225927,CN(C)c1ccc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,OGGUVUSSQBDYCD-UHFFFAOYSA-N
rxn:4:222363:223001,Cc1cc(CN2CCN(c3c(-c4cc(C5CCCNC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZNNBNPRHQVJPFP-UHFFFAOYSA-N
rxn:4:222363:224711,CCCCOc1ccc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,YEMAGHUYGVGCBV-UHFFFAOYSA-N
rxn:4:222363:224777,Cc1cc(CN2CCN(c3c(-c4cnc(C5CCCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WWSCPPOHDAXMOX-UHFFFAOYSA-N
rxn:4:222363:226038,COc1cc(C(F)(F)F)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,IEIKZXTYKILJFA-UHFFFAOYSA-N
rxn:4:189231:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1sc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)nc1C,VDLMZQMWRRMNOT-UHFFFAOYSA-N
rxn:4:200024:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2nc3c(cc2Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)CC3(C)C)CC1,XJFABHILRPNKBY-UHFFFAOYSA-N
rxn:4:201031:222423,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,CEVAYXWVQBQSIB-UHFFFAOYSA-N
rxn:4:201173:222423,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)on2)c1,ZTACPQFZUXQTIH-UHFFFAOYSA-N
rxn:4:201173:223570,CCCOc1cccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2cc(C)on2)c1,NEYHNIZHYDRTLH-UHFFFAOYSA-N
rxn:4:201177:223845,COc1cccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2)CCCC4)c1,GYEZXCGMTZZOPX-UHFFFAOYSA-N
rxn:4:201186:223533,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,IKRHCTHYHLTSSS-UHFFFAOYSA-N
rxn:4:212842:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc2[nH]cc(CCc3nc4ccccc4c(=O)n3-c3cccc(OC(C)C)c3)c2c1,DKRPLUXBQDENSN-UHFFFAOYSA-N
rxn:4:212845:224950,COc1ccc(-c2cccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)c2)c(CN2CCCC2)c1,MKONAGIYOUWASC-UHFFFAOYSA-N
rxn:4:212846:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)c3ccccc23)CC1,HVZMDPZBLHURKX-UHFFFAOYSA-N
rxn:4:213377:223570,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)nc3ccccn3c2=O)SC1=S,CZNCNZQWCRXOGI-UHFFFAOYSA-N
rxn:4:213445:223839,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(S(=O)(=O)N7CCN(C)CC7)ccc6OC)c(OC)ccc5c4)nc23)cc1OC,XOLXSDIIKSWJJM-UHFFFAOYSA-N
rxn:4:213449:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccccc6OC)C5)c(-c5ccccc5)c4c3)c(F)cc2C)CC1,NSOMFERDYUKABB-UHFFFAOYSA-N
rxn:4:213451:222432,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)NC6CCCCC6)c6ccccc56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WDUWFDLMJFCNGK-UHFFFAOYSA-N
rxn:4:213451:224300,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(=O)N6CCSCC6)cc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,IREBCIOAGIZSAQ-UHFFFAOYSA-N
rxn:4:213451:224392,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCOCC6)ccc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QARLVJCNKJTBJL-UHFFFAOYSA-N
rxn:4:214357:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4CC(c5c(C)nc6ccc(Cl)cc6c5-c5ccccc5)=NN4C(C)=O)cc3)c(F)cc2C)CC1,NTAPZNLUQYVLHL-UHFFFAOYSA-N
rxn:4:214388:222891,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(OC)nc(C5CCNCC5)c4)c(OC)cc12)CC3,KUSQWHQGLKUVQG-UHFFFAOYSA-N
rxn:4:214388:223007,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)cc(C5CCNCC5)c4)c(OC)cc12)CC3,HPTTUYMVWMQZSA-UHFFFAOYSA-N
rxn:4:214388:223141,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cncc(C5CCNCC5)c4)c(OC)cc12)CC3,HPXCQJIYXZLZJY-UHFFFAOYSA-N
rxn:4:218636:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4nc(-c5ccccc5)oc4C)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WWUQLSLYKHOADO-UHFFFAOYSA-N
rxn:4:218774:222700,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6ccc(C(F)(F)F)cc6C6CCCNC6)ccc5OC)oc4C)ccn3n2)cc1,WXLZZNHGRABMFM-UHFFFAOYSA-N
rxn:4:219189:222828,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)NC2CC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,KFQVGSRLTOELFA-UHFFFAOYSA-N
rxn:4:221275:225594,CC1CN(c2ccc(-c3ccc(F)cc3CN3CCCC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,RFRMJBOXGCSPPD-UHFFFAOYSA-N
rxn:4:221574:222537,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,HSENKVVWRPZUNC-UHFFFAOYSA-N
rxn:4:221781:223541,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)c(=O)n2C)c1C,YJMGZQKKBGEVFN-UHFFFAOYSA-N
rxn:4:221785:222822,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)n(C)c2=O)c1,QGUASQWOPCDHLT-UHFFFAOYSA-N
rxn:4:221995:224150,Cc1c(F)cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1OCc1ccccc1,GYMRHIDINCKMQY-UHFFFAOYSA-N
rxn:4:222186:222423,COc1c(-c2cnccc2OC2CCN(c3nc(C)nc4c3cnn4C)C2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GJECINCBQZZHRP-UHFFFAOYSA-N
rxn:4:222205:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c3c(=O)n(C)c(=O)n(C)c3n3c(-c4ccc(C)cc4)nnc23)cc1,JHTABNWKNKZKHY-UHFFFAOYSA-N
rxn:4:222362:223243,COc1cc2cn[nH]c2cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MQOKYRQQNBPLLA-UHFFFAOYSA-N
rxn:4:222362:223503,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc(OC7CCN(C(=O)OC(C)(C)C)CC7)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,ACRYUYMREUGARK-UHFFFAOYSA-N
rxn:4:222362:223793,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(F)(F)F)ccc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,LLMANIYANFWTJO-UHFFFAOYSA-N
rxn:4:222362:223844,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCCC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,UWYLGGBTSRQLKO-UHFFFAOYSA-N
rxn:4:222362:224198,CCN1CCN(Cc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)CC1,PWEDZNWSMKAELJ-UHFFFAOYSA-N
rxn:4:185865:222423,COC(=O)c1cc(C#N)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)F,AKTZEQUJPVWFFO-UHFFFAOYSA-N
rxn:4:200896:223845,COc1cc(OC)c(-c2cc(F)c(F)cc2S(=O)(=O)N2CCN(C)CC2)cc1CN1CCN(c2cc(C)ccc2C)CC1,AIKPWQYNUKVGCE-UHFFFAOYSA-N
rxn:4:202496:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)n1cnc2ccccc21,UOKXFHBZYXTMCG-UHFFFAOYSA-N
rxn:4:212839:223819,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc5cnccc5n4S(=O)(=O)c4ccccc4)ccn23)CC1,IXWVNZOHFMINJO-UHFFFAOYSA-N
rxn:4:212846:223844,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(S(=O)(=O)N6CCCC6)cc5C(F)(F)F)cc4)n(Cc4ccco4)c(=O)c23)C1,KEPFQLMEOXRYHY-UHFFFAOYSA-N
rxn:4:212851:223845,CCOc1cc2nc3c4cc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)ccc4n(CC(C)C)c3nc2cc1OCC,IRUXFVASLGYREJ-UHFFFAOYSA-N
rxn:4:213425:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc3ccn(CCC(=O)N4CCC(c5noc6cc(F)ccc56)CC4)c3c2)CC1,CYCZFJICMKHNOG-UHFFFAOYSA-N
rxn:4:213450:223845,Cc1nc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,WPRWAMYQEQFKGX-UHFFFAOYSA-N
rxn:4:213451:224017,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(N6CCCS6(=O)=O)cc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LGAMNLYPXHHQDP-UHFFFAOYSA-N
rxn:4:213451:224324,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(F)c(C(=O)N6CCC(=O)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OJGKVBPMTUJZNP-UHFFFAOYSA-N
rxn:4:213451:224580,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-n6ccnc6C)ccc5C5CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,WQTKVAWONLCHSX-UHFFFAOYSA-N
rxn:4:214388:222998,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)cc(C5CCCNC5)c4)c(OC)cc12)CC3,XNJNSEHOZFTNMV-UHFFFAOYSA-N
rxn:4:214388:223008,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCNCC5)ccc4F)c(OC)cc12)CC3,AJURPKJCYQGCOV-UHFFFAOYSA-N
rxn:4:214388:223944,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4c(C)c(Cl)cc5c4cnn5C4CCCCO4)c(OC)cc12)CC3,LNNZUAWLLFJNKS-UHFFFAOYSA-N
rxn:4:219145:223841,COc1cc2ncnc(N3CCC(Oc4ccncc4-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)C3)c2cc1OC,RLSZPHQERFXLGP-UHFFFAOYSA-N
rxn:4:219790:222423,CCc1ccc2ncc3c(-c4cccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)c4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1,VTVBNLXAXHKXDA-UHFFFAOYSA-N
rxn:4:221274:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)CC1,AWZGUGWMYBAGKU-UHFFFAOYSA-N
rxn:4:221274:225592,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1,ZXRXUMJCTGIJEO-UHFFFAOYSA-N
rxn:4:221274:225594,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCCC2)cc1,PTVQTLDXVARUEF-UHFFFAOYSA-N
rxn:4:221277:224950,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)c(CN2CCCC2)c1,SQWDAKXCVCYXQT-UHFFFAOYSA-N
rxn:4:221775:224398,Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)n(C)c2=O)c1,HKMNZOHGRXDWNM-UHFFFAOYSA-N
rxn:4:221781:224405,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c1C,VYGKMKGSUIKBBX-UHFFFAOYSA-N
rxn:4:221788:222524,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)cc1,GXMYWICJQACJPG-UHFFFAOYSA-N
rxn:4:221790:224018,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)n(C)c1=O,OPFFCHXNDHLPKS-UHFFFAOYSA-N
rxn:4:221986:223483,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc2)CC1,MZXNYKXBTUMFAL-UHFFFAOYSA-N
rxn:4:222133:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(-c3nnc4n(CCc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)cc2)CC1,FZCRYQOLGAVXJL-UHFFFAOYSA-N
rxn:4:222144:223908,COc1ccc(COc2cc(Cl)ccc2-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1,FXMMPVCEYDIPFS-UHFFFAOYSA-N
rxn:4:222362:222510,Cc1ccc(NC(=O)c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c(Cl)c1,GERUFOKGQHUIMC-UHFFFAOYSA-N
rxn:4:222362:223193,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(-c7nnn[nH]7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,FDOFLHSQFCPTMD-UHFFFAOYSA-N
rxn:4:222363:222996,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4C4CCCNC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LPUJLYJKCDXJFM-UHFFFAOYSA-N
rxn:4:222363:223729,Cc1cc(CN2CCN(c3c(-c4cc(C(C)(C)C)ccc4OCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WOMYKXRFXTVESO-UHFFFAOYSA-N
rxn:4:222363:223813,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCC6(CC5)OCCO6)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UDXCYHYCVOUJAA-UHFFFAOYSA-N
rxn:4:188029:222423,CCOC(=O)Cn1c2c(sc1=O)C1c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OCC1CS2,LILWOPKWIFPVRU-UHFFFAOYSA-N
rxn:4:194304:222423,COc1c(-c2ccc3c(C(=O)C4CC4)c[nH]c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HJCLDVUZGYDQLY-UHFFFAOYSA-N
rxn:4:194832:222423,COc1c(-c2ccc(C(=O)N3c4cc(C)ccc4-c4c(ssc4=S)C3(C)C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OADRJYUMJYTYKE-UHFFFAOYSA-N
rxn:4:200053:222423,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c1,AYLBNEOAHVDYHZ-UHFFFAOYSA-N
rxn:4:207892:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C=c1sc2nc3cc(C)c(C)cc3n2c1=O,OJYRNCAXPBCAFU-UHFFFAOYSA-N
rxn:4:213449:223845,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3c2-c2ccccc2)=NN1C(C)=O,SIZLNDWIVRHJOZ-UHFFFAOYSA-N
rxn:4:213450:222707,Cc1nc2ccc(-c3ccnc(CNC(=O)OC(C)(C)C)c3F)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,ZEEDWBITCLWZSB-UHFFFAOYSA-N
rxn:4:213450:222778,Cc1nc2ccc(-c3cncc(CNC(=O)OC(C)(C)C)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,ORQWMYLTADPEAH-UHFFFAOYSA-N
rxn:4:213450:224016,Cc1nc2ccc(-c3cn(S(=O)(=O)N(C)C)nc3-c3ccccn3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,ZCNJAGGMPLIONN-UHFFFAOYSA-N
rxn:4:214388:223137,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cncc(C5CCCNC5)c4)c(OC)cc12)CC3,MVXWHXSLGUTBLM-UHFFFAOYSA-N
rxn:4:218556:222423,CCN(CC)CCn1ncn(-c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2F)c1=O,XJVSLHZTULSJMI-UHFFFAOYSA-N
rxn:4:219189:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(OC)c(-c4nc(Cn5ccn6nc(-c7ccc(C)c(C)c7)cc6c5=O)c(C)o4)c3)c2)CC1,HILWLXBCVBDOMV-UHFFFAOYSA-N
rxn:4:219189:223842,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,MJYBYYRWCBNTKO-UHFFFAOYSA-N
rxn:4:219746:222630,Cc1cccc(Cn2c(=O)c3c(nc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)c1,VLRPNZXTXIAMKK-UHFFFAOYSA-N
rxn:4:221171:222423,CCc1ncnc(N2CCCC(COc3ncc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cn3)C2)c1F,AFNBVDBNKSSFEW-UHFFFAOYSA-N
rxn:4:221252:223995,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1,LVIQMMVACKOJDO-UHFFFAOYSA-N
rxn:4:221274:224290,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,JSPXSSVQLSDBES-UHFFFAOYSA-N
rxn:4:221539:223835,Cc1cc(F)c(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N1CCC(C)CC1,FDAMGWWRQFPUDS-UHFFFAOYSA-N
rxn:4:221565:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(Cc5ccco5)c(C)c(C)n34)n(C)c2=O)cc1,TUXQYLSBRPGKFP-UHFFFAOYSA-N
rxn:4:221756:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccccc5)n(C)c4=O)cc3)c(F)cc2C)CC1,MQZAJBSNVPOMFR-UHFFFAOYSA-N
rxn:4:221766:224398,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)cc1,RDPATKLQTDRZBR-UHFFFAOYSA-N
rxn:4:221769:224398,Cc1cc(C)cc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)c1,IYZDNUZITRBAAM-UHFFFAOYSA-N
rxn:4:221774:224398,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(S(=O)(=O)N4CCCC4)c(C)cc3F)cc2)n(C)c1=O,GWIMUVQBXINUTP-UHFFFAOYSA-N
rxn:4:221784:224398,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)n(C)c2=O)c1,GLTBPILEYIWMDH-UHFFFAOYSA-N
rxn:4:221791:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)cc3)c(F)ncc21,ZNHHWHIJSZPNOB-UHFFFAOYSA-N
rxn:4:221929:223845,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,VYANUVSUQKYZHF-UHFFFAOYSA-N
rxn:4:221929:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,IVIWMLCRVRBEJX-UHFFFAOYSA-N
rxn:4:221986:222423,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)CC1,DDIZWHJMNNNRAM-UHFFFAOYSA-N
rxn:4:221995:222715,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(Cl)c(F)c(NC(=O)OC(C)(C)C)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,PTFVVBZCUUSDRB-UHFFFAOYSA-N
rxn:4:222137:224218,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ccc(OCc3ccccc3)c2F)cc1,XKOVJQLXKMNEFT-UHFFFAOYSA-N
rxn:4:222144:224664,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)cc(CN3CCN(C)CC3)c2)cc1,YXLSVPRWBFPUKB-UHFFFAOYSA-N
rxn:4:222362:222661,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)Nc7ccccc7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,SDGRSQARHUHNJC-UHFFFAOYSA-N
rxn:4:222362:223830,CCN1CCN(S(=O)(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2C)CC1,YMFYOPCOAIIHIK-UHFFFAOYSA-N
rxn:4:222362:224018,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)cc6S(=O)(=O)N6CCOCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,FEKRDOYQBJYEBD-UHFFFAOYSA-N
rxn:4:222362:224286,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCCN7CCOCC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,QATDINLWMPRNTD-UHFFFAOYSA-N
rxn:4:222362:224647,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(O[Si](C)(C)C(C)(C)C)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,QHJDKMGKPAZTPC-UHFFFAOYSA-N
rxn:4:222362:224752,Cc1cc(S(=O)(=O)N2CCCC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,QVRCWSJJNUFYBU-UHFFFAOYSA-N
rxn:4:191190:222423,COc1c(-c2ccc(C3c4c(oc5cc(C)c(C)cc5c4=O)C(=O)N3Cc3ccco3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HUFXLHQKKHVZSX-UHFFFAOYSA-N
rxn:4:201174:222466,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,OTGWXYYCWNPTSS-UHFFFAOYSA-N
rxn:4:203242:222423,COc1c(-c2cnc(-c3ccc(OC(F)(F)F)cc3)cn2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VVWALNCXBKBTIZ-UHFFFAOYSA-N
rxn:4:207900:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccc(Cl)c2)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YZCIGGLIMOPFLG-UHFFFAOYSA-N
rxn:4:212841:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(OC)c(-c4nc(CSc5nc6ccccc6c(=O)n5C5CCCC5)c(C)o4)c3)c(F)cc2C)CC1,LALILRXXHRKSNB-UHFFFAOYSA-N
rxn:4:213448:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccc(OC)cc6)C5)c(-c5ccccc5)c4c3)c(F)cc2C)CC1,BSPRNKFWGREELS-UHFFFAOYSA-N
rxn:4:213450:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc2nc(C)c(C3=NN(C(=O)C(C)C)C(c4ccccc4F)C3)c(-c3ccccc3)c2c1,HUPOONRHTSCFGJ-UHFFFAOYSA-N
rxn:4:213450:222654,Cc1nc2ccc(-c3ccc(Cl)c(C(=O)NC4CCCCC4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,PWNHCURROYSXJQ-UHFFFAOYSA-N
rxn:4:213451:224978,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-n6ccnc6)ccc5C5CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VZIQLWQUGPTSEC-UHFFFAOYSA-N
rxn:4:213480:222846,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(C5CCCNC5)ccc4C#N)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,IGEJZUYFUKFOGM-KFWNXECCSA-N
rxn:4:218773:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(-n4c(SCC(=O)N5CCN(c6ccccc6)CC5)nc5c(c4=O)SCC5)cc3)c2)CC1,VRMIRKSAXMIQJI-UHFFFAOYSA-N
rxn:4:218785:223479,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc1-2,MGMQAXOHMFRDKG-UHFFFAOYSA-N
rxn:4:219163:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(CSc2nc(CC(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1,AZRGWDCHIISAAC-UHFFFAOYSA-N
rxn:4:219189:223136,COc1ccc(-c2ccncc2C2CCCNC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,JOVBCNPUIHMQFF-UHFFFAOYSA-N
rxn:4:221193:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)N4CCN(C)CC4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SEYZGKUGSMAITA-UHFFFAOYSA-N
rxn:4:221274:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)c(F)cc2C)CC1,PJURNQRKTUYPOF-UHFFFAOYSA-N
rxn:4:221274:224405,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1,PZQLLECANLFCBH-UHFFFAOYSA-N
rxn:4:221275:222602,CC(C)Cc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)c(S(=O)(=O)NC(C)(C)C)s1,NHGUIZRXFLACKZ-UHFFFAOYSA-N
rxn:4:221567:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)CC1,ZYNCBARVZPVDPN-UHFFFAOYSA-N
rxn:4:221574:225594,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)cc1,ZHUXILUFZUXIQX-UHFFFAOYSA-N
rxn:4:221766:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)cc3)n(C)c2=O)cc1,RSBOKKWDJWQPAG-UHFFFAOYSA-N
rxn:4:221776:224376,CC1CN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,GHUSYBZCSUGKBK-UHFFFAOYSA-N
rxn:4:221777:224011,CC1CN(c2ccc(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,LGBNKDPTTHFRAU-UHFFFAOYSA-N
rxn:4:221782:225594,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)c(C)c1,LBVJYKOHIGWTGV-UHFFFAOYSA-N
rxn:4:221790:225594,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)cc3CN3CCCC3)cc2)n(C)c1=O,VLTGQUHZPZXJFD-UHFFFAOYSA-N
rxn:4:221791:225594,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCCC2)cc1,NOOVZFCQQMLWNH-UHFFFAOYSA-N
rxn:4:221793:224398,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,FCSVKEYEGDGWFR-UHFFFAOYSA-N
rxn:4:221990:222729,CCCc1cc(-c2ccc(OC)c(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)cc(C2CCCNC2)n1,HVXKRJCLZSFCMT-UHFFFAOYSA-N
rxn:4:222144:224778,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)cc(OC3CCOCC3)cc2F)cc1,QJLYKFSNQAZMHI-UHFFFAOYSA-N
rxn:4:222362:224655,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(O[Si](C)(C)C(C)(C)C)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,NRXGMRNJWAJELH-UHFFFAOYSA-N
rxn:4:222362:227149,Cc1ccc2c(cnn2C)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,GPJNRCNTSWHCCK-UHFFFAOYSA-N
rxn:4:222363:222651,Cc1cc(CN2CCN(c3c(-c4cc(C(=O)NC5CCCCC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UGBDZHYNVYZJSU-UHFFFAOYSA-N
rxn:4:222363:223659,Cc1cc(CN2CCN(c3c(-c4cnn(CC5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HZNITMWKEPXLPS-UHFFFAOYSA-N
rxn:4:222363:223828,CCN1CCN(c2cc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc(C(F)(F)F)c2)CC1,USLGYFUHFDWSNV-UHFFFAOYSA-N
rxn:4:222363:224855,Cc1ccc(-c2ccc(C)cc2-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1,YOMBNTUZLQKHQS-UHFFFAOYSA-N
rxn:4:201184:223529,CC(C)(C)OC(=O)N1CCN(Cc2ccc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)cc2F)CC1,LMWVKQMRPRMKJM-UHFFFAOYSA-N
rxn:4:212767:223845,COCCn1c(=NC(=O)c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)s2)sc2cc(S(N)(=O)=O)ccc21,SAJUTLOEIYBUTB-UHFFFAOYSA-N
rxn:4:212845:222524,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)c4)n(Cc4ccco4)c(=O)c23)C1,HJZAEBYYOQBNBK-UHFFFAOYSA-N
rxn:4:212846:223841,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(S(=O)(=O)N6CCN(C)CC6)c(C)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,AXUBIIISPLMRCB-UHFFFAOYSA-N
rxn:4:213445:222461,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)cc(F)c7sc(NC(=O)OC(C)(C)C)nc67)c(OC)ccc5c4)nc23)cc1OC,HQXBNVICUQXCJH-UHFFFAOYSA-N
rxn:4:213450:224310,Cc1nc2ccc(-c3cc(-n4cccn4)cc(-n4cccn4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,WTSWOXJYPJIVNB-UHFFFAOYSA-N
rxn:4:213451:223588,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cnc(N6CCN(C(=O)OC(C)(C)C)CC6)c(C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HTURUVFSQXBIQK-UHFFFAOYSA-N
rxn:4:213451:224100,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccccc5OCCN5CCC(C)CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LYPMHLFUQZAQMY-UHFFFAOYSA-N
rxn:4:213475:222850,COc1cc(-c2cc(C3CCNCC3)ccc2C#N)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,CIFCTPRYVADVAQ-NZQBQMMGSA-N
rxn:4:214250:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(=O)n(Cc5ccc(Cl)cc5)c(=O)c5ncccc54)cc3)c(F)ncc21,RFKBHNIYHLCNNA-UHFFFAOYSA-N
rxn:4:214329:223845,CCCN1C(=O)C(=Cc2nc3ccccc3c(=O)n2CC)c2cc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)ccc21,ABQPDDJBMYUYBM-UHFFFAOYSA-N
rxn:4:214388:222423,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c(OC)cc12)CC3,SFSGHYRZZOKULO-UHFFFAOYSA-N
rxn:4:215240:222423,COc1c(-c2ccc(C3=NN(c4ccccc4)C4C(=O)N(c5ccc6c(c5)OCCO6)C(=O)C34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AQSQVHLQITZOJM-UHFFFAOYSA-N
rxn:4:218774:223134,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cnccc6C6CCCNC6)ccc5OC)oc4C)ccn3n2)cc1,ZFTQJAWRGMFZAX-UHFFFAOYSA-N
rxn:4:219189:223999,COc1ccc(-c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,XJYVCNYRGYRIAL-UHFFFAOYSA-N
rxn:4:219773:222524,CCn1cc(-c2nc(-c3cccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21,OERWPLXTWUEJJU-UHFFFAOYSA-N
rxn:4:220259:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(=O)c5c(nc6oc(-c7ccccc7)cn65)n(C)c4=O)cc3)c(F)ncc21,HPSRJSFYBSSBMC-UHFFFAOYSA-N
rxn:4:221274:225593,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)cc(CN3CCCC3)c2)cc1,LFJSBJQAWKINHS-UHFFFAOYSA-N
rxn:4:221277:225123,Cn1c(=O)n(Cc2ccc(-c3ccncc3OCC3CCCCO3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,RHHRDMRKJWPBGG-UHFFFAOYSA-N
rxn:4:221538:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(CN3CCCCC3C)nc3c2c(=O)n(C)c(=O)n3C)cc1,SHPBAIRCPNQMOQ-UHFFFAOYSA-N
rxn:4:221539:224193,CCN1CCN(Cc2cc(-c3ccc(Cn4c(CN5CC(C)OC(C)C5)nc5c4c(=O)n(C)c(=O)n5C)cc3)ccc2F)CC1,ZZNSODHBWYCDKY-UHFFFAOYSA-N
rxn:4:221566:224398,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)cc1,KYCMCZOFXIMYOD-UHFFFAOYSA-N
rxn:4:221771:223845,CC1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)c(=O)n3C)n2C1,RREYQEGAPLYLFR-UHFFFAOYSA-N
rxn:4:221784:225594,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)n(C)c2=O)c1,IXIVHTVPTGUHBJ-UHFFFAOYSA-N
rxn:4:221995:223105,CNS(=O)(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)c(F)cc1C,MCXCFVQTADKERI-UHFFFAOYSA-N
rxn:4:222019:223497,CC(c1ccc(-c2ccc(-n3cnnn3)cc2C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1)N1CCC(O[Si](C)(C)C(C)(C)C)CC1,PCKGJHUDVNCGDU-UHFFFAOYSA-N
rxn:4:222044:222423,COc1c(-c2ccc(S(=O)(=O)N3CCN(c4ccc(-n5ccc(C)n5)nn4)CC3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HDTPBDVQCSFSLK-UHFFFAOYSA-N
rxn:4:222137:224214,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccc(Cl)cc2)cc1,UBMGZNZMBSEGEM-UHFFFAOYSA-N
rxn:4:222143:223666,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)cc1,KTOIILDOEQMGMU-UHFFFAOYSA-N
rxn:4:222205:223753,Cc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,OEBRJDZACSHKKP-UHFFFAOYSA-N
rxn:4:222362:222534,Cc1cccc(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)c1C,PMWIQPFURKCSTA-UHFFFAOYSA-N
rxn:4:222363:223708,Cc1cc(CN2CCN(c3c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NWASDPAEQIIKDI-UHFFFAOYSA-N
rxn:4:222363:223807,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5cccc(C(F)(F)F)c5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UJQCHGMUNJYKFN-UHFFFAOYSA-N
rxn:4:222363:223920,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N(C)C5CCCCC5)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AQKYSUWDBRBWRW-UHFFFAOYSA-N
rxn:4:222363:225378,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)N(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AXSXDGKAVGLARC-UHFFFAOYSA-N
rxn:4:222363:227536,CCOc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)cc1F,MTOMRSPUVWAXAL-UHFFFAOYSA-N
rxn:4:200054:222538,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1,GSGHYAQTQUDJMW-UHFFFAOYSA-N
rxn:4:201186:223527,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(F)cc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,RVGLIBYAVRJTER-UHFFFAOYSA-N
rxn:4:201188:222423,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c1,TUIIIPZWGGBTOK-UHFFFAOYSA-N
rxn:4:202760:223570,COc1cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)oc12,IVLWLQZPJRQZDJ-UHFFFAOYSA-N
rxn:4:212727:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccccc3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MNCMVJUGJLQXGV-UHFFFAOYSA-N
rxn:4:212846:223845,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4)n(Cc4ccco4)c(=O)c23)C1,BCRGDABROBTLMV-UHFFFAOYSA-N
rxn:4:213359:222423,COc1c(-c2ccc(-n3c(SCC(=O)N4CCCC4)nc4c(c3=O)SCC4)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XUGDFDKIXKATRJ-UHFFFAOYSA-N
rxn:4:213445:223840,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6ccc(OC)c(S(=O)(=O)N7CCN(C)CC7)c6)c(OC)ccc5c4)nc23)cc1OC,MDLRRSDHIYIWDR-UHFFFAOYSA-N
rxn:4:213450:223944,Cc1nc2ccc(-c3c(C)c(Cl)cc4c3cnn4C3CCCCO3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,CXSLUMFVZJXYLV-UHFFFAOYSA-N
rxn:4:213450:226330,Cc1nc2ccc(-c3ccc(C(C)N4CCCC4)s3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,RLLGSRLEJZCABN-UHFFFAOYSA-N
rxn:4:213451:222623,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(C)CC)nc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZVPNPECFYOCYLH-UHFFFAOYSA-N
rxn:4:213451:222718,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)N6CCNCC6)ccc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,KGHXDCBTUFEDON-UHFFFAOYSA-N
rxn:4:213451:223525,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,TWNWDKQAGKRECF-UHFFFAOYSA-N
rxn:4:213459:222423,COC(=O)CC[C@@H]1C=C(c2ccccn2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2-n2c(C)cnc21,UJEGSRFEOSIXFL-AREMUKBSSA-N
rxn:4:213480:222423,COc1c(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SWJYQJXKOQUJOG-HCXKVUEASA-N
rxn:4:213481:222423,COc1c(-c2cncc(C(=O)OCC3CN(C)C4Cc5cn(C)c6cccc(c56)C4(OC)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KSGXVETVKCJGTE-UHFFFAOYSA-N
rxn:4:213481:222537,COC12CC(COC(=O)c3cncc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,LZRQHUYGNIZIQQ-UHFFFAOYSA-N
rxn:4:214388:222616,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCNCC5)cc(C(C)(C)C)c4)c(OC)cc12)CC3,NLURJQVTORALBJ-UHFFFAOYSA-N
rxn:4:214388:223784,CCN1CCN(CCOc2ccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)cc2F)CC1,DXWSITLZRMVLBH-UHFFFAOYSA-N
rxn:4:215283:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3oc4c(c(=O)c3c2)C(c2ccc([N+](=O)[O-])cc2)N(c2cccc(C)n2)C4=O)CC1,BNPBNXQAZRLTKM-UHFFFAOYSA-N
rxn:4:215310:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(C3C4=C(OC(C)=O)c5ccccc5C4=Nc4c3c(=O)n(C)c(=O)n4C)cc2)CC1,ZMFFJZUMDNVUMR-UHFFFAOYSA-N
rxn:4:221567:224398,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,NWWTYVXVELJMJQ-UHFFFAOYSA-N
rxn:4:221570:222742,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)c(=O)n2C)c1,RNQLHDYEVNLYBP-UHFFFAOYSA-N
rxn:4:221744:222423,COc1c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CC(C)=O)c(=O)n(C)c5nc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WHCPNAKHEMDLSC-UHFFFAOYSA-N
rxn:4:221773:223845,Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)n(C)c2=O)cc1,MSWQXIHDFQLPIR-UHFFFAOYSA-N
rxn:4:221782:222612,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)c(=O)n2C)c(C)c1,GARRAGOKYZNMJH-UHFFFAOYSA-N
rxn:4:221782:225592,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)c(C)c1,PVTHXRZSLBPGOY-UHFFFAOYSA-N
rxn:4:221783:222466,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,QKBUTUUKCDSTRV-UHFFFAOYSA-N
rxn:4:221784:224015,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)n(C)c2=O)c1,AMNQPNYSZCXCPF-UHFFFAOYSA-N
rxn:4:221784:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)c(F)cc1C,VHNAOQCDVLEBRJ-UHFFFAOYSA-N
rxn:4:221995:225050,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(F)cc(N6CCC(C)CC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,ZSFCCXFGWVHUBW-UHFFFAOYSA-N
rxn:4:222124:224194,CCN1CCN(Cc2ccc(-c3cccc(-c4noc(CN5N=NC6C(=O)N(c7ccc8c(c7)CCC8)C(=O)C65)n4)c3)cc2Cl)CC1,DBSXSUVEDQQEBA-UHFFFAOYSA-N
rxn:4:222137:228442,COc1cc(Cl)c(F)cc1-c1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1,GGKLTVULZWYNMA-UHFFFAOYSA-N
rxn:4:222362:224423,CCC[C@H]1CC[C@H](c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)CC1,MICNACOTSIBHHC-UNWRIRMBSA-N
rxn:4:222363:228275,COc1c(F)cc(C)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,ADHPQMXFSDXCPD-UHFFFAOYSA-N
rxn:4:201189:222621,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(CC(C)C)nc(C3CCCNC3)c2)cc1,HFEILYSWBAJWFO-UHFFFAOYSA-N
rxn:4:204843:223570,Cc1cc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)ccc1-c1c(F)ncc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C,MFIQAUMKXANACN-UHFFFAOYSA-N
rxn:4:212682:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3cccc(Cl)c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CUDGZKDXVXUHBF-UHFFFAOYSA-N
rxn:4:212805:222423,CCN(CC)S(=O)(=O)c1ccc(C(=O)N=c2sc3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3n2C)cc1,MMRZVDNESCMPPS-UHFFFAOYSA-N
rxn:4:212842:222423,COc1c(-c2ccc3[nH]cc(CCc4nc5ccccc5c(=O)n4-c4cccc(OC(C)C)c4)c3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OKGJQSDGJLPOCN-UHFFFAOYSA-N
rxn:4:212846:222447,COc1ccc2c(c1-c1ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc1)N=C(NC(=O)OC(C)(C)C)C2,RAUQBKKADWBHHK-UHFFFAOYSA-N
rxn:4:212846:222524,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)cc4)n(Cc4ccco4)c(=O)c23)C1,RUSAWEVOJMYIKY-UHFFFAOYSA-N
rxn:4:213162:222423,COc1ccc(S(=O)(=O)N2CCC(Oc3ncc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cn3)CC2)cc1F,RNQPMRLYAOFZJB-UHFFFAOYSA-N
rxn:4:213361:222423,C#CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,XHRLSZNRZBDGRF-UHFFFAOYSA-N
rxn:4:213397:222423,COc1c(-c2ccc(-n3c(SCC(=O)N4CCc5ccccc54)nc4c(c3=O)SCC4)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OWTDTNFKRJMXSW-UHFFFAOYSA-N
rxn:4:213450:222524,Cc1nc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,FEJVXKGEFUIFAV-UHFFFAOYSA-N
rxn:4:214084:222423,COc1c(-c2ccc(-c3nc(S(=O)(=O)N4CCCN(C)CC4)c(-c4ccc(Cl)cc4)o3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LTBCYIWJCNUDRC-UHFFFAOYSA-N
rxn:4:214161:222423,COc1nc(N(C)Cc2ccc3c(c2)OCCO3)ncc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,CYEVESKQRZBLGY-UHFFFAOYSA-N
rxn:4:214294:222423,COc1c(-c2cnc(OCC3CCCN(C4Cc5ccccc5C4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RHGIJDNMAUOMDK-UHFFFAOYSA-N
rxn:4:214361:222423,COc1c(-c2ccc3c(c2)nc([C@@H]2CCCC(=O)N2c2ccc(F)c(F)c2)n3[C@H]2CC[C@H](OC)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KLQGJLGPLVPEHB-CSUQWLJZSA-N
rxn:4:214388:222462,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)c(OC)cc12)CC3,HHKDAMCJXAHBFU-UHFFFAOYSA-N
rxn:4:214388:223027,CCCNC(=O)c1cc(F)cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1,FYBMMGSAPUNSTD-UHFFFAOYSA-N
rxn:4:214388:224300,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(=O)N5CCSCC5)cc4OC)c(OC)cc12)CC3,KVOBDSXZVKVHTE-UHFFFAOYSA-N
rxn:4:214388:225139,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(-n5cnc(C)c5)c(C#N)c4)c(OC)cc12)CC3,VXBRHTUBOYCXRU-UHFFFAOYSA-N
rxn:4:214388:225957,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(-c5cncnc5)nc4F)c(OC)cc12)CC3,XFVHRANIHJKQFP-UHFFFAOYSA-N
rxn:4:215310:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc(C4C5=C(OC(C)=O)c6ccccc6C5=Nc5c4c(=O)n(C)c(=O)n5C)cc3)c3ccccc23)CC1,WZNPHIJDTJIGLC-UHFFFAOYSA-N
rxn:4:218588:222423,COc1c(-c2cnc(OCC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,INDGHQUWNJEJRJ-UHFFFAOYSA-N
rxn:4:221273:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6CCc5ccccc5)n(C)c4=O)cc3)c(F)cc2C)CC1,OOJLXXBCOBKFFN-UHFFFAOYSA-N
rxn:4:221274:222465,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,NGWNRCUDTLLYGV-UHFFFAOYSA-N
rxn:4:221274:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)CC1,QFEFSGHRGHRUGC-UHFFFAOYSA-N
rxn:4:221565:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(Cc6ccco6)c(C)c(C)n45)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,RETUQDIHNADGOV-UHFFFAOYSA-N
rxn:4:221776:224015,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCOCC1,XNEVQMQHEMBSJH-UHFFFAOYSA-N
rxn:4:221778:223570,CC1CN(c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,GDNBLGSKZGNEBV-UHFFFAOYSA-N
rxn:4:221781:225594,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)c1C,XPWCLYBFVCETAQ-UHFFFAOYSA-N
rxn:4:221784:222824,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)n(C)c2=O)c1,ZGYDFVWQQLAJMC-UHFFFAOYSA-N
rxn:4:221995:223668,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(OCc6ccccc6)cc5OC(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OHASYFVDCHDTOX-UHFFFAOYSA-N
rxn:4:221995:223741,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(CN6CCCc7ccccc76)ccc5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,MWDXKTMZUSADEK-UHFFFAOYSA-N
rxn:4:222137:224230,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(Cl)c(F)c(OCc3ccccc3)c2)cc1,RFVWGAVUNGPVNJ-UHFFFAOYSA-N
rxn:4:222144:224665,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2CN2CCN(C)CC2)cc1,NKJXOYDQPSVRDH-UHFFFAOYSA-N
rxn:4:222362:224307,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(F)cc(O[Si](C)(C)C(C)(C)C)cc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,BWHVAISUAFQCBZ-UHFFFAOYSA-N
rxn:4:222363:225289,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ccc4OC(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RCIANCMRKHUZGP-UHFFFAOYSA-N
rxn:4:185647:222423,COc1c(-c2ccc3c(c2)CC[C@H]2N(C(=O)OC(C)(C)C)CC[C@@]32S(=O)(=O)c2ccc(F)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OEHIXXPADUHAFU-GJSZZFLHSA-N
rxn:4:188026:222621,CC(C)Cc1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(CC2CCCO2)C4=O)cc(C2CCCNC2)n1,DQNXXFBXTAMYDK-UHFFFAOYSA-N
rxn:4:201186:223523,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(S(=O)(=O)N6CCN(CC)CC6)c6ccccc56)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,DAEKUEYFOZFWFM-UHFFFAOYSA-N
rxn:4:212754:222423,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,UIVIBLDEXDAZJG-UHFFFAOYSA-N
rxn:4:212846:222956,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(C)cc5C5CCCNC5)cc4)n(Cc4ccco4)c(=O)c23)C1,IJWXWSSPAIHODU-UHFFFAOYSA-N
rxn:4:213030:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4ccc(F)cc4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MDHRESOOVHHXQC-UHFFFAOYSA-N
rxn:4:213451:224771,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QBOMUVMHJNSWNL-UHFFFAOYSA-N
rxn:4:213460:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccncc2)N(CCCN(C)C)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SAKRNSJNAHSPNS-UHFFFAOYSA-N
rxn:4:213475:224017,COc1cc(-c2ccc(N3CCCS3(=O)=O)cc2C(F)(F)F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,VVCOFAQMTYWJFB-GVBKHFFQSA-N
rxn:4:214051:222423,COc1c(-c2nc(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c(C(C)C)s2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GDUHHINOQLPBBV-UHFFFAOYSA-N
rxn:4:214252:222423,COc1c(-c2ccc(N3C(=NC(=O)c4cccc([N+](=O)[O-])c4)SC4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BBZRPJRDNACOPH-UHFFFAOYSA-N
rxn:4:214303:222423,COc1c(-c2ccc(Oc3nc4ccccn4c(=O)c3C=C3SC(=S)N(C(C)C)C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WDJFIIBTOYRHFK-UHFFFAOYSA-N
rxn:4:214359:223816,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)cc3c2-c2ccccc2)CC1c1ccc(F)cc1,XUHKDKMGNVIRGU-UHFFFAOYSA-N
rxn:4:214370:222423,COCCn1c(-c2cccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c2)nc2c(c(=O)c3ccccc3n2C)c1=O,KYLGZRBVJOQGCC-UHFFFAOYSA-N
rxn:4:214388:222461,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)c(OC)cc12)CC3,KLGSXRDPROBCNX-UHFFFAOYSA-N
rxn:4:214388:223532,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)c(OC)cc12)CC3,HQPLOICONAZGNN-UHFFFAOYSA-N
rxn:4:214388:223816,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc5c(Cl)ccnc5n4COCC[Si](C)(C)C)c(OC)cc12)CC3,VYWHKRPYDFOROF-UHFFFAOYSA-N
rxn:4:215154:222423,COc1c(-c2cc(C(C)C)c(S(=O)(=O)n3nnc4ccccc43)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JYBSWTZXIZRAPG-UHFFFAOYSA-N
rxn:4:221275:227298,CC1CN(c2ccc(-c3cc(F)ccc3CN(C)C)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,IMOMWTJKCPNEFW-UHFFFAOYSA-N
rxn:4:221277:222513,COc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,AYJGJSCMUDNGHU-UHFFFAOYSA-N
rxn:4:221569:223845,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)n2C)cc1,LRJWZMNGJZUSMF-UHFFFAOYSA-N
rxn:4:221777:224665,CC1CN(c2ccc(-c3ccc(F)cc3CN3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,JAZOUGFGPTZWMO-UHFFFAOYSA-N
rxn:4:221781:222612,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)c(=O)n2C)c1C,FKZCNFGXXVQQHA-UHFFFAOYSA-N
rxn:4:221781:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5cccc(C)c5C)n(C)c4=O)cc3)c(F)cc2C)CC1,RMYSRMQSDHZTOL-UHFFFAOYSA-N
rxn:4:221781:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3C)n(C)c2=O)cc1,UXETYHRDIWTIIQ-UHFFFAOYSA-N
rxn:4:221781:225592,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)c1C,PAJUWRKWHLZSQA-UHFFFAOYSA-N
rxn:4:221784:225592,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)n(C)c2=O)c1,NNUHCMORXFSITN-UHFFFAOYSA-N
rxn:4:221787:225592,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)c1,HEOZDFOBVBGMQG-UHFFFAOYSA-N
rxn:4:221929:224302,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,HMBQRHMODCXUAF-UHFFFAOYSA-N
rxn:4:221988:223578,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)ccc3OC)nnc12,BSHVYLAFABCFMS-UHFFFAOYSA-N
rxn:4:221990:222730,CCCc1cc(-c2ccc(OC)c(-c3nnc4n(CCC(C)C)c5c(=O)n(C)c(=O)n(C)c5n34)c2)cc(C2CCNCC2)n1,OLWHVMDALXEMNP-UHFFFAOYSA-N
rxn:4:222137:224207,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(OCc3cccc(F)c3F)cc2)cc1,HQECUBMDHQLRLI-UHFFFAOYSA-N
rxn:4:222138:227674,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)cc(C)c(F)c1F,WBQCPXCMDCBJGE-UHFFFAOYSA-N
rxn:4:222142:224206,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccc(F)cc2)cc1,SZCRVEUFBRJIIB-UHFFFAOYSA-N
rxn:4:222206:222538,Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)n(C)c1=O,DBIFDOLLXJDTOQ-UHFFFAOYSA-N
rxn:4:222362:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,DYVUREJKZSSYBR-UHFFFAOYSA-N
rxn:4:222362:223806,COc1ccc(COc2c(F)ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2F)cc1,PGSONYNNEDFIFQ-UHFFFAOYSA-N
rxn:4:222363:223991,Cc1cc(CN2CCN(c3c(-c4c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NRJBDCYGEVOBPO-UHFFFAOYSA-N
rxn:4:222363:227148,Cc1cc(CN2CCN(c3c(-c4cc5cnn(C)c5cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VNGVXVARHPMRRU-UHFFFAOYSA-N
rxn:4:185532:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)c3ccc(Cl)cc3)c3ccc4oc(=O)sc4c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CFZWAMIZWMVGJT-UHFFFAOYSA-N
rxn:4:190697:223154,CCCCN1C(=O)C(=O)c2cc(-c3ccc(F)c(C(=O)NCC)c3)ccc21,HVLJPHSTENYKOR-UHFFFAOYSA-N
rxn:4:190948:222423,COC(=O)C1=CN(c2ccc(F)c(F)c2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2S1(=O)=O,IGUJEPHPNNRRJI-UHFFFAOYSA-N
rxn:4:204769:222423,COc1c(-c2ccc(C3c4cccn4CCN3S(=O)(=O)c3cccc(F)c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CTFXPDBLXSGEAT-UHFFFAOYSA-N
rxn:4:204825:222423,COc1c(-c2ccc(CN3C(=O)N(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RQTXXIKYYDTFGE-UHFFFAOYSA-N
rxn:4:212747:222423,COc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZNAGONKZBZJSJK-UHFFFAOYSA-N
rxn:4:212756:222423,COCCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,AKGYHANUKXPKHG-UHFFFAOYSA-N
rxn:4:212809:222423,COc1c(-c2ccc3c(c2)sc(=NC(=O)CSCC(=O)N2CCCc4ccccc42)n3C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LGSSYYDPWXCNHD-UHFFFAOYSA-N
rxn:4:212829:222423,COc1c(-c2ccc3[nH]c(C(=O)N(C)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MONDIUKZFBHAMK-UHFFFAOYSA-N
rxn:4:213026:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4cccc(Cl)c4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WTSVEDDKHVROFY-UHFFFAOYSA-N
rxn:4:213261:222423,COc1c(-c2ccc(CN3CCN(CC(F)(F)F)CC3)c(N3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZGCFRGDYIIJPHA-UHFFFAOYSA-N
rxn:4:213405:222423,COc1c(-c2ccc(-n3c(C)cc(C(=O)CSc4ncnc5sc(C)c(C)c45)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CBNRJPOAFGFCMW-UHFFFAOYSA-N
rxn:4:213423:222423,COc1c(-c2ccc(N3CC(c4nc5ccccc5n4CCC(C)C)CC3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FPSNFCRMZXNATH-UHFFFAOYSA-N
rxn:4:213445:222854,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C7CCCNC7)ccc6OC)c(OC)ccc5c4)nc23)cc1OC,AIMTVZMFOVBEKR-UHFFFAOYSA-N
rxn:4:213450:223993,Cc1cc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)ccc1S(=O)(=O)N1CCN(C)CC1,AOUXCAMRSKZEMK-UHFFFAOYSA-N
rxn:4:213451:222541,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(=O)NCCN6CCCCC6)cc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,INVVMKZUDADKRJ-UHFFFAOYSA-N
rxn:4:213451:223953,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(F)cc(N6CCN(CCOC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,CABWCBHDJPPKIT-UHFFFAOYSA-N
rxn:4:213451:225753,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(=O)OC)cnc5C5CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VGXQXEVZVLDYHQ-UHFFFAOYSA-N
rxn:4:213471:222423,COc1c(-c2ccc(S(=O)(=O)N3CCN(CCN4C(=O)C5C6C=CC(C6)C5C4=O)CC3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OQPSMVICZJWJDK-UHFFFAOYSA-N
rxn:4:213970:222423,COc1c(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BGPYZPGDASLHOO-UHFFFAOYSA-N
rxn:4:214388:222442,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(S(=O)(=O)NC5CCCC5)c5ccccc45)c(OC)cc12)CC3,CBWPUTLPVPMPSS-UHFFFAOYSA-N
rxn:4:214388:222473,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(=O)NCc5ccccc5)cc4OC)c(OC)cc12)CC3,FDWUPRCJMVKYRI-UHFFFAOYSA-N
rxn:4:214388:223060,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(Cl)nc(C5CCNCC5)c4)c(OC)cc12)CC3,PPJFIMFYQGWYPN-UHFFFAOYSA-N
rxn:4:214388:223547,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c(OC)cc12)CC3,QXXQRSLAAGKVBY-UHFFFAOYSA-N
rxn:4:214388:226480,CCCCOc1ccc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(F)n1,HSRKRPFEWCZRHX-UHFFFAOYSA-N
rxn:4:218774:223136,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6ccncc6C6CCCNC6)ccc5OC)oc4C)ccn3n2)cc1,WOABPFAZHFUDRP-UHFFFAOYSA-N
rxn:4:221233:223570,Cc1cn2nc(OCC3CCN(C(=O)c4cncc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)c4)CC3)ccc2n1,GBDMTRMJISESOJ-UHFFFAOYSA-N
rxn:4:221252:223827,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C(F)(F)F)ccc2N2CCN(CC)CC2)cc1,QONSAEKFBWJKAT-UHFFFAOYSA-N
rxn:4:221274:222524,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1,LIFVDMUJTVVSJS-UHFFFAOYSA-N
rxn:4:221274:224398,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,OOKNPQNVWFYKBQ-UHFFFAOYSA-N
rxn:4:221781:225295,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c1C,ANZMGXIBTZHYSA-UHFFFAOYSA-N
rxn:4:221782:224950,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)c(CN2CCCC2)c1,SNIZRXQZTFZWCN-UHFFFAOYSA-N
rxn:4:221986:222440,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3C(F)(F)F)cc2)CC1,VRRRZRTVOBVYGT-UHFFFAOYSA-N
rxn:4:222137:224224,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2OCc2ccc(F)cc2F)cc1,XYGYXOPQXPLYLK-UHFFFAOYSA-N
rxn:4:222137:224238,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)c(OCc3ccccc3)c2F)cc1,FZJMOYGCENZGKW-UHFFFAOYSA-N
rxn:4:222137:224240,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(OCc3ccccc3)c(Cl)c2F)cc1,IBTVCSOXCFPGAK-UHFFFAOYSA-N
rxn:4:222206:222537,Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)n(C)c1=O,IERORQVHBXQNFQ-UHFFFAOYSA-N
rxn:4:222362:223562,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CC7CCN(C(=O)OC(C)(C)C)CC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GUGAXFHIIOSKIT-UHFFFAOYSA-N
rxn:4:222362:224662,CN1CCN(Cc2ccc(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,DHNKHSLKSHJHAS-UHFFFAOYSA-N
rxn:4:222363:225167,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(C(=O)N5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CSNQCNPLCBKXAR-UHFFFAOYSA-N
rxn:4:222363:226760,COC(=O)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(F)c1F,RAMWSNRMAAIPDL-UHFFFAOYSA-N
rxn:4:199992:223570,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c1OCC,ACAKJCLCHMWCDQ-UHFFFAOYSA-N
rxn:4:200025:223154,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NCC)c3)ccc21,JMPZVTJYJLGACS-UHFFFAOYSA-N
rxn:4:200053:222615,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)c1,WVXOLQZAKBBPDZ-UHFFFAOYSA-N
rxn:4:201189:222624,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(CC(C)C)nc(C3CCNCC3)c2)cc1,APWHRGLAUCCHJH-UHFFFAOYSA-N
rxn:4:204958:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(C(C)(C)C)cc3)N(c3nc(C)cs3)C5=O)c3ccccc23)CC1,MOIMEONNOLBOBG-UHFFFAOYSA-N
rxn:4:206740:222423,COc1c(-c2ccc(N3CCC(F)(F)CC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RAQBYFHJCRCMNX-UHFFFAOYSA-N
rxn:4:212683:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccc(Cl)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QVCWSHDVVRAGQG-UHFFFAOYSA-N
rxn:4:212832:222423,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc1)SCC2,GEENPBYPCBBBPT-UHFFFAOYSA-N
rxn:4:213315:223570,C#CCn1c(=NC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)s2)sc2cc(S(N)(=O)=O)ccc21,FKEVERHYFYGQIX-UHFFFAOYSA-N
rxn:4:213417:222423,CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,MUCJNSIWKJBPIR-UHFFFAOYSA-N
rxn:4:213450:223992,Cc1ccc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)cc1S(=O)(=O)N1CCN(C)CC1,YXTSRGQTKDHVJI-UHFFFAOYSA-N
rxn:4:213451:222440,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)NCc6ccco6)cc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LOLSGRGZLPFHIC-UHFFFAOYSA-N
rxn:4:213451:222706,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CCNCC6)ccc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SBCLUSMXGBRBIC-UHFFFAOYSA-N
rxn:4:213451:223679,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C)c(S(=O)(=O)N6CCN(CC)CC6)c(C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,YKYRJKFXAMKMTJ-UHFFFAOYSA-N
rxn:4:213451:223958,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(=O)N6CCN(CC)CC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SQQWJIRLYOLDTG-UHFFFAOYSA-N
rxn:4:213451:224197,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCN(CC)CC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,NGILTSBPDDGTAT-UHFFFAOYSA-N
rxn:4:213451:225176,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCOCC6)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,DAZYFJQATRBKSI-UHFFFAOYSA-N
rxn:4:214029:222423,COc1c(-c2cnc(N3CCCC(C(=O)N4CCSCC4)C3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KGUSXSITIBNYQU-UHFFFAOYSA-N
rxn:4:214137:222423,COc1ccc(Cn2nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c3cc([N+](=O)[O-])ccc32)cc1,LPXGBHFIJSVUOM-UHFFFAOYSA-N
rxn:4:214339:222423,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4cc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)ccc43)C2=O)cc1,JIPCZGTZLYMPOB-UHFFFAOYSA-N
rxn:4:214358:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc3nc(C)c(C4=NN(C(C)=O)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)CC1,OSLFCPGKUPVETL-UHFFFAOYSA-N
rxn:4:214388:222486,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cncc(-c5cncc(C6CCCCN6)c5)c4)c(OC)cc12)CC3,PWWLJJJLCBTSNE-UHFFFAOYSA-N
rxn:4:218764:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(c(=O)n(CCCc3ccccc3)c(=O)n2C)n1Cc1ccccc1Cl,FAKWYFWLDYFCQP-UHFFFAOYSA-N
rxn:4:218774:224950,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6ccc(OC)cc6CN6CCCC6)ccc5OC)oc4C)ccn3n2)cc1,DIVXRAAHQSTQLH-UHFFFAOYSA-N
rxn:4:221539:222515,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(CNS(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)CC(C)O1,PDGHWQOGJVPYKU-UHFFFAOYSA-N
rxn:4:221567:223541,Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,UGONQVOUSWBJRK-UHFFFAOYSA-N
rxn:4:221782:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(C)cc5C)n(C)c4=O)cc3)c(F)cc2C)CC1,CZYWCFJQFOYTBH-UHFFFAOYSA-N
rxn:4:221929:224468,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(-c6ccsc6)cc(C(C)(C)C)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,JQQXYJXRRZYBBE-UHFFFAOYSA-N
rxn:4:221961:222462,Cn1cc(-c2cnc(OC3CCN(C(=O)c4cncc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)c4)CC3)nc2)cn1,YDJAVAGZEVSOBG-UHFFFAOYSA-N
rxn:4:221990:222704,COc1ccc(-c2ccc(C3CCNCC3)c(C(F)(F)F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,TUUVFNXMJPCQBZ-UHFFFAOYSA-N
rxn:4:221995:224665,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(F)cc5CN5CCN(C)CC5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,MQGLEYCUAOEWGR-UHFFFAOYSA-N
rxn:4:222134:225378,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N(C)C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,KUHYXLWEXNZVML-UHFFFAOYSA-N
rxn:4:222138:224226,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cc1,PHOASZIPLVTKTE-UHFFFAOYSA-N
rxn:4:222144:225206,Cc1cc(C2CC2)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1C(F)(F)F,RTKJCWUFDABHBT-UHFFFAOYSA-N
rxn:4:222195:222486,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cncc(-c4cncc(C5CCCCN5)c4)c3)c2)CC1,QZRZQVYENHHPAE-UHFFFAOYSA-N
rxn:4:222207:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2nnc3n(Cc4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,UUXVAJGYINJHIL-UHFFFAOYSA-N
rxn:4:222362:222430,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)Nc7ccc(OC(F)(F)F)cc7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,HTNXJMNLRMBCEQ-UHFFFAOYSA-N
rxn:4:222362:223902,CC1CCN(CCOc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2F)CC1,UQWMHXLHDDYTKI-UHFFFAOYSA-N
rxn:4:222363:223499,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JSEFIMSLRGEREP-UHFFFAOYSA-N
rxn:4:222363:223575,Cc1cc(CN2CCN(c3c(-c4ccccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QXNZPTNQZOTAPD-UHFFFAOYSA-N
rxn:4:222363:224290,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)cc4OCCN4CCOCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BJKFGMCBYAGOOV-UHFFFAOYSA-N
rxn:4:185611:222423,COc1c(-c2ccc(-c3c(C)oc4cc(OCCN5CCOCC5)ccc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OXAREKSERYPJAC-UHFFFAOYSA-N
rxn:4:194795:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6cccc(F)c6)C(=O)C45)cc3)c(F)ncc21,DFKAYHXLPDTQCQ-UHFFFAOYSA-N
rxn:4:199936:222423,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(OC)ccc21,RTWDRCJDDQHWPW-UHFFFAOYSA-N
rxn:4:200034:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(C(=O)c5ccc(OC)cc5)c(C)n(CCN5CCOCC5)c4c3)c3ccccc23)CC1,LEOONPDVZCOZHM-UHFFFAOYSA-N
rxn:4:200054:222389,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,DOJDFQOJQMIPJA-UHFFFAOYSA-N
rxn:4:201118:222423,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,VEJKURWPFJYAGG-UHFFFAOYSA-N
rxn:4:201147:223154,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NCC)c3)ccc21,COOZHCZPMMKDIU-UHFFFAOYSA-N
rxn:4:201174:223520,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(C(C)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,LDULCNXIPFCABM-UHFFFAOYSA-N
rxn:4:201187:223694,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)c(C)cc5F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,VAWFNCUOOPVPHT-UHFFFAOYSA-N
rxn:4:212684:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccc(F)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PGNVROMVHPZAKJ-UHFFFAOYSA-N
rxn:4:213067:222423,COc1c(-c2ccc(S(=O)(=O)n3nc(C)c(Sc4ccc([N+](=O)[O-])cc4)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JRRUKZXUMJJFID-UHFFFAOYSA-N
rxn:4:213450:226573,Cc1nc(OC(C)(C)C)ncc1-c1ccc2nc(C)c(C3=NN(C(=O)C(C)C)C(c4ccccc4F)C3)c(-c3ccccc3)c2c1,SFGVSGKPYVRAPB-UHFFFAOYSA-N
rxn:4:213451:222822,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)NC6CC6)c(C)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,KURVVHPSAFUPQG-UHFFFAOYSA-N
rxn:4:213451:223830,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C)c(S(=O)(=O)N6CCN(CC)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,PMHKFJAZQYNTJX-UHFFFAOYSA-N
rxn:4:214386:222524,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(F)c(F)cc6S(=O)(=O)N6CCC(O)CC6)cccc5c4C3)n(C)c2c1,QLKKPQZSICCURE-UHFFFAOYSA-N
rxn:4:214388:225888,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc5nc(C)n(C)c5c(F)c4F)c(OC)cc12)CC3,RKJJFOSPBVIKRY-UHFFFAOYSA-N
rxn:4:218758:222389,O=c1c2ccccc2nc(SCc2nc(-c3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)no2)n1Cc1ccccc1,KGQWVDHUFYBZKG-UHFFFAOYSA-N
rxn:4:221274:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1,VSXYGTOVYBEVPZ-UHFFFAOYSA-N
rxn:4:221539:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)CC1,YZCBBTWXPYNPOQ-UHFFFAOYSA-N
rxn:4:221539:223992,Cc1ccc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,IRDLZOMWMQKVIC-UHFFFAOYSA-N
rxn:4:221745:222423,COc1c(-c2ccc(S(=O)(=O)c3nnn4c3nc(N3CCCCCC3)c3sccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HCMBWGOREVALAC-UHFFFAOYSA-N
rxn:4:221781:222997,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)c(=O)n2C)c1C,UOBACYRWVWPPGZ-UHFFFAOYSA-N
rxn:4:221781:222998,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c1C,WZQXWKKIMUYBHY-UHFFFAOYSA-N
rxn:4:221781:223007,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)c1C,HDSJLODUGXBBMT-UHFFFAOYSA-N
rxn:4:221781:223141,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cncc(C5CCNCC5)c4)cc3)c(=O)n2C)c1C,OHHNHRHIHDOTEY-UHFFFAOYSA-N
rxn:4:221781:224662,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCN(C)CC4)cc3)c(=O)n2C)c1C,HCKAOOPAFQFQPL-UHFFFAOYSA-N
rxn:4:221782:222538,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,PLRGCUHVBXPJEK-UHFFFAOYSA-N
rxn:4:221786:225592,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)cc1C,PJLIAJRYZYYSIU-UHFFFAOYSA-N
rxn:4:221787:225594,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)c1,FUEYLKRAGGADSK-UHFFFAOYSA-N
rxn:4:221788:222612,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)c(=O)n2C)cc1,IRZYGMJZNARQDK-UHFFFAOYSA-N
rxn:4:221929:224307,Cc1cn2c3c(=O)n(Cc4ccc(-c5c(F)cc(O[Si](C)(C)C(C)(C)C)cc5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,ZGJUHQLVLOUFII-UHFFFAOYSA-N
rxn:4:222362:222491,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(NC(=O)OCc7ccccc7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,LMSCWEDIMAQJJZ-UHFFFAOYSA-N
rxn:4:222362:222854,COc1ccc(C2CCCNC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,YYWHTAFKWZCAJH-UHFFFAOYSA-N
rxn:4:222362:224443,Cc1cc(OCc2ccccc2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,IEKPERNCKBPADA-UHFFFAOYSA-N
rxn:4:222362:227588,COc1cc(F)cc(OC)c1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LGJOCMSALYFTNZ-UHFFFAOYSA-N
rxn:4:222363:223592,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LOCWLDJPOGPERV-UHFFFAOYSA-N
rxn:4:222363:227617,Cc1cn(-c2csc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c2)cn1,XAJONHOTIPDNSM-UHFFFAOYSA-N
rxn:4:199927:222389,COCCn1c(=NC(=O)Cc2ccccc2)sc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,MJBXSNPGJNENNP-UHFFFAOYSA-N
rxn:4:204942:222423,COc1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,WZIPZCZXEIMGNR-UHFFFAOYSA-N
rxn:4:207889:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccc(F)c2)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MGWOGKBOIHWJNS-UHFFFAOYSA-N
rxn:4:212839:222580,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(S(=O)(=O)NC5CC5)c5ccccc45)ccn23)CC1,PXJFXPUWHAWYJL-UHFFFAOYSA-N
rxn:4:212846:223570,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)n(Cc4ccco4)c(=O)c23)C1,QKNCWGHJUYURRT-UHFFFAOYSA-N
rxn:4:212846:223818,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5c(F)cc(F)c6c5ccn6C(=O)OC(C)(C)C)cc4)n(Cc4ccco4)c(=O)c23)C1,QMKQBBXGBNMDPX-UHFFFAOYSA-N
rxn:4:213451:223141,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cncc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JRBUDLVAHVKEKL-UHFFFAOYSA-N
rxn:4:213481:222439,COC12CC(COC(=O)c3cncc(-c4ccc(S(=O)(=O)NC5CCCCC5)cc4C(F)(F)F)c3)CN(C)C1Cc1cn(C)c3cccc2c13,ZKEIRDHVPJOAIS-UHFFFAOYSA-N
rxn:4:214187:222423,COc1cc2ncnc(N(C)c3cccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3)c2cc1OC,AVLKWYIHQYWYQB-UHFFFAOYSA-N
rxn:4:214238:223570,CCOc1c(C)cnc2c1c(=O)n(Cc1ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1)c(=O)n2C,VWCKZPMFFWMGEG-UHFFFAOYSA-N
rxn:4:214338:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2cccc3c2n(C)c(=O)n3C2CCC(=O)N(Cc3ccc(OC)cc3)C2=O)CC1,CLMSHDYALSFBFV-UHFFFAOYSA-N
rxn:4:214357:222423,COc1c(-c2ccc(C3CC(c4c(C)nc5ccc(Cl)cc5c4-c4ccccc4)=NN3C(C)=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HNRADKIHYPDTIH-UHFFFAOYSA-N
rxn:4:214388:222729,CCCc1cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)cc(C2CCCNC2)n1,FVXASKMUOMOCMB-UHFFFAOYSA-N
rxn:4:214388:223768,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cn(C(=O)OC(C)(C)C)c5cc(C#N)ccc45)c(OC)cc12)CC3,NDWJPRZNVSSASD-UHFFFAOYSA-N
rxn:4:214388:225201,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OC5CCCC5)c(F)c4F)c(OC)cc12)CC3,KNZMXCBZJKPYMF-UHFFFAOYSA-N
rxn:4:214388:226459,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C#N)cc5ncn(C)c45)c(OC)cc12)CC3,DPBXNBCUPKWOOP-UHFFFAOYSA-N
rxn:4:217910:222423,COc1c(-c2ccc3c(c2)C2C(C3)OCc3nn(-c4c(C)cc(C)cc4C)c[n+]32)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HTSHYVMLKQKKKZ-UHFFFAOYSA-N
rxn:4:218747:223839,CCCCc1nc(SCc2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OC)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,SFSXQHIAMFRUKI-UHFFFAOYSA-N
rxn:4:218994:222423,COc1c(-c2cnc(OCC3CCCN(Cc4sc(C)nc4C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZVVKYUGLZICHGN-UHFFFAOYSA-N
rxn:4:219189:222612,COc1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,PTUGBKDNOHFRMP-UHFFFAOYSA-N
rxn:4:221258:223827,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5cc(C(F)(F)F)ccc5N5CCN(CC)CC5)cc4)c(C)cn23)n(C)c1=O,MIZWUFHEIFZJEK-UHFFFAOYSA-N
rxn:4:221271:224413,COc1cc(C(F)(F)F)cc(C(F)(F)F)c1-c1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1,BJNACEFPKZTONK-UHFFFAOYSA-N
rxn:4:221272:223827,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(CC)CC3)cc2)n(C)c1=O,AOEALHAWMSUQPQ-UHFFFAOYSA-N
rxn:4:221275:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)c2)CC1,NVGSVLYJMYWAQA-UHFFFAOYSA-N
rxn:4:221277:224290,Cn1c(=O)n(Cc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,ZTZNXXVQJWPORD-UHFFFAOYSA-N
rxn:4:221450:222423,COc1c(-c2ccc(-n3nnc(C(=O)N4CCN(c5ccccc5C)CC4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SZUBJLYGIHMQGS-UHFFFAOYSA-N
rxn:4:221574:225592,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCCC4)cc3)c(=O)n2C)cc1,WMKBRVNBUKDPKX-UHFFFAOYSA-N
rxn:4:221761:222465,Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,LRFXVQXZXSISHD-UHFFFAOYSA-N
rxn:4:221766:223841,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)cc1,KWCFLFGUTBUOSW-UHFFFAOYSA-N
rxn:4:221781:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3C)n(C)c2=O)cc1,HJDUKLUGQLPEDO-UHFFFAOYSA-N
rxn:4:221787:224950,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cc(C)cc(C)c4)n(C)c3=O)cc2)c(CN2CCCC2)c1,ULIMORPZBJATDC-UHFFFAOYSA-N
rxn:4:221928:222703,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(C(F)(F)F)c(C5CCNCC5)c4)ccc3OC)nnc12,IDOZJVKDBRBONP-UHFFFAOYSA-N
rxn:4:221929:224150,Cc1c(F)cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc1OCc1ccccc1,WQXWYVFODTUSRD-UHFFFAOYSA-N
rxn:4:221990:224391,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,MHJUYYIPXLMQDM-UHFFFAOYSA-N
rxn:4:221994:223524,COc1ccc2c(c1)c(-c1ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)cn45)n(C)c3=O)cc1)cn2S(=O)(=O)c1ccc(C)cc1,WHFKOLBIHWQTNO-UHFFFAOYSA-N
rxn:4:222362:223950,CN(C)c1nc(OCc2ccccc2)ncc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ZOJSHOQFQQYNBA-UHFFFAOYSA-N
rxn:4:222363:224188,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)N(C(C)C)C(C)C)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OPAOVNBNPWWFJQ-UHFFFAOYSA-N
rxn:4:222363:224795,CCN(CC)S(=O)(=O)c1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)ccc1F,LZRMKBDSXQRPRB-UHFFFAOYSA-N
rxn:4:222363:228204,Cc1cc(C#N)c(F)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,KQDUFKZPZOGSPD-UHFFFAOYSA-N
rxn:4:222363:228388,Cc1cc(CN2CCN(c3c(-c4cc(C(F)F)ncc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RXTSRXJTJUQODS-UHFFFAOYSA-N
rxn:4:186785:222423,COc1c(-c2ccc(OCC3CCOCC3)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MFJAGQAPAPPXAX-UHFFFAOYSA-N
rxn:4:199993:222423,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)ccc1OC,RRFUAFSTMBAMHZ-UHFFFAOYSA-N
rxn:4:200022:222423,COc1c(-c2ccc3c(c2)N(CC2CCN(C(=O)OCc4ccccc4)CC2)C(=O)CO3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KYTFAMJHYLCHIH-UHFFFAOYSA-N
rxn:4:201031:223523,CCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3ccc(S(=O)(=O)N4CCN(CC)CC4)c4ccccc34)ccc21,WLLGZQOGKXLEGM-UHFFFAOYSA-N
rxn:4:201188:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C4c5c(oc6cc(OC)ccc6c5=O)C(=O)N4CCN4CCOCC4)c3)c3ccccc23)CC1,JDYSFSSIDNKNHV-UHFFFAOYSA-N
rxn:4:202798:222423,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1,QQIYUTBOTCRXDP-UHFFFAOYSA-N
rxn:4:204900:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O,KTHBVCLICMTWEZ-UHFFFAOYSA-N
rxn:4:212614:222423,COC(=O)c1cn(Cc2cccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c2)nc1S(=O)(=O)N1CCCC1,NCRHJFIIFLRPBZ-UHFFFAOYSA-N
rxn:4:212744:223760,COc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c(OC)cc1OCc1ccccc1,NNOSINYNHBCLJH-UHFFFAOYSA-N
rxn:4:212785:222423,COCCn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(S(N)(=O)=O)ccc21,FCPQZWFLTATXMD-UHFFFAOYSA-N
rxn:4:212820:222423,COCCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,NZKYTYAISVLDGU-UHFFFAOYSA-N
rxn:4:212846:222423,COc1c(-c2ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XSGDTSGRTHCCJJ-UHFFFAOYSA-N
rxn:4:213115:222423,COc1c(-c2cnc(OCC3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ITWLKBNEPWJBLV-UHFFFAOYSA-N
rxn:4:213230:222423,COc1c(-c2cc(F)c([N+](=O)[O-])c(N3CCN(C(=O)OC(C)(C)C)CC3C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GAJDBESHBKBYCV-UHFFFAOYSA-N
rxn:4:213467:222537,COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4cccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)c4)c3c2=O)c1,ZEYNBYVIFUPOSX-UHFFFAOYSA-N
rxn:4:213475:223841,COc1cc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,VEDHEJNGRGSYMT-CWWZAPHPSA-N
rxn:4:213480:223845,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,DVSUEACCBHSZKW-FGGQGBITSA-N
rxn:4:214086:222423,COc1c(-c2ccc(CN3CCN(C(C)C)CC3)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NMVOWYHWRVDZAB-UHFFFAOYSA-N
rxn:4:214388:222824,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)c(OC)cc12)CC3,HVQNVZWDWWJAOX-UHFFFAOYSA-N
rxn:4:214388:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c3ccccc23)CC1,RTUPRJOKKHYWBU-UHFFFAOYSA-N
rxn:4:214388:223890,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc5ncn(Cc6ccccc6)c5cc4F)c(OC)cc12)CC3,BJCQNVZJNJUPNV-UHFFFAOYSA-N
rxn:4:218638:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4nc(-c5cccc(Cl)c5)oc4C)c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FFTUWBNERMQHIP-UHFFFAOYSA-N
rxn:4:219529:222423,COc1nc(N2CCCC(C(=O)N3CCOCC3)C2)ncc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,AQGWQXMUYOJBKC-UHFFFAOYSA-N
rxn:4:221121:223578,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)ccc43)CC2)CC1,YNAKOJNLYQMYDZ-UHFFFAOYSA-N
rxn:4:221277:222537,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,YPZXRAJVHIIMKK-UHFFFAOYSA-N
rxn:4:221551:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CC(=O)OC)c(=O)n(C)c5nc34)cc2)CC1,XIMUDKDZEGVQSI-UHFFFAOYSA-N
rxn:4:221570:222611,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4OC)cc3)c(=O)n2C)c1,UDRFCYVJLORKRG-UHFFFAOYSA-N
rxn:4:221731:222423,COc1c(-c2cnc(N3CCC(Cn4nc5c(cc4=O)CCCC5)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NIGRKUBERFEIGU-UHFFFAOYSA-N
rxn:4:221766:222702,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1,YTEPDRGNUOYPPB-UHFFFAOYSA-N
rxn:4:221781:222996,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)c1C,XNFYMDXYPFBYPE-UHFFFAOYSA-N
rxn:4:221782:222822,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)c(=O)n2C)c(C)c1,LGVAPOFUYKXNLC-UHFFFAOYSA-N
rxn:4:221928:222702,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)ccc3OC)nnc12,LZDGBQBGOLXQKX-UHFFFAOYSA-N
rxn:4:221994:223643,Cc1ccc(S(=O)(=O)n2c(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)cc3ccccc32)cc1,DURWBTGIEFKJOC-UHFFFAOYSA-N
rxn:4:222137:224217,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(OCc3ccccc3)c(F)c2F)cc1,SJEUPWVFTWRUJF-UHFFFAOYSA-N
rxn:4:222144:225219,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cnc(N3CCCCC3C)cc2F)cc1,VIIJWIRQXIPPOO-UHFFFAOYSA-N
rxn:4:222190:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)nc2nc(N(C)C3CN(c4cnccn4)C3)ccc2c1C,HNZUIBYMFMSEHY-UHFFFAOYSA-N
rxn:4:222201:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2nnc3n(Cc4ccc(F)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,VMLXNSJBWQIAQM-UHFFFAOYSA-N
rxn:4:222362:222484,Cc1ccc(NC(=O)c2cc(F)cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c(C)c1,FSLWPNPJXVWOJN-UHFFFAOYSA-N
rxn:4:222362:224090,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCc6ccccc6C#N)cc6[nH]ncc56)nn4)cn3c2)CC1,SJJRMZGCDYKAJO-UHFFFAOYSA-N
rxn:4:222363:223367,Cc1cc(CN2CCN(c3c(-c4cnc5[nH]ccc5c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BLLZXZIHOXAPCX-UHFFFAOYSA-N
rxn:4:222363:223631,Cc1cc(CN2CCN(c3c(-c4ccc5c(Cl)c(OCc6ccccc6)ccc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NHPXUQKPMVQJIV-UHFFFAOYSA-N
rxn:4:222363:226007,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(OCC(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VNVXESSSWYJADM-UHFFFAOYSA-N
rxn:4:173706:222630,CCCC(=O)c1cc2c(cc(-c3cc(C4CCC4)nc(C4CCNCC4)c3)c3oc(C)c(C(=O)OCC)c32)oc1=O,OGUUNBYXUUJNCL-UHFFFAOYSA-N
rxn:4:185270:222423,COc1c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QNZKWEKXSVYMCY-UHFFFAOYSA-N
rxn:4:199870:222423,CCCOc1cc(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,XSVFFHVBHOHHND-UHFFFAOYSA-N
rxn:4:200892:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2C)CC1,ISLFLLPJDZJUEG-UHFFFAOYSA-N
rxn:4:201186:223812,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(F)cc(CN6CCC7(CC6)OCCO7)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,HWDUYFBZGGXEBF-UHFFFAOYSA-N
rxn:4:207834:222423,COc1c(-c2cc(C)c(N3C(=NC(C)=O)SC4CS(=O)(=O)CC43)c(C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,UTSSCEDDOORXHT-UHFFFAOYSA-N
rxn:4:207948:222423,COc1c(-c2ccc(C3c4c(oc5ccc(C)cc5c4=O)C(=O)N3c3cccc(C)n3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZYCAHOYGJMKOJM-UHFFFAOYSA-N
rxn:4:212697:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)Cc4cccc(C)c4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,URULRGYQVCVYPT-UHFFFAOYSA-N
rxn:4:212726:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccc(C)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FGFVPMSXYJTPEU-UHFFFAOYSA-N
rxn:4:212751:224579,Cc1cn(-c2ccc(C3CC3)c(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c2)cn1,XXMSEXVXTNIFEW-UHFFFAOYSA-N
rxn:4:212839:223523,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(S(=O)(=O)N5CCN(CC)CC5)c5ccccc45)ccn23)CC1,GKLGACFDKKSLSX-UHFFFAOYSA-N
rxn:4:212839:224290,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(Cl)cc4OCCN4CCOCC4)ccn23)CC1,TZRJSQPTNBCRNU-UHFFFAOYSA-N
rxn:4:212851:222524,CCOc1cc2nc3c4cc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)ccc4n(CC(C)C)c3nc2cc1OCC,KACKBBNCQPRCDD-UHFFFAOYSA-N
rxn:4:213034:222423,COc1c(-c2ccc(C(=O)n3nc(C)c(Sc4ccccc4[N+](=O)[O-])c3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DCLZMLOISJTILQ-UHFFFAOYSA-N
rxn:4:213445:223694,CCN1CCN(S(=O)(=O)c2cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c(F)cc2C)CC1,AGAIYJRMFVLAFY-UHFFFAOYSA-N
rxn:4:213445:223992,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6ccc(C)c(S(=O)(=O)N7CCN(C)CC7)c6)c(OC)ccc5c4)nc23)cc1OC,JGRYYJRMWLJBPI-UHFFFAOYSA-N
rxn:4:213451:223566,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-n6c(C)ccc6C)nc(-n6c(C)ccc6C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FUYVSHRHTYFSLU-UHFFFAOYSA-N
rxn:4:213474:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc4c(c3)C(F)(F)c3cc(-c5cnc([C@@H]6CC7(CC7)CN6C(=O)OC(C)(C)C)[nH]5)ccc3-4)cc12,AWOBYWURNAJCHL-DHUJRADRSA-N
rxn:4:213481:222443,COc1ccc(CNC(=O)c2cc(F)cc(-c3cncc(C(=O)OCC4CN(C)C5Cc6cn(C)c7cccc(c67)C5(OC)C4)c3)c2)cc1,RRBIWIYAPMZJFR-UHFFFAOYSA-N
rxn:4:214388:223533,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4F)c(OC)cc12)CC3,ZUXAZIMPUZKQCP-UHFFFAOYSA-N
rxn:4:215310:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4C5=C(OC(C)=O)c6ccccc6C5=Nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)cc2C)CC1,NUSOZLREGMATAR-UHFFFAOYSA-N
rxn:4:221201:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1,RHRQEOKMAUMTPX-JOCHJYFZSA-N
rxn:4:221252:222515,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1,VXAXAUHZCDGBOF-UHFFFAOYSA-N
rxn:4:221272:224290,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)n(C)c1=O,ZGWZPJPSOZDIEQ-UHFFFAOYSA-N
rxn:4:221275:225364,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N(C)C,QAQOQHQHQQGJFX-UHFFFAOYSA-N
rxn:4:221565:222741,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C6CC6)nc(C6CCCNC6)c5)cc4)c(=O)n(C)c3nc2n1Cc1ccco1,NLPHAMDJKBJKRG-UHFFFAOYSA-N
rxn:4:221574:224398,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)cc1,HYPRUXQESMXHAO-UHFFFAOYSA-N
rxn:4:221766:223570,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)c(=O)n2C)cc1,FUMDLMGWZIJMSE-UHFFFAOYSA-N
rxn:4:221778:224398,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,ASXYPCKRTOKBTO-UHFFFAOYSA-N
rxn:4:221782:222850,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)c(C)c1,UXGVQDUVSOMPAL-UHFFFAOYSA-N
rxn:4:221782:223003,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)c(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,STPISZNMAOFCQP-UHFFFAOYSA-N
rxn:4:221782:223007,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,UCAABWLNPGTMOK-UHFFFAOYSA-N
rxn:4:221983:222462,Cc1cc(C)n2c(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1,PZSBWCAHYDAGFV-UHFFFAOYSA-N
rxn:4:221987:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(OC)c(-c3nnc4n(CCOC)c5c(=O)n(C)c(=O)n(C)c5n34)c2)CC1,UPPVMWZSWYGDQM-UHFFFAOYSA-N
rxn:4:221995:223597,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(OCCN6CCC7(CC6)OCCO7)c(Cl)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,QLRDBHNGYKNEFR-UHFFFAOYSA-N
rxn:4:222362:222710,COc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,ZEWBAPBOPUJWMZ-UHFFFAOYSA-N
rxn:4:222362:222714,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(NC(=O)OC(C)(C)C)cc(F)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,JOURQUNCPSJXDP-UHFFFAOYSA-N
rxn:4:222362:223179,CONC(=O)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1F,FXSAJLJZHRTRTG-UHFFFAOYSA-N
rxn:4:222362:224244,CC1CCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2Cl)CC1,UZUTZAGWACRDKI-UHFFFAOYSA-N
rxn:4:222363:223967,Cc1cc(CN2CCN(c3c(-c4ccc(Oc5ccccc5)cc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LGWLWKZWVKRTIO-UHFFFAOYSA-N
rxn:4:188026:222466,CC(C)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2CC2CCCO2)cc1,RKPGGCIYXGZODW-UHFFFAOYSA-N
rxn:4:199596:222423,COc1c(-c2ccc(OC(F)(F)F)cc2OCCN2CCN(C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BQDCKWGVTWJKNS-UHFFFAOYSA-N
rxn:4:199633:222423,COc1ccc(-c2noc(CS(=O)(=O)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)n2)cc1OC,XZWPXEBATQULLZ-UHFFFAOYSA-N
rxn:4:199983:222423,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc32)SC1=S,BPMLOTSZXSBMLJ-UHFFFAOYSA-N
rxn:4:200033:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cnc4cc(CN5CCC(CO[Si](C)(C)C(C)(C)C)C5)oc4c3)c(F)ncc21,GAUBTAYBQSMAIL-UHFFFAOYSA-N
rxn:4:201184:222426,CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ccc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccccc3)N(CCCN3CCOCC3)C5=O)cc12,IXNPDVWSWNXMLA-UHFFFAOYSA-N
rxn:4:202800:222466,CC#Cc1cc2c(c(F)c1-c1cc(C3CCCCC3)nc(C3CCNCC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,UGQBAWXPIQONFC-GDLZYMKVSA-N
rxn:4:212839:224502,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(OCC5CCCCN5C)c4)ccn23)CC1,ZYUZWGOUIBROTG-UHFFFAOYSA-N
rxn:4:213377:222423,CCCN1C(=O)C(=Cc2c(Oc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)nc3ccccn3c2=O)SC1=S,WWJYFNICBIAQTH-UHFFFAOYSA-N
rxn:4:213405:222855,COc1cc(-c2ccc(-n3c(C)cc(C(=O)CSc4ncnc5sc(C)c(C)c45)c3C)cc2)cc(C2CCCNC2)c1,GXMSKDZJMVJIAQ-UHFFFAOYSA-N
rxn:4:213451:224677,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(Cl)c(C(=O)N6CCCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,CCHFLIIHLHEWLD-UHFFFAOYSA-N
rxn:4:219791:222423,COc1c(-c2ccc(-n3c(SCc4nc5ccccc5[nH]4)nc4sc5c(c4c3=O)CCCC5)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DFWIFFVSKNTRQZ-UHFFFAOYSA-N
rxn:4:221274:223541,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC3(CC2)OCCO3)cc1,VECBTXXDTZAMQJ-UHFFFAOYSA-N
rxn:4:221560:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5Cc4ccco4)n(C)c3=O)cc2)CC1,JCRCFIWWEHAJTK-UHFFFAOYSA-N
rxn:4:221574:222822,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)c(=O)n2C)cc1,PLYAOIXBWPEKRI-UHFFFAOYSA-N
rxn:4:221574:222824,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)c(=O)n2C)cc1,ZTVHJDAJQOLINK-UHFFFAOYSA-N
rxn:4:221574:222847,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,PMDRSVXOBPXCRJ-UHFFFAOYSA-N
rxn:4:221770:223841,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)c1,FVIZHKLZAFSDSE-UHFFFAOYSA-N
rxn:4:221780:222537,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,NQBMLPXLQCRQSY-UHFFFAOYSA-N
rxn:4:221782:223001,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)c(C)c1,YUPQUSMKUAIZLU-UHFFFAOYSA-N
rxn:4:221782:226131,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4CN4CCCC4)cc3)c(=O)n2C)c(C)c1,WPVHCECQCDALQY-UHFFFAOYSA-N
rxn:4:221783:222462,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3)c(=O)n2C)c1,ICLSLSDWBBYVQB-UHFFFAOYSA-N
rxn:4:221783:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3cccc(C)c3)n(C)c2=O)cc1,HTTWLYRYPQKIII-UHFFFAOYSA-N
rxn:4:221785:223008,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)n(C)c2=O)c1,WFUFPOUYFIQZQW-UHFFFAOYSA-N
rxn:4:221788:222986,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,DGEZLWSILSAQFB-UHFFFAOYSA-N
rxn:4:221788:223001,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)cc1,VUVOTPNDAVJXAI-UHFFFAOYSA-N
rxn:4:221790:223001,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2)n(C)c1=O,OGKRWSHOVALJEL-UHFFFAOYSA-N
rxn:4:221790:223008,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCNCC4)ccc3F)cc2)n(C)c1=O,QGOLBWZIAFKMMB-UHFFFAOYSA-N
rxn:4:221791:222996,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1,MKIRHZMNTYJGPW-UHFFFAOYSA-N
rxn:4:221791:222997,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2C2CCCNC2)cc1,HSZUGWWHPUXLML-UHFFFAOYSA-N
rxn:4:221794:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4nc(SCc5cc(=O)n6cc(Cl)ccc6n5)n5c6ccccc6nc5c4c3)c3ccccc23)CC1,CSCGHJYKTGBTPG-UHFFFAOYSA-N
rxn:4:221986:223601,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cnc(OCc4ccc(OC)cc4)c(C(F)(F)F)c3)cc2)CC1,QQBKZMOLXHODNV-UHFFFAOYSA-N
rxn:4:222352:222621,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(CC(C)C)nc(C7CCCNC7)c6)cc5)c(C)nn43)c2=O)[nH]1,ZATIRMDIAPAFNT-UHFFFAOYSA-N
rxn:4:222362:223668,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCc7ccccc7)cc6OC(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,MWGXEVXIZISPLF-UHFFFAOYSA-N
rxn:4:222362:224117,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)cc6OCCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,GLAJIRZGWVAWMI-UHFFFAOYSA-N
rxn:4:222363:222855,COc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCCNC2)c1,ITFMXEIOKQSMSL-UHFFFAOYSA-N
rxn:4:222363:223081,CNc1nnc(-c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2)s1,RPDYAXQYEOPDLD-UHFFFAOYSA-N
rxn:4:222363:223576,Cc1cc(CN2CCN(c3c(-c4cccc(OC5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IQSZRFXFPSILMY-UHFFFAOYSA-N
rxn:4:222363:223644,CCOC(=O)C1CCCN(C(=O)c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2)C1,JBSXGLOSEGVHGN-UHFFFAOYSA-N
rxn:4:222363:226029,CCOc1c(F)c(F)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)c1F,XGEZNOSMTILZFZ-UHFFFAOYSA-N
rxn:4:194833:222423,COc1c(-c2ccc(C(=O)N3c4c(C)cccc4-c4c(ssc4=S)C3(C)C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OMTOACTWMULLCQ-UHFFFAOYSA-N
rxn:4:199989:222423,CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c(OC)cc12,GTKNMFMFPRTCGR-UHFFFAOYSA-N
rxn:4:202297:222423,COc1cc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,KORZYAQIXCJZCU-UHFFFAOYSA-N
rxn:4:202708:222423,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,UZOFHWFTCXOCJC-UHFFFAOYSA-N
rxn:4:203358:222423,COc1c(-c2ccc(-c3nc(C(F)(F)F)c[nH]3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BQKUILCCPZEFJA-UHFFFAOYSA-N
rxn:4:207850:222423,COc1c(-c2ccc(N3C(=O)N(c4ccc(C)cc4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SXTIBPPMJBUFFG-UHFFFAOYSA-N
rxn:4:212751:222700,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)c2)CCN1C(=O)OC(C)(C)C,GEPLDJNMEMMEPO-UHFFFAOYSA-N
rxn:4:212797:222423,COc1c(-c2ccc3c(c2)sc(=NC(=O)CSCC(=O)N2CCc4ccccc42)n3C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GVXDDQJNSWFUEL-UHFFFAOYSA-N
rxn:4:213450:224398,Cc1cc(F)c(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)cc1S(=O)(=O)N1CCCC1,WAYUSVAQAOILMM-UHFFFAOYSA-N
rxn:4:213451:224407,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N6CCC(F)(F)C6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,CERIKNOSMLZSDS-UHFFFAOYSA-N
rxn:4:213451:224577,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C6CC6)cc(-n6cnc(C)c6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RSQFUOPMGKQECT-UHFFFAOYSA-N
rxn:4:219189:222843,COc1ccc(-c2ccc(C)cc2C(=O)NC(C)(C)C)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,BEHZSUBXPMXKFY-UHFFFAOYSA-N
rxn:4:220239:222524,CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)C2=O)COc2ccccc21,HXPLGYLUTYLXHD-NDEPHWFRSA-N
rxn:4:221275:224405,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCCC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,SCCKYVFRBLKUSM-UHFFFAOYSA-N
rxn:4:221277:223699,Cn1c(=O)n(Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3C(F)(F)F)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,RBFFIIFCUGBFEI-UHFFFAOYSA-N
rxn:4:221538:222741,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1,STJRGQUBIDLWAX-UHFFFAOYSA-N
rxn:4:221574:222702,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1,DOVIJYVLVWPSAZ-UHFFFAOYSA-N
rxn:4:221760:223841,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4F)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,MXOGFAZMQVHVGL-UHFFFAOYSA-N
rxn:4:221766:223699,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cc3)c(=O)n2C)cc1,FJXWSMQZHREHDB-UHFFFAOYSA-N
rxn:4:221777:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1,QVKSUEQBLHDCGQ-UHFFFAOYSA-N
rxn:4:221782:222702,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)c(C)c1,FKEHKGKDRXXFGY-UHFFFAOYSA-N
rxn:4:221782:222890,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCCNC2)n1,UPLOYDYPAPHMLP-UHFFFAOYSA-N
rxn:4:221782:222996,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)c(C)c1,QAMVXXBWGKOUSM-UHFFFAOYSA-N
rxn:4:221783:223008,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)c1,VORJBXJWKIRQQU-UHFFFAOYSA-N
rxn:4:221784:222996,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)n(C)c2=O)c1,TYIPOBVJTJWLPP-UHFFFAOYSA-N
rxn:4:221786:222996,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)cc1C,KGWFDBYWTFXJSY-UHFFFAOYSA-N
rxn:4:221787:222996,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)c1,ISXSFKHSXZKZNG-UHFFFAOYSA-N
rxn:4:221790:222996,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)cc3C3CCCNC3)cc2)n(C)c1=O,WQMULSQUSQKQES-UHFFFAOYSA-N
rxn:4:221790:222997,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)n(C)c1=O,GRUBQNNVJHPKQB-UHFFFAOYSA-N
rxn:4:221986:222741,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc2)CC1,YWSOSPNNCDZKTL-UHFFFAOYSA-N
rxn:4:221986:223599,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4cc(C(F)(F)F)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,JNAAKJCKNVRMCS-UHFFFAOYSA-N
rxn:4:221995:223808,COc1ccc(COc2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)c(F)c2F)cc1,OSWKODRMHONXIS-UHFFFAOYSA-N
rxn:4:222137:223676,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)cc(C(F)(F)F)c2F)cc1,QENNUOXBZBUTCL-UHFFFAOYSA-N
rxn:4:222232:222423,COc1c(-c2ccc(CN3N=C(C)Cn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QJDNMEPKDMZJBM-UHFFFAOYSA-N
rxn:4:222250:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)cn34)n(C)c2=O)cc1,AYDFNZCWIOQHKY-UHFFFAOYSA-N
rxn:4:222362:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MGFHWXUPDLAWIZ-UHFFFAOYSA-N
rxn:4:222363:224233,Cc1cc(CN2CCN(c3c(-c4cc(F)ccc4OCc4ccccc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VMHQVTAXPRZRIR-UHFFFAOYSA-N
rxn:4:222363:224969,Cc1cc(CN2CCN(c3c(-c4ccc(C(=O)OC(C)(C)C)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CRSOAXUPBFOKHB-UHFFFAOYSA-N
rxn:4:222363:225305,Cc1cc(CN2CCN(c3c(-c4cnc(C5CCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VZTBNRVIUAVLAJ-UHFFFAOYSA-N
rxn:4:183196:222423,COc1c(-c2ccc3c(c2)OCC(F)(F)C(F)(F)CO3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XQFQGJASMOEQMI-UHFFFAOYSA-N
rxn:4:188016:223570,COc1cccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2Cc2ccco2)c1,BEMLHWGDMKMXBE-UHFFFAOYSA-N
rxn:4:199587:222423,COc1c(-c2ccc(Cl)c(C(=O)Oc3coc(CSc4nccc(C)n4)cc3=O)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PMYYAJUYDQDARU-UHFFFAOYSA-N
rxn:4:200007:222465,CCCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)ccc21,LZDHQTKLVKNLGA-UHFFFAOYSA-N
rxn:4:204736:222423,COc1c(-c2nc3c(cc2Cc2ccc(F)cc2)N(C(C)=O)CC3(C)C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SJWPBJJETDEKNF-UHFFFAOYSA-N
rxn:4:207896:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FNDRKPKHAWUDLQ-UHFFFAOYSA-N
rxn:4:212714:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3-c3ccccc3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KODHOHHINNUWFR-UHFFFAOYSA-N
rxn:4:212767:223841,COCCn1c(=NC(=O)c2ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)s2)sc2cc(S(N)(=O)=O)ccc21,KFSMQELPTHQFHD-UHFFFAOYSA-N
rxn:4:212839:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccn3c(C(C)N4CCN(CC)CC4)c(C)c(C(=O)OC(C)C)cc23)CC1,CWASTTGVILTHJU-UHFFFAOYSA-N
rxn:4:212846:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCN(C(C)=O)C4)cc1,LDOBBGUAKXEZKE-UHFFFAOYSA-N
rxn:4:213450:224667,Cc1nc2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,JLWSHOXAENLWCP-UHFFFAOYSA-N
rxn:4:213451:222699,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C6CCCNC6)c(C(F)(F)F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GERBCIYJDBYLKB-UHFFFAOYSA-N
rxn:4:213451:224770,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C)cc(S(=O)(=O)N6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,PEFPECLHQVDCSP-UHFFFAOYSA-N
rxn:4:214386:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc4c5c([nH]c34)CCN(C(=O)c3cc4c(OC)cc(OC)cc4n3C)C5)c(F)cc2C)CC1,FJSQZLCMKUZCFN-UHFFFAOYSA-N
rxn:4:214388:225766,CCCOc1c(F)cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(C)c1F,MTVGKLRQLIKVIX-UHFFFAOYSA-N
rxn:4:218778:224398,Cc1cc(F)c(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)cc1S(=O)(=O)N1CCCC1,AHCDIVWASPLESH-UHFFFAOYSA-N
rxn:4:218785:222488,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(NC(=O)OCc4ccccc4)cnc3C)cc1-2,VFASKNDODCJZLS-UHFFFAOYSA-N
rxn:4:219067:222423,COc1c(-c2cccc(N3CC(C(=O)N4CCC(Cn5ccnc5)CC4)CC3=O)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HJROMCDDLUNHAG-UHFFFAOYSA-N
rxn:4:219189:222780,COc1ccc(-c2cc(F)cc(C(=O)NCCN(C)C)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,BBIMJKBXKWCFOO-UHFFFAOYSA-N
rxn:4:220556:223570,Cc1nn2c(ncc3c(=O)n(-c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)ccc32)c1-c1ccc(F)cc1,ZCPIXTKZFYWOGC-UHFFFAOYSA-N
rxn:4:221116:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,MNKSVGPPZLMANK-UHFFFAOYSA-N
rxn:4:221201:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1,BYFSTAYXPFSDGH-HSZRJFAPSA-N
rxn:4:221277:222988,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(Oc5ccccc5)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,LMTYBOWXGXMLTJ-UHFFFAOYSA-N
rxn:4:221574:222996,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)c(=O)n2C)cc1,JUZRJYOSGVGMFW-UHFFFAOYSA-N
rxn:4:221574:223006,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,WXMUMGBSQQQSKX-UHFFFAOYSA-N
rxn:4:221781:223008,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)c1C,LYURSTZTQQDNSI-UHFFFAOYSA-N
rxn:4:221782:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)c(C(F)(F)F)c1,AFLJETFFZJRBJJ-UHFFFAOYSA-N
rxn:4:221782:223006,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,YPGNUZKJMDVHJY-UHFFFAOYSA-N
rxn:4:221782:223008,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)c(C)c1,VQRJVRUSNOYFSD-UHFFFAOYSA-N
rxn:4:221784:223007,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)n(C)c2=O)c1,IMYRXAGZFDZDAU-UHFFFAOYSA-N
rxn:4:221786:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)c(C)c4)n(C)c3=O)cc2)c(C(F)(F)F)c1,HPGDQZHVIWNHGN-UHFFFAOYSA-N
rxn:4:221786:222846,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)cc1C,KJXYWKXTKHBENL-UHFFFAOYSA-N
rxn:4:221786:223008,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)cc1C,JLGJFRWDPNOKTL-UHFFFAOYSA-N
rxn:4:222144:222524,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1,YTOSEAFTWYJJOD-UHFFFAOYSA-N
rxn:4:222144:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)c(F)cc1C,WFNNSQXJKQVRGL-UHFFFAOYSA-N
rxn:4:222362:224076,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(ccn7[Si](C)(C)C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,RDHXOPAUUCUXHZ-UHFFFAOYSA-N
rxn:4:222363:224600,Cc1ccc(-c2cc(F)c(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2F)cc1,RBJQGGFWMLAXFX-UHFFFAOYSA-N
rxn:4:222363:225680,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(-c5ccccn5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SSPDLBAIIXPKTO-UHFFFAOYSA-N
rxn:4:222363:227548,CCOc1ccc(F)c(F)c1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,WRPXSGDQYMITBU-UHFFFAOYSA-N
rxn:4:222363:227581,CCOc1c(F)ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1F,VVTOHEQCJJJHOB-UHFFFAOYSA-N
rxn:4:200023:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(CN4CCc5c(OCC(=O)N6CCOCC6)cccc5C4=O)cc3)c(F)ncc21,ZADGRPSCBDWFMB-UHFFFAOYSA-N
rxn:4:200032:222423,CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,QDGZQWBSYOSAAC-UHFFFAOYSA-N
rxn:4:202260:222423,COc1c(-c2ccc(C3=NN(S(=O)(=O)c4ccccc4)C(c4ccc(F)cc4)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DKMJMOSAAJIBTA-UHFFFAOYSA-N
rxn:4:202321:222423,COc1c(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JRPNNYNDEAATBJ-UHFFFAOYSA-N
rxn:4:213451:223533,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,XREDFHCAMNFQEC-UHFFFAOYSA-N
rxn:4:213451:224316,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(F)cc(C(=O)N6CCN(C)CC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RLTKGWFRDZNISI-UHFFFAOYSA-N
rxn:4:213473:222423,COc1c(-c2ccc(CSc3nc4sc5c(c4c(=O)n3-c3ccccc3C)CCN(C(C)=O)C5)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VTDOMMFPUGYFKH-UHFFFAOYSA-N
rxn:4:213481:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cncc(C(=O)OCC4CN(C)C5Cc6cn(C)c7cccc(c67)C5(OC)C4)c3)c2)CC1,HLJPYCSHLXSAHY-UHFFFAOYSA-N
rxn:4:214859:222423,COc1c(-c2ccc(S(=O)(=O)N3CCCC(c4ccn(C)n4)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GGGQSMXCLLRRMH-UHFFFAOYSA-N
rxn:4:215294:222389,CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c32)cc1,CIXWZNLZCDMFON-UHFFFAOYSA-N
rxn:4:218774:224668,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cc(F)cc(N7CCN(CC)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,JJBNCJUFOJGBBY-UHFFFAOYSA-N
rxn:4:221149:222423,COc1c(-c2cnc(OCC3CCCN(c4ccc(C#N)cn4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RAXOJYFELAGWIU-UHFFFAOYSA-N
rxn:4:221201:222872,COc1cc(C(=O)NC2CC2)ccc1-c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1,SAVTXDMLPQAYHA-HXUWFJFHSA-N
rxn:4:221538:223841,Cc1cc(F)c(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,CWZJLHDOIIBHCJ-UHFFFAOYSA-N
rxn:4:221571:224405,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCCC2)cc1,ZDXRHVVDVBGFAY-UHFFFAOYSA-N
rxn:4:221571:225594,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(F)cc2CN2CCCC2)cc1,UBJNZTPIJZMEKH-UHFFFAOYSA-N
rxn:4:221750:222423,COc1c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CC(C)=O)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZCOATBBCYFWPMM-UHFFFAOYSA-N
rxn:4:221768:224398,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)cc1C,RITYFXVRTFGIFB-UHFFFAOYSA-N
rxn:4:221781:222702,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)c1C,JNFOMXQVKDOWOR-UHFFFAOYSA-N
rxn:4:221782:222522,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCC(O)CC1,JFKNDGZOWWTUGC-UHFFFAOYSA-N
rxn:4:221782:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)cc3C)n(C)c2=O)cc1,HKXKBPVXWYUIOR-UHFFFAOYSA-N
rxn:4:221782:222930,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cnc(Cl)c(N5CCCC(O)C5)c4)cc3)c(=O)n2C)c(C)c1,BKZSROJKTFYTMC-UHFFFAOYSA-N
rxn:4:221782:222956,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C)cc4C4CCCNC4)cc3)c(=O)n2C)c(C)c1,AJMDDXLMSNAYQK-UHFFFAOYSA-N
rxn:4:221782:222997,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)c(=O)n2C)c(C)c1,FCDVXXPRKPKAED-UHFFFAOYSA-N
rxn:4:221784:222998,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,LJOIRRNRWPRRNL-UHFFFAOYSA-N
rxn:4:221786:223697,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCCCC5)cc4C(F)(F)F)cc3)c(=O)n2C)cc1C,NQGBTKDAXABAJI-UHFFFAOYSA-N
rxn:4:221787:223007,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,PLPXPDCZXZXLCA-UHFFFAOYSA-N
rxn:4:221790:222847,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C#N)cc(C4CCCNC4)c3)cc2)n(C)c1=O,TVVZXMFCZSLQSN-UHFFFAOYSA-N
rxn:4:221790:223006,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2)n(C)c1=O,AQGKHBPRBZXBKH-UHFFFAOYSA-N
rxn:4:221790:225592,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)ccc3CN3CCCC3)cc2)n(C)c1=O,VTUTZQJVBBBXSX-UHFFFAOYSA-N
rxn:4:221791:223008,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCNCC3)ccc2F)cc1,DBRJAQKEQAJSJL-UHFFFAOYSA-N
rxn:4:221791:225591,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(CN3CCCC3)ccc2F)cc1,URJXUFKFTMVCPJ-UHFFFAOYSA-N
rxn:4:221928:222701,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)ccc3OC)nnc12,UROLMXPNBOOFJZ-UHFFFAOYSA-N
rxn:4:221995:224600,Cc1ccc(-c2cc(F)c(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)c(C)n56)n(C)c4=O)cc3)cc2F)cc1,XBUZAGPAFLDBKB-UHFFFAOYSA-N
rxn:4:222142:224214,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccc(Cl)cc2)cc1,PIJNGUJDOHKUTJ-UHFFFAOYSA-N
rxn:4:222362:222630,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCC7)nc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,XNTMZFDBDSJLLA-UHFFFAOYSA-N
rxn:4:222362:223579,CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1,SYIXGTPKMMBTHQ-UHFFFAOYSA-N
rxn:4:222362:225053,CC1CCCCN1c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(F)c1,WJVOMOQRIYXFNV-UHFFFAOYSA-N
rxn:4:222363:223846,Cc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CC3CCC2(C)C3(C)C)c1,VUIHPQQEXIQHOO-UHFFFAOYSA-N
rxn:4:222363:224787,CCCCSc1ncc(C(F)(F)F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,MJISTCNQANYVRM-UHFFFAOYSA-N
rxn:4:199911:223570,COC(=O)Cn1c(=NC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)s2)sc2cc(OC)ccc21,SQWNXUGTIMPRTM-UHFFFAOYSA-N
rxn:4:200025:223179,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,LROJGMGFBOOZIN-UHFFFAOYSA-N
rxn:4:201190:222461,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(-c2c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc24)c1)N(CCCN1CCOCC1)C3=O,SQRIOLHIXIZWPT-UHFFFAOYSA-N
rxn:4:202705:222423,COc1c(-c2ccc(-n3c(SCc4cc(C)ccc4C)nc4c(c3=O)SCC4)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PEGBSPXNPXWOQD-UHFFFAOYSA-N
rxn:4:202750:222423,COc1c(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCC(C)CC4)cnc4ccc(F)cc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QTZWNPYOEAKIIE-UHFFFAOYSA-N
rxn:4:203478:222423,COc1c(-c2cnc(OC3CCOCC3)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SNEWJKIXUBMVHO-UHFFFAOYSA-N
rxn:4:206180:227668,COc1c(F)cc(-c2cnc(OC3CCSCC3)nc2)c(C)c1F,KEAJGDOPQJZLJR-UHFFFAOYSA-N
rxn:4:212745:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,KDMIUYLIOGBPAI-UHFFFAOYSA-N
rxn:4:213279:222423,COc1c(-c2ccc(C3=NN(S(=O)(=O)c4ccc(C)cc4)C(c4cccc([N+](=O)[O-])c4)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ARHHILXFJSFQIK-UHFFFAOYSA-N
rxn:4:213445:222462,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)cc7nc(NC(=O)OC(C)(C)C)sc7c6F)c(OC)ccc5c4)nc23)cc1OC,SCZUWMVPQWMLIH-UHFFFAOYSA-N
rxn:4:213448:222462,COc1ccc(C2CC(c3c(C)nc4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,DTVAQZWHZAGTEF-UHFFFAOYSA-N
rxn:4:213703:222423,COc1c(-c2ccc(C#N)c(Oc3cnn(C4CCCCO4)c3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HLRWJJGEVZAJQQ-UHFFFAOYSA-N
rxn:4:214358:222624,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cc(CC(C)C)nc(C5CCNCC5)c4)cc3c2-c2ccccc2)CC1c1ccccc1F,ATVDUPPVRJGCIY-UHFFFAOYSA-N
rxn:4:214386:222423,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cccc(-c7nc8ccc9[nH]ncc9c8c8c7CCC8)c6OC)cccc5c4C3)n(C)c2c1,QSDOTJKAAPWRBC-UHFFFAOYSA-N
rxn:4:214388:226432,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CCCC5)nc4F)c(OC)cc12)CC3,LUZOCWLRWCKBRM-UHFFFAOYSA-N
rxn:4:214388:226668,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)cc(-n5ccnc5)c4)c(OC)cc12)CC3,BIJWKDBGCWZBLP-UHFFFAOYSA-N
rxn:4:218755:222489,COc1ccc(CNc2cc(-c3cc4c(s3)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)n4CC#N)ccn2)c(OC)c1,DFCHHODGQZVCGH-UHFFFAOYSA-N
rxn:4:219130:222462,COc1ccc2[nH]c(CN3CCN(C(=O)c4ccc(-c5c(F)cc6nc(NC(=O)OC(C)(C)C)sc6c5F)o4)CC3)nc2c1,HKGUBEYFUBFOJW-UHFFFAOYSA-N
rxn:4:221569:222848,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(OC)cc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,ZMHWRVBMSLVLIZ-UHFFFAOYSA-N
rxn:4:221574:223008,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)cc1,DIPPCKXLPHGAJN-UHFFFAOYSA-N
rxn:4:221743:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(-c2c(C)nn3c2nnc2c(=O)n(-c4ccc(OC)cc4)ccc23)cc1,QYWHYPFKJMZLOF-UHFFFAOYSA-N
rxn:4:221778:224376,CC1CN(c2ccc(-c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,FPUXPSVSOABALP-UHFFFAOYSA-N
rxn:4:221782:222929,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cnc(Cl)c(N5CCC(O)CC5)c4)cc3)c(=O)n2C)c(C)c1,DRHULVNBOWIONF-UHFFFAOYSA-N
rxn:4:221783:222822,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)c(=O)n2C)c1,FUPQATSAXVNHIR-UHFFFAOYSA-N
rxn:4:221784:223133,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccccc4N4CCNCC4)cc3)n(C)c2=O)c1,DNNMNIYDOGXFSY-UHFFFAOYSA-N
rxn:4:221785:222850,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)n(C)c2=O)c1,YGYYOFFGKOUHIL-UHFFFAOYSA-N
rxn:4:221785:222986,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C)nc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,PBCGPZITTWKLGT-UHFFFAOYSA-N
rxn:4:221786:222702,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1C,VTNDHNWCFANZIH-UHFFFAOYSA-N
rxn:4:221786:223009,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)cc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1C,JYGDMBLDRMLSGE-UHFFFAOYSA-N
rxn:4:221789:222826,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cccc(S(=O)(=O)N5CCNCC5)c4)cc3)n(C)c2=O)cc1,OEBZSPJAAWMUDW-UHFFFAOYSA-N
rxn:4:221790:222846,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)n(C)c1=O,DQMGVKISJCHVNP-UHFFFAOYSA-N
rxn:4:221790:225595,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)c(CN4CCCC4)c3)cc2)n(C)c1=O,ZGSDPJKAGJGQMY-UHFFFAOYSA-N
rxn:4:221791:223054,CC(c1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)s1)N1CCC(O)C1,SBJSFSFUDNITFY-UHFFFAOYSA-N
rxn:4:221986:223827,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(CC)CC3)cc2)CC1,QOUQSRYVTQOOSY-UHFFFAOYSA-N
rxn:4:222137:224226,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cc1,ZBTMSZSXOVCUFR-UHFFFAOYSA-N
rxn:4:222205:222389,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,IHEWHGUZOONPIJ-UHFFFAOYSA-N
rxn:4:222362:224239,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(F)c6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,LBJUTPOHBXJOSC-UHFFFAOYSA-N
rxn:4:222363:223872,CCN(C(=O)c1cccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1)C1CCCCC1,PRFSYDPWOUVSIR-UHFFFAOYSA-N
rxn:4:222363:224351,Cc1cc(CN2CCN(c3c(-c4ccc(C5CCCCO5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CJQXWIPBBYJZDX-UHFFFAOYSA-N
rxn:4:200635:222423,COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,XPFNZQXEMVNRAZ-UHFFFAOYSA-N
rxn:4:201189:223578,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)cc1,RIUPRDCDVQQDDY-UHFFFAOYSA-N
rxn:4:202708:223179,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,HYVZYAAPWHUUGF-UHFFFAOYSA-N
rxn:4:213427:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3c(SCC(=O)N4CCCc5ccccc54)nc4c(c3=O)SCC4)cc2)CC1,YGPLPVAAGWOIOX-UHFFFAOYSA-N
rxn:4:213445:222486,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cncc(-c7cncc(C8CCCCN8)c7)c6)c(OC)ccc5c4)nc23)cc1OC,NNJDFLHXMYYKQI-UHFFFAOYSA-N
rxn:4:213445:223828,CCN1CCN(c2cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)cc(C(F)(F)F)c2)CC1,KTORUZIBJSICIJ-UHFFFAOYSA-N
rxn:4:213449:222462,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)cc3c2-c2ccccc2)=NN1C(C)=O,QHNWCPICMQMPIA-UHFFFAOYSA-N
rxn:4:213450:222717,Cc1cc(-c2ccc3nc(C)c(C4=NN(C(=O)C(C)C)C(c5ccccc5F)C4)c(-c4ccccc4)c3c2)c(S(=O)(=O)NC(C)(C)C)cc1F,OJFMOOPVBYNNOV-UHFFFAOYSA-N
rxn:4:213473:222486,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cncc(-c6cncc(C7CCCCN7)c6)c5)cc4)n(-c4ccccc4C)c(=O)c23)C1,BVGWJGRWHBXRTK-UHFFFAOYSA-N
rxn:4:213480:222462,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,HYBOEQPTDMFVDV-JYUCMUJCSA-N
rxn:4:214385:222537,COc1cc2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCCC7)nc(C7CCCNC7)c6)cccc5c4C3)n(C)c2cc1OC,BBYSCNLRIZWNAZ-UHFFFAOYSA-N
rxn:4:214388:225733,CCCCOc1cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(F)cc1F,BFOKBLBJGHRLIX-UHFFFAOYSA-N
rxn:4:218694:222389,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc2-c2nccs2)C1,PACGJKXODSSAOO-WBBHLRKXSA-N
rxn:4:218694:223841,Cc1cc(F)c(-c2ccc(-c3nccs3)c(C(=O)N3C[C@H](Oc4nccc(C#N)c4C)CC[C@H]3C)c2)cc1S(=O)(=O)N1CCN(C)CC1,UTNYWFQTXCBXHF-YIXXDRMTSA-N
rxn:4:218774:222929,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cnc(Cl)c(N7CCC(O)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,YVVBWMAIBQGNPU-UHFFFAOYSA-N
rxn:4:218788:223841,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccccc1-c1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1F,GEFZVYOJOCRLBH-UHFFFAOYSA-N
rxn:4:219746:222389,Cc1cccc(Cn2c(=O)c3c(nc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)c1,JTXDXVIWBPOSOI-UHFFFAOYSA-N
rxn:4:221376:227668,COc1c(F)cc(-c2cnc(OC3CCN(c4cc(C5CC5)ncn4)CC3)nc2)c(C)c1F,NSERDXGEGGQHCQ-UHFFFAOYSA-N
rxn:4:221559:222423,COCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,ILUJPTOBIQWGMV-UHFFFAOYSA-N
rxn:4:221565:222729,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(Cc6ccco6)c(C)c(C)n45)n(C)c3=O)cc2)cc(C2CCCNC2)n1,SSHTZYBLTOGANR-UHFFFAOYSA-N
rxn:4:221574:222846,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)cc1,OCQJWFZPXRCJGD-UHFFFAOYSA-N
rxn:4:221574:225900,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc([N+](=O)[O-])ccc4CN(C)C)cc3)c(=O)n2C)cc1,CYUNYMQMXCAFNX-UHFFFAOYSA-N
rxn:4:221752:222488,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(NC(=O)OCc4ccccc4)cnc3C)cc2)n(C)c1=O,KVFFZTYXFSNMAI-UHFFFAOYSA-N
rxn:4:221761:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3c(F)cccc3Cl)c(=O)n2C)cc1,YKZGUDCVZLYTEQ-UHFFFAOYSA-N
rxn:4:221774:222956,Cc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)c(C2CCCNC2)c1,XRZDDQZSRXJBOB-UHFFFAOYSA-N
rxn:4:221776:224950,COc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)c(CN2CCCC2)c1,KHBHDDFKINEKFV-UHFFFAOYSA-N
rxn:4:221781:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4C)n(C)c3=O)cc2)c(C(F)(F)F)c1,UTPCMTJDSJXUGV-UHFFFAOYSA-N
rxn:4:221782:222846,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)c(C)c1,CLBDBUYRULUTRK-UHFFFAOYSA-N
rxn:4:221782:222998,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,KOKIIJXGJXDQCX-UHFFFAOYSA-N
rxn:4:221784:223008,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)n(C)c2=O)c1,YOLKKQOWGNALKE-UHFFFAOYSA-N
rxn:4:221785:225594,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)n(C)c2=O)c1,OVMLYDLRTFVWAW-UHFFFAOYSA-N
rxn:4:221786:223001,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)cc1C,FCRITTOXTRJOCZ-UHFFFAOYSA-N
rxn:4:221787:222846,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)c1,LZJWBUWSKOGYHU-UHFFFAOYSA-N
rxn:4:221788:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(C)cc3)n(C)c2=O)cc1,QPKVYYBQMNJEDR-UHFFFAOYSA-N
rxn:4:221790:222524,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC(O)CC3)cc2)n(C)c1=O,MNAPTOJQLFHZLA-UHFFFAOYSA-N
rxn:4:221790:222702,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)n(C)c1=O,NGZGGWJXRFOVJY-UHFFFAOYSA-N
rxn:4:221990:223699,COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,PIAPAIQENDPDKP-UHFFFAOYSA-N
rxn:4:222137:224202,Cc1cc(Cl)c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)cc1OCc1cccnc1,UIYZDRLXLYVPAH-UHFFFAOYSA-N
rxn:4:222144:225289,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(F)(F)F)ccc2OC(C)C)cc1,DVCNKBYYMGHXSI-UHFFFAOYSA-N
rxn:4:222250:223842,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(C)CC5)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,GIHHRDTXHNIOEW-UHFFFAOYSA-N
rxn:4:222362:222458,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)Nc7cccc([N+](=O)[O-])c7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,CUIPFFHPYOLPAG-UHFFFAOYSA-N
rxn:4:222363:224837,Cc1cc(CN2CCN(c3c(-c4ccc5cc6ccccc6cc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IORPCVHXDGYGOM-UHFFFAOYSA-N
rxn:4:199597:222423,COc1c(-c2cc(OC(F)(F)F)ccc2OCCN2CCN(C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QKAMDIWAIFNHBL-UHFFFAOYSA-N
rxn:4:200025:223231,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3ccc(C(=O)NC)c(C)c3)ccc21,CLGCARUYPGQHQZ-UHFFFAOYSA-N
rxn:4:201186:223492,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(C)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,ZXQNXCCVTXGGJC-UHFFFAOYSA-N
rxn:4:202673:222423,COc1c(-c2ccc(S(=O)(=O)c3c(C(=O)N4CCCC4)cnc4ccc(F)cc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JOYBAGZIQZKZAI-UHFFFAOYSA-N
rxn:4:202798:222389,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1,IMOFPXGHLOYOMZ-UHFFFAOYSA-N
rxn:4:212594:227668,COc1c(F)cc(-c2cnc(OC3CCN(C(=O)CSC4CCCC4)C3)nc2)c(C)c1F,OYDMIYASHCTWQL-UHFFFAOYSA-N
rxn:4:212741:223845,CC1CN(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCN(C)CC3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,FLWDCYCWCMDRHP-UHFFFAOYSA-N
rxn:4:213445:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c2)CC1,HWOTXHCXTKMXRX-UHFFFAOYSA-N
rxn:4:214388:223536,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)c(F)c(N5CCN(C(=O)OC(C)(C)C)CC5)c4)c(OC)cc12)CC3,XBESVWSZNVZBNX-UHFFFAOYSA-N
rxn:4:215275:222423,COc1c(-c2ccc3c(c2)C2CC(c4ccc(Cl)cc4)=NN2C(c2ccc([N+](=O)[O-])cc2)O3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OMONMTRPVASNCE-UHFFFAOYSA-N
rxn:4:218778:223841,Cc1cc(F)c(-c2cc(Cl)cc3c2nc(N2CC4(CN(C(=O)OC(C)(C)C)C4)C2)n3Cc2cc(C)c(F)c(C)c2)cc1S(=O)(=O)N1CCN(C)CC1,RLBMFRXOPCCLTB-UHFFFAOYSA-N
rxn:4:219189:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)c1,HVELMDBLEDYCMB-UHFFFAOYSA-N
rxn:4:219780:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,FEOXLKTXZMPMOA-UHFFFAOYSA-N
rxn:4:221277:222462,Cn1c(=O)n(Cc2ccc(-c3c(F)cc4nc(NC(=O)OC(C)(C)C)sc4c3F)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,SWRKBDBXNPAIEX-UHFFFAOYSA-N
rxn:4:221566:223827,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C(F)(F)F)ccc4N4CCN(CC)CC4)cc3)c(=O)n2C)cc1,BIGTUZUXGVPEOJ-UHFFFAOYSA-N
rxn:4:221774:222702,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)n(C)c1=O,MGJPGKYKWRNTCU-UHFFFAOYSA-N
rxn:4:221774:222706,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)cc2)n(C)c1=O,SNIJRYIBNKAGPN-UHFFFAOYSA-N
rxn:4:221774:223541,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)n(C)c1=O,NJNVPRUYDAQGID-UHFFFAOYSA-N
rxn:4:221776:222889,CC1CN(c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,IYWTZHCRWUPRFL-UHFFFAOYSA-N
rxn:4:221776:222956,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)c(C2CCCNC2)c1,VGUITUXTCLPHFK-UHFFFAOYSA-N
rxn:4:221781:223001,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)c1C,COZIOZLPCVEKOE-UHFFFAOYSA-N
rxn:4:221783:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3cccc(C)c3)n(C)c2=O)cc1,RCWCLUROSTZGCF-UHFFFAOYSA-N
rxn:4:221784:222846,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)n(C)c2=O)c1,ABCXGYCMUWKUKG-UHFFFAOYSA-N
rxn:4:221785:222824,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)n(C)c2=O)c1,VWGXWYMGEXRZAN-UHFFFAOYSA-N
rxn:4:221785:222996,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)n(C)c2=O)c1,YJWWWHVCNMMLNK-UHFFFAOYSA-N
rxn:4:221786:225594,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCCC4)cc3)c(=O)n2C)cc1C,VVGKVPVGXPYEKB-UHFFFAOYSA-N
rxn:4:221789:222822,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)n(C)c2=O)cc1,SMVYGTHNTUYHET-UHFFFAOYSA-N
rxn:4:221789:222846,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)n(C)c2=O)cc1,VUQJSQSABRIYGK-UHFFFAOYSA-N
rxn:4:221789:222996,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)n(C)c2=O)cc1,HWTLCHBUKXSKGO-UHFFFAOYSA-N
rxn:4:221790:222824,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(S(=O)(=O)NC(C)C)c(C)cc3F)cc2)n(C)c1=O,KLEIUNVLVBKFPP-UHFFFAOYSA-N
rxn:4:221790:222850,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCNCC4)ccc3C#N)cc2)n(C)c1=O,QSUOEJUKGRQZFB-UHFFFAOYSA-N
rxn:4:221793:222956,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)c(C2CCCNC2)c1,PFIFUJHMDSGUKG-UHFFFAOYSA-N
rxn:4:221995:225249,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cncc(-c6cc(F)cc(F)c6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,UNUTWTQXGCVKAG-UHFFFAOYSA-N
rxn:4:222138:224214,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2OCc2ccc(Cl)cc2)cc1,OEKGMFLFKCQASN-UHFFFAOYSA-N
rxn:4:222205:223570,Cc1ccc(-c2nnc3n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,XVHHFNXHMKMWRV-UHFFFAOYSA-N
rxn:4:222263:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(-c4noc(Cn5cnc6c(nnn6Cc6ccc(F)cc6)c5=O)n4)ccc3F)c2)CC1,VUORBNHRFWTLIB-UHFFFAOYSA-N
rxn:4:222363:223876,Cc1cc(CN2CCN(c3c(-c4cc(C)c(OCc5ccccc5Cl)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,JSZFSBUDQALGDS-UHFFFAOYSA-N
rxn:4:200021:223180,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(C(=O)NOC)c(F)c3)ccc21,ATOFIRKOBFKFMQ-UHFFFAOYSA-N
rxn:4:200277:222741,O=[N+]([O-])c1ccc(OCCN2CCCC2)c(-c2cc(C3CC3)nc(C3CCCNC3)c2)c1,YRIPGZRVIAWBFH-UHFFFAOYSA-N
rxn:4:201186:223530,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(F)ccc5CN5CCN(C(=O)OC(C)(C)C)CC5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,LXLQKFRSYNTPKD-UHFFFAOYSA-N
rxn:4:212839:222698,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(C(=O)N5CCC(O)CC5)c(Cl)c4)ccn23)CC1,KYELCPYSGHWTPI-UHFFFAOYSA-N
rxn:4:213405:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4c(C)cc(C(=O)CSc5ncnc6sc(C)c(C)c56)c4C)cc3)c(F)cc2C)CC1,VPYZHXPFJOPYBI-UHFFFAOYSA-N
rxn:4:213438:222423,COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,KQHKZPPHOJHROZ-UHFFFAOYSA-N
rxn:4:213445:223953,COCCN1CCN(c2cc(F)cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c2)CC1,HRCKCFLCMCRKCN-UHFFFAOYSA-N
rxn:4:213445:224668,CCN1CCN(c2cc(F)cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c2)CC1,QTNNGSMHDXEHOC-UHFFFAOYSA-N
rxn:4:213451:223952,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCN(C)CC6)c(Cl)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,KQOXYRQKAQGMBU-UHFFFAOYSA-N
rxn:4:213451:226459,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C#N)cc6ncn(C)c56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JFFHIWKZRTWHOT-UHFFFAOYSA-N
rxn:4:214050:222423,COc1c(-c2cnc(N3C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]3C)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LUSFBADNKSNOLB-RTWAWAEBSA-N
rxn:4:214388:226572,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cnc(OC5CCCC5)nc4)c(OC)cc12)CC3,ZMGBSNJOLWWGLQ-UHFFFAOYSA-N
rxn:4:221563:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCC(C)C)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OEOJQUVADYRYDP-UHFFFAOYSA-N
rxn:4:221574:226039,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4CC)cc3)c(=O)n2C)cc1,CUOOAUYJGWTDFV-UHFFFAOYSA-N
rxn:4:221757:222524,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1,AGZJICFVYUWEKP-UHFFFAOYSA-N
rxn:4:221770:224398,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)c(=O)n2C)c1,TUERHMBEMJCWMA-UHFFFAOYSA-N
rxn:4:221771:222891,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5c4ccccc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,FNEJYTZIYOXPGY-UHFFFAOYSA-N
rxn:4:221776:222702,CC1CN(c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,MXCQPMGXFLRRBA-UHFFFAOYSA-N
rxn:4:221776:222706,CC1CN(c2ccc(-c3cc(C4CCNCC4)ccc3C(F)(F)F)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,YECYZWAQCPUIHR-UHFFFAOYSA-N
rxn:4:221781:224017,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)cc3)c(=O)n2C)c1C,RTPVLDOBNILVOX-UHFFFAOYSA-N
rxn:4:221782:222630,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,GBWMMBHVDVCUAN-UHFFFAOYSA-N
rxn:4:221784:222700,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3)n(C)c2=O)c1,CLFDGBRACVLOOK-UHFFFAOYSA-N
rxn:4:221784:222857,COc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)cc(C2CCNCC2)c1,JBGGIMQSKNEJFU-UHFFFAOYSA-N
rxn:4:221784:222889,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)cc(CN5CCNCC5)c4)cc3)n(C)c2=O)c1,XHWSDJWRXOVCFY-UHFFFAOYSA-N
rxn:4:221784:223006,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)c(C5CCNCC5)c4)cc3)n(C)c2=O)c1,ZPVGJMVOFOPOTO-UHFFFAOYSA-N
rxn:4:221785:222702,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)n(C)c2=O)c1,QNVKDSKZFQCPIJ-UHFFFAOYSA-N
rxn:4:221785:222846,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)n(C)c2=O)c1,YJKHDLINMQYASY-UHFFFAOYSA-N
rxn:4:221785:223001,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)n(C)c2=O)c1,VCFOCCXHBBAYBG-UHFFFAOYSA-N
rxn:4:221786:223007,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1C,ICEPUGKTVUURCY-UHFFFAOYSA-N
rxn:4:221790:222886,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(N4CCNCC4)cc3C#N)cc2)n(C)c1=O,UDMNQKUIPBPZCX-UHFFFAOYSA-N
rxn:4:221790:222998,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(C4CCCNC4)c3)cc2)n(C)c1=O,VMWJYEJVPDQKSC-UHFFFAOYSA-N
rxn:4:221791:223007,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)cc(C3CCNCC3)c2)cc1,RNVRHCRVGVMTTM-UHFFFAOYSA-N
rxn:4:221917:223845,CCCc1noc(-c2cn(C3CCN(C(=O)c4cccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)c4)CC3)nn2)n1,RNIPEDADUUXUNW-UHFFFAOYSA-N
rxn:4:221990:223686,COc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(OC(F)(F)F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,QTMZEIIWKXUMME-UHFFFAOYSA-N
rxn:4:221995:224070,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cncc(-c6ccc(C(C)(C)C)cc6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OLVUECVPYCDUEF-UHFFFAOYSA-N
rxn:4:221995:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,SJFLQARODYXRON-UHFFFAOYSA-N
rxn:4:222142:222702,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C3CCCNC3)ccc2C(F)(F)F)cc1,JXRABKVSBSCMPU-UHFFFAOYSA-N
rxn:4:222195:222450,COc1ccc(CNS(=O)(=O)c2cccc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)c2)cc1,IHNIOUVRVXURMN-UHFFFAOYSA-N
rxn:4:222362:224309,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,BKSKTXWKFRCRIR-UHFFFAOYSA-N
rxn:4:222362:225603,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(C7(C#N)CCC7)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,JLODCVXTTVOCFL-UHFFFAOYSA-N
rxn:4:222363:226339,Cc1cc(CN2CCN(c3c(-c4cc(C#N)cc(Cl)c4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DZYSSIJSNOFCJE-UHFFFAOYSA-N
rxn:4:187949:223570,COc1cc(N2Cc3cc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)ccc3OCC2=O)cc(OC)c1OC,GCWFTPUCUIWRNN-UHFFFAOYSA-N
rxn:4:201131:223570,CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C)o3)c(=O)n2C1c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,LORFHIMBQFWKEX-UHFFFAOYSA-N
rxn:4:202708:223158,CCNC(=O)c1ccc(-c2ccc3c(c2)C(=C2SC(=S)N(Cc4ccc(OC)cc4)C2=O)C(=O)N3CC)cc1F,KXJZRWBICNBEBR-UHFFFAOYSA-N
rxn:4:204790:222423,COc1ccc(N2C(=O)N(c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)C3CS(=O)(=O)CC32)cc1,ZURDWGRNOMTTOM-UHFFFAOYSA-N
rxn:4:212846:224662,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(F)ccc5CN5CCN(C)CC5)cc4)n(Cc4ccco4)c(=O)c23)C1,DEAQBXUYEOPCEY-UHFFFAOYSA-N
rxn:4:213480:222518,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4ccc(F)c5sc(NC(=O)OC(C)(C)C)nc45)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,LAXHSJRHALAAHT-DLBLUJHTSA-N
rxn:4:214027:222423,COc1c(-c2cnc(N3CCCC(C(=O)N4CCOCC4)C3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OHYUEUIBZJHDEF-UHFFFAOYSA-N
rxn:4:214855:227668,COc1c(F)cc(-c2cnc(OC3CCN(C4CCSCC4)CC3)nc2)c(C)c1F,FZBHZSHMAMPRFX-UHFFFAOYSA-N
rxn:4:218787:222486,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)c1,HEURTWGJANBGHA-UHFFFAOYSA-N
rxn:4:221130:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(SCC(=O)N5CCN(c6ccccc6OC)CC5)n5c6ccccc6nc5c4c3)c(F)cc2C)CC1,HBWUFLCMCBPHRR-UHFFFAOYSA-N
rxn:4:221271:224004,Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccc(-c4cnc(Cl)c(-c5ccc(C(F)(F)F)cc5)c4)cc3)c(-c3ccccc3)cn21,BJAWZGZUQMULBN-UHFFFAOYSA-N
rxn:4:221277:222846,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,FAKITGMPVDJXCA-UHFFFAOYSA-N
rxn:4:221571:224290,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,HDOBEGDZJUGZOT-UHFFFAOYSA-N
rxn:4:221572:222538,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)cc2)n(C)c1=O,SKUINXPFEQSXPT-UHFFFAOYSA-N
rxn:4:221760:222462,Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1n2CCCN1c1ccc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1,DDMSAVMRVPBOMS-UHFFFAOYSA-N
rxn:4:221766:222524,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)cc1,SMVJAIGKONGKBP-UHFFFAOYSA-N
rxn:4:221771:222889,CC1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)cc(CN6CCNCC6)c5)cc4)c(=O)n3C)n2C1,YPSIEVJWIBJBLH-UHFFFAOYSA-N
rxn:4:221774:222700,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)n(C)c1=O,FWWRNTJBDXQBMD-UHFFFAOYSA-N
rxn:4:221774:222957,Cc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)cc(C2CCCNC2)c1,JMCKITLAINVUGC-UHFFFAOYSA-N
rxn:4:221774:222960,Cc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)cc(C2CCNCC2)c1,YGRVAJWVSFFNMH-UHFFFAOYSA-N
rxn:4:221783:224016,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)c1,VVWOYJXYEHTSRZ-UHFFFAOYSA-N
rxn:4:221783:224665,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)c(=O)n2C)c1,XWYOHAUPMRHPSL-UHFFFAOYSA-N
rxn:4:221784:224290,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(Cl)cc4OCCN4CCOCC4)cc3)n(C)c2=O)c1,WNFLQMIGWWLYKW-UHFFFAOYSA-N
rxn:4:221784:224950,COc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)c(CN2CCCC2)c1,CTHFZEPUZDWSFN-UHFFFAOYSA-N
rxn:4:221785:222438,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C(=O)Nc5cc([N+](=O)[O-])ccc5F)ccc4Cl)cc3)n(C)c2=O)c1,VDPIHZXSRAGRFW-UHFFFAOYSA-N
rxn:4:221785:225170,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)ccc4CN4CCOCC4)cc3)n(C)c2=O)c1,WEIVXJJLZSNAKQ-UHFFFAOYSA-N
rxn:4:221787:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cc(C)cc(C)c3)n(C)c2=O)cc1,FRHSNCQFJWFTIN-UHFFFAOYSA-N
rxn:4:221787:223001,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)c1,BSACHRAWBZQTCS-UHFFFAOYSA-N
rxn:4:221789:222702,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)n(C)c2=O)cc1,RFWURWVRBVJZJA-UHFFFAOYSA-N
rxn:4:221790:222889,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)n(C)c1=O,QPBVBGRUXYEHKJ-UHFFFAOYSA-N
rxn:4:221929:224405,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCCC5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,YDHKLTAUVHNXJB-UHFFFAOYSA-N
rxn:4:221986:223666,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(COc4ccc(OC(F)(F)F)cc4)c3)cc2)CC1,BJLFJQSFAOJLNW-UHFFFAOYSA-N
rxn:4:221987:223598,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(OCCN5CCC6(CC5)OCCO6)c(F)c4)ccc3OC)nnc12,VKDFQMCJKOHYOJ-UHFFFAOYSA-N
rxn:4:221995:223663,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(OCc6ccccc6)cc(OC(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,COWSHPCJNHRPIP-UHFFFAOYSA-N
rxn:4:222137:224212,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccccc2F)cc1,OBFYWMLGJDSKKB-UHFFFAOYSA-N
rxn:4:222352:223604,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cccc(Oc7ccc(C(F)(F)F)cc7[N+](=O)[O-])c6)cc5)c(C)nn43)c2=O)[nH]1,AGXQOEBNYOAGNT-UHFFFAOYSA-N
rxn:4:222362:227432,Cc1nc(C2COC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,GGTZYZNDOBTXQV-UHFFFAOYSA-N
rxn:4:185251:222423,COc1c(-c2ccc(C(=O)OCc3ccccc3)c(N3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,APCZEXAAWMPBSK-UHFFFAOYSA-N
rxn:4:199624:222423,CCCOc1cc(S(=O)(=O)n2cc(C)nc2CC)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,OFVLYDFRRRPPJR-UHFFFAOYSA-N
rxn:4:202708:223154,CCNC(=O)c1cc(-c2ccc3c(c2)C(=C2SC(=S)N(Cc4ccc(OC)cc4)C2=O)C(=O)N3CC)ccc1F,GUZODHFSTSMPHB-UHFFFAOYSA-N
rxn:4:207828:222423,COc1c(-c2cccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YHERUONXRQPEGT-UHFFFAOYSA-N
rxn:4:212839:223839,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(S(=O)(=O)N5CCN(C)CC5)ccc4OC)ccn23)CC1,CCNBWIZBOCHPJL-UHFFFAOYSA-N
rxn:4:213265:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(C(=O)N4CCC(N5CCC(Oc6nccs6)CC5)CC4)o3)c(F)ncc21,UPOAFOBFBMHSBJ-UHFFFAOYSA-N
rxn:4:213450:223697,Cc1nc2ccc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3C(F)(F)F)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,BPFZKMVHUMHKAP-UHFFFAOYSA-N
rxn:4:213451:226800,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(-n6cccn6)ncc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,YBRZPTJFOZNSGQ-UHFFFAOYSA-N
rxn:4:214280:223951,CCCn1c(C2CC(=O)N(c3ccc(-c4ccc(OCCN5CCN(C)CC5)c(F)c4)cc3)C2)nc2ccccc21,IAUBJHONCRZDJH-UHFFFAOYSA-N
rxn:4:214388:223652,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc5c(Cl)ccc(OC)c5n4C(=O)OC(C)(C)C)c(OC)cc12)CC3,UQPNLQSRFSMFJX-UHFFFAOYSA-N
rxn:4:218675:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cncc(C(=O)N4CCC(COc5cc(C6CCC6)ncn5)CC4)c3)c(F)ncc21,YIWCUBGDEPQLLD-UHFFFAOYSA-N
rxn:4:218694:222846,Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3cc(C4CCCNC4)ccc3C#N)ccc2-c2nccs2)C1,LBJYJPUAIHNTRS-SLMGNQKFSA-N
rxn:4:218755:222488,Cc1ncc(NC(=O)OCc2ccccc2)cc1-c1cc2c(s1)c(=O)n(C1CCN(C(=O)OC(C)(C)C)CC1)c(=O)n2CC#N,WILTUKYYCHOQDE-UHFFFAOYSA-N
rxn:4:218785:222473,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(C(=O)NCc4ccccc4)cc3OC)cc1-2,ZINAXBGEVJTGQQ-UHFFFAOYSA-N
rxn:4:219189:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(OC)c(-c3nc(Cn4ccn5nc(-c6ccc(C)c(C)c6)cc5c4=O)c(C)o3)c2)c(F)cc1C,BRILJLPZKKIGIT-UHFFFAOYSA-N
rxn:4:219199:222423,CCCc1nc2c3ccccc3n(CC(=O)c3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)c(=O)n2n1,UOQGKPILLFMXOH-UHFFFAOYSA-N
rxn:4:219739:223570,Cc1cccc(-n2c(=O)c3sccc3n(Cc3nc(-c4cccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)c4)no3)c2=O)c1,IMQDTOILXOQBHF-UHFFFAOYSA-N
rxn:4:221273:222702,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,YRDQDHSQEWQYOI-UHFFFAOYSA-N
rxn:4:221274:224795,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)ccc1F,RHIQGXXBHJTJED-UHFFFAOYSA-N
rxn:4:221539:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)c1,DWHNMKJUHVFRHU-UHFFFAOYSA-N
rxn:4:221575:222850,CC1CN(c2ccc(-c3cc(C4CCNCC4)ccc3C#N)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,NJQHJYNBONNFNH-UHFFFAOYSA-N
rxn:4:221575:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCc5ccccc5)c(=O)n4C)cc3)c2)CC1,LPUSEOZSKWDGLF-UHFFFAOYSA-N
rxn:4:221757:222462,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1,YUTZLOPRZQBWNP-UHFFFAOYSA-N
rxn:4:221772:222957,Cc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc(C2CCCNC2)c1,MQRJXOZECBZZJV-UHFFFAOYSA-N
rxn:4:221776:224664,CC1CN(c2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,WUGCCKLLTQSZMX-UHFFFAOYSA-N
rxn:4:221776:224687,CC1CN(c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,PUSYLHBDDIMPEP-UHFFFAOYSA-N
rxn:4:221776:225632,CC1CN(c2ccc(-c3cccc(N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,OZXNKTNVXNCOBE-UHFFFAOYSA-N
rxn:4:221777:222889,CC1CN(c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,KNRDOASANXZBLE-UHFFFAOYSA-N
rxn:4:221778:222889,CC1CN(c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,ZXAQBXPCLPOHSB-UHFFFAOYSA-N
rxn:4:221785:225174,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4CN4CCOCC4)cc3)n(C)c2=O)c1,SGBDXERTPNJBPR-UHFFFAOYSA-N
rxn:4:221787:224017,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N5CCCS5(=O)=O)cc4C(F)(F)F)cc3)c(=O)n2C)c1,CMDKVZIDDBZPDN-UHFFFAOYSA-N
rxn:4:221788:224665,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)c(=O)n2C)cc1,GXVVZYFSQMAYKR-UHFFFAOYSA-N
rxn:4:221789:222824,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(S(=O)(=O)NC(C)C)c(C)cc4F)cc3)n(C)c2=O)cc1,RDUSBTYSTXYJPT-UHFFFAOYSA-N
rxn:4:221792:222851,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5C4CCCCC4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,JODHEROMUUAWNJ-UHFFFAOYSA-N
rxn:4:221988:223532,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)cc(CN5CCN(C(=O)OC(C)(C)C)CC5)c4)ccc3OC)nnc12,MIELJFRMYFEVKR-UHFFFAOYSA-N
rxn:4:221995:225205,Cc1cc(C(F)(F)F)c(C2CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,DLHFJUWQUDRIKY-UHFFFAOYSA-N
rxn:4:222362:223560,COC(=O)c1cc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)nc2ccccc12,TZHJXIDKFKMXEF-UHFFFAOYSA-N
rxn:4:222362:224599,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)C7CCCCC7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,QLVNCJWTMMFVBT-UHFFFAOYSA-N
rxn:4:222362:225427,CCCCOc1c(C)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1C,VFGWVZAFCIRGHB-UHFFFAOYSA-N
rxn:4:222363:223942,Cc1cc(CN2CCN(c3c(-c4cc5nnn(Cc6ccccc6)c5cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RHLXKWIXTODISW-UHFFFAOYSA-N
rxn:4:180765:223157,CCNC(=O)c1cc(F)cc(-c2ccc(C=C3Oc4cc(OC)ccc4C3=O)cc2)c1,VBYCDUWKDPSLTL-UHFFFAOYSA-N
rxn:4:199867:222423,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c(C2OCCO2)c1,IMQNMAHBMMQLKL-UHFFFAOYSA-N
rxn:4:201147:223179,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,SAIRIHYEZPRKHV-UHFFFAOYSA-N
rxn:4:204950:222389,Cc1cc(C)c2oc3c(c(=O)c2c1)C(c1ccc(-c2cc(C4CCNCC4)nc(C4CCNCC4)c2)cc1)N(Cc1cccnc1)C3=O,IUMWVAZUDVVSLE-UHFFFAOYSA-N
rxn:4:212795:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)sc(=NC(=O)c3ccc(N(C)C)cc3)n4CCOC)c(F)cc2C)CC1,XTAHTEJUNSUYEK-UHFFFAOYSA-N
rxn:4:213445:224196,CCN1CCN(Cc2cc(F)cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)c2)CC1,GAETYWPVGFOORJ-UHFFFAOYSA-N
rxn:4:213449:223578,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4cnc(N5CCCCC5)nc4OCc4ccccc4)cc3c2-c2ccccc2)=NN1C(C)=O,DTLBQADZTNPNRW-UHFFFAOYSA-N
rxn:4:213450:224290,Cc1nc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,HVKQLFHQPPAERW-UHFFFAOYSA-N
rxn:4:213451:224761,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N6CCCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FWNRMRNETXMIKU-UHFFFAOYSA-N
rxn:4:213523:222423,COc1c(-c2ccc(-n3cc(OCC(F)(F)F)cn3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FHSURBAOGFHWQO-UHFFFAOYSA-N
rxn:4:214228:222423,COC(=O)c1nn(S(=O)(=O)c2c(C)cc(C)cc2C)c2ncc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc12,QGEDMKVZQJNPPT-UHFFFAOYSA-N
rxn:4:214359:223841,CC(=O)N1N=C(c2c(C)nc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3c2-c2ccccc2)CC1c1ccc(F)cc1,NCLPSEOLFFVTOO-UHFFFAOYSA-N
rxn:4:214362:222409,CCn1cc(-c2nc(-c3ccc(-c4ccc(OC)c(S(N)(=O)=O)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,UUPDCCJDZMJQSZ-UHFFFAOYSA-N
rxn:4:218785:223951,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(OCCN4CCN(C)CC4)c(F)c3)cc1-2,KCMYTNHCIOFACL-UHFFFAOYSA-N
rxn:4:219189:223134,COc1ccc(-c2cnccc2C2CCCNC2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,ZRWSYKALXMBLRY-UHFFFAOYSA-N
rxn:4:219562:222628,O=C(c1cncc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)c1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1,NYNYSKWKPHRVNF-UHFFFAOYSA-N
rxn:4:219778:222996,CCn1cc(-c2nc(-c3ccc(-c4ccc(F)cc4C4CCCNC4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,WQSHHWJAZDSWAZ-UHFFFAOYSA-N
rxn:4:221570:223001,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)c(=O)n2C)c1,FLEPZXHNVPHOLS-UHFFFAOYSA-N
rxn:4:221747:222439,Cn1c(=O)n(Cc2ccc(-c3ccc(S(=O)(=O)NC4CCCCC4)cc3C(F)(F)F)cc2)c(=O)c2c1nc1n2CCN1c1ccc(F)cc1,XYRDCYQHWUGJEP-UHFFFAOYSA-N
rxn:4:221758:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)CC1,SAJULRKPBLTZFG-UHFFFAOYSA-N
rxn:4:221776:222997,CC1CN(c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,GKEDKRZUOOAAMZ-UHFFFAOYSA-N
rxn:4:221776:224667,CC1CN(c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,LOJAAFQGBPWARG-UHFFFAOYSA-N
rxn:4:221777:223691,CC1CN(c2ccc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,GCLLRHAXYGZFQY-UHFFFAOYSA-N
rxn:4:221782:222465,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,LGZBAUUHJSVGDY-UHFFFAOYSA-N
rxn:4:221784:223842,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(C)CC4)cc3)n(C)c2=O)c1,JAJTVZGHCIZVLS-UHFFFAOYSA-N
rxn:4:221784:224311,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(-n5ccnc5)cc(-n5ccnc5)c4)cc3)n(C)c2=O)c1,KKWDAJOKLYWPPV-UHFFFAOYSA-N
rxn:4:221785:226129,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cccc(CN5CCCC5)c4)cc3)n(C)c2=O)c1,YYIDETTYSXZRAL-UHFFFAOYSA-N
rxn:4:221787:222523,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)NC(C)(C)C)cc4C(F)(F)F)cc3)c(=O)n2C)c1,QCEOSQIMSNWGHU-UHFFFAOYSA-N
rxn:4:221788:222850,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)cc1,FRMBTUCNCNDINY-UHFFFAOYSA-N
rxn:4:221928:222892,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(N5CCNCC5)cc4OC)ccc3OC)nnc12,IQFMCGXRUSYNFX-UHFFFAOYSA-N
rxn:4:221986:223509,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2)CC1,JOUMRNLYNFEOKF-UHFFFAOYSA-N
rxn:4:222126:223488,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc4cc(Oc5ccccc5)ccc4n3C(=O)OC(C)(C)C)cc2)CC1,FNAIFHBKMSYDLV-UHFFFAOYSA-N
rxn:4:222137:224206,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccc(F)cc2)cc1,POYIWLYBPZHZGK-UHFFFAOYSA-N
rxn:4:222144:224290,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,YHYVQCDBEUQYDV-UHFFFAOYSA-N
rxn:4:222197:222423,CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OC)nnc12,ADYGAWNUSGHHEQ-UHFFFAOYSA-N
rxn:4:222271:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4C)c3=O)n2)ccc1F,DPXLJJWVORZQHL-UHFFFAOYSA-N
rxn:4:222362:222504,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)c(C(=O)NCc7ccc(F)cc7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,UHROQMOOBQSCAX-UHFFFAOYSA-N
rxn:4:222362:223689,CCN1CCN(S(=O)(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2OC)CC1,NLLKGAKORRJVQM-UHFFFAOYSA-N
rxn:4:222362:223698,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC(F)(F)F)c(S(=O)(=O)N7CCCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,CZPCLMXNIXGANQ-UHFFFAOYSA-N
rxn:4:222362:225936,CC(C)c1ncc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,UBUOCSDFNNRUOJ-UHFFFAOYSA-N
rxn:4:222363:222717,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)cc4S(=O)(=O)NC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ODDBTCXQWMVOTC-UHFFFAOYSA-N
rxn:4:222363:225010,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(CN5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BFKGVTVOZZFGHF-UHFFFAOYSA-N
rxn:4:180765:222741,COc1ccc2c(c1)OC(=Cc1ccc(-c3cc(C4CC4)nc(C4CCCNC4)c3)cc1)C2=O,DCRYVFYQBLFKLF-UHFFFAOYSA-N
rxn:4:185301:222423,COc1c(-c2ccc(C)c(OCCCN3CCC(C)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RJERWFPQWXZRMY-UHFFFAOYSA-N
rxn:4:185628:222389,Cc1cc2oc(C(=O)N(Cc3cccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)c3)C3CCS(=O)(=O)C3)c(C)c2cc1C,YZMOQBDZKNPILM-UHFFFAOYSA-N
rxn:4:199863:222423,CCCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,LGPIDJZRNLOWID-UHFFFAOYSA-N
rxn:4:200021:223179,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3ccc(F)c(C(=O)NOC)c3)ccc21,MMRQCOKSXPUDBH-UHFFFAOYSA-N
rxn:4:201187:223528,CCCOc1cccc(C2c3c(oc4ccc(-c5ccc(F)c(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,OLKQBYPLSVJHRS-UHFFFAOYSA-N
rxn:4:201187:223574,CCCOc1cccc(C2c3c(oc4ccc(-c5cccc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,DDROYIJILOTVRP-UHFFFAOYSA-N
rxn:4:204956:222466,Cc1cc(N2C(=O)c3oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)no1,PEECLPVRDIKBIE-UHFFFAOYSA-N
rxn:4:207957:222389,Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)c2)c1,CYAWQGLHZHXZKW-UHFFFAOYSA-N
rxn:4:212751:222996,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(F)cc3C3CCCNC3)c2)CCN1C(=O)OC(C)(C)C,ZINOLRMRHDOROQ-UHFFFAOYSA-N
rxn:4:212780:223570,COC(=O)Cn1c(=NC(=O)c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21,CMTKJNQLJTXGCW-UHFFFAOYSA-N
rxn:4:212820:223570,COCCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)ccc21,ICDWZLJDERBVEX-UHFFFAOYSA-N
rxn:4:213093:222423,COc1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2C#N)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YIPQUNLLKAOYOW-UHFFFAOYSA-N
rxn:4:213451:223657,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cn(S(=O)(=O)c6ccc(C)cc6)c6ccncc56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,FDRHZYRWKRDROS-UHFFFAOYSA-N
rxn:4:213475:222494,COc1cc(-c2ccc(NC(=O)OCc3ccccc3)cc2F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,MFBVMHGGTHYRJN-IQRUICDZSA-N
rxn:4:213475:224061,CCCC1CCC(c2ccc(-c3ccc([C@@H]4c5ccc6c(cnn6C6CCCCCO6)c5C[C@@H](C)N4CC(F)(F)F)c(OC)c3)c(F)c2)CC1,VBIHIYVYMZDKMZ-IYVOVNEQSA-N
rxn:4:214380:222423,COc1c(-c2cccc(Cn3c4ccc(C)cc4c4ncn(Cc5ccccc5Cl)c(=O)c43)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BSDGYMBQWKFFFZ-UHFFFAOYSA-N
rxn:4:214388:222730,CCCc1cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)cc(C2CCNCC2)n1,CHMSVDRBGZZOCF-UHFFFAOYSA-N
rxn:4:214388:224406,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(F)c(S(=O)(=O)N5CCOCC5)c4)c(OC)cc12)CC3,RFFCMOJUGXPHQH-UHFFFAOYSA-N
rxn:4:214388:225737,CCCCOc1c(F)ccc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1F,ANHQQRKEHOSETD-UHFFFAOYSA-N
rxn:4:218785:222518,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cc1-2,YCBNALSMOGWEDB-UHFFFAOYSA-N
rxn:4:219962:222423,COc1c(-c2ccc(-n3nnc(C(=O)N4CCSCC4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BXCRBJWDRVJRDK-UHFFFAOYSA-N
rxn:4:221575:224687,CC1CN(c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,QKOMOJBEDZUWBW-UHFFFAOYSA-N
rxn:4:221755:222851,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(C)cc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,XPMXPSCXYOENIP-UHFFFAOYSA-N
rxn:4:221758:224668,CCN1CCN(c2cc(F)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5Cl)c(=O)n4C)cc3)c2)CC1,DSRAIIYVJUABCP-UHFFFAOYSA-N
rxn:4:221770:222891,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,MEPVFQUOEPZAHR-UHFFFAOYSA-N
rxn:4:221772:224687,CC1CN(c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,FRSAFMARVYFQFV-UHFFFAOYSA-N
rxn:4:221773:224398,Cc1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCCC5)c(C)cc4F)cc3)n(C)c2=O)cc1,TUHBFBHFAVXLPV-UHFFFAOYSA-N
rxn:4:221775:224665,Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)n(C)c2=O)c1,YMXBAOJJGVMBHR-UHFFFAOYSA-N
rxn:4:221776:222980,CC1CN(c2ccc(-c3ccc(CN4CCNCC4)cc3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,GTIRKVHHEWRTPY-UHFFFAOYSA-N
rxn:4:221776:224662,CC1CN(c2ccc(-c3cc(F)ccc3CN3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,UMZFTCPXZTUKMQ-UHFFFAOYSA-N
rxn:4:221782:223699,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4C(F)(F)F)cc3)c(=O)n2C)c(C)c1,CRGKIWIDXWXYKK-UHFFFAOYSA-N
rxn:4:221788:222719,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)nc(C(F)(F)F)c4)cc3)c(=O)n2C)cc1,PORZRTSIOVMMEI-UHFFFAOYSA-N
rxn:4:221789:225174,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4CN4CCOCC4)cc3)n(C)c2=O)cc1,ZPMQFOFAKPCHFA-UHFFFAOYSA-N
rxn:4:221928:223482,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)ccc3OC)nnc12,VKFHFNOZLLCXNB-UHFFFAOYSA-N
rxn:4:221929:223738,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc6cc(O[Si](C)(C)C(C)(C)C)ccc6c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,MJMKFONBLOAYBU-UHFFFAOYSA-N
rxn:4:221929:224202,Cc1cc(Cl)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc1OCc1cccnc1,ZAHKCHQUUFXNOU-UHFFFAOYSA-N
rxn:4:222201:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4nnc5n(Cc6ccc(F)cc6)c6c(=O)n(C)c(=O)n(C)c6n45)cc3)c(F)cc2C)CC1,JCRKGULGGZSUJI-UHFFFAOYSA-N
rxn:4:222205:222537,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,YJSJYRMXZVVFNL-UHFFFAOYSA-N
rxn:4:222362:222556,COc1ccccc1NC(=O)c1cccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,ILFQSFZMOLUIJI-UHFFFAOYSA-N
rxn:4:222387:223578,Cn1cc(-c2cnc3nnn(CC4CN(c5ncc(-c6cnc(N7CCCCC7)nc6OCc6ccccc6)cn5)CCO4)c3n2)cn1,NPBRLRNMVQHETJ-UHFFFAOYSA-N
rxn:4:190697:227669,CCCCN1C(=O)C(=O)c2cc(-c3cc(C)c(F)c(OC)c3F)ccc21,MMWGEWWKUAVSKL-UHFFFAOYSA-N
rxn:4:207887:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2F)N(c2nccs2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BKPYUEZHBBXIPH-UHFFFAOYSA-N
rxn:4:212820:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc4c(c3)sc(=NC(=O)c3cc(-c5cccs5)nc5ccccc35)n4CCOC)c2)CC1,NLZISDIQRHJFBM-UHFFFAOYSA-N
rxn:4:212845:222423,COc1c(-c2cccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BAHUYIOUDZEIEC-UHFFFAOYSA-N
rxn:4:212846:222705,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(C6CCNCC6)cc(C(F)(F)F)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,SXNGPWJTYHRNEQ-UHFFFAOYSA-N
rxn:4:212846:223503,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5c(F)cc(OC6CCN(C(=O)OC(C)(C)C)CC6)cc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,WSHSZTALCXFWAM-UHFFFAOYSA-N
rxn:4:213015:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCC4)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YELZNAGGQLNYEP-UHFFFAOYSA-N
rxn:4:213451:223154,CCNC(=O)c1cc(-c2ccc3c(c2)C(=C2SC(=Nc4ccc(CC)cc4)N(c4ccc(CC)cc4)C2=O)C(=O)N3CC)ccc1F,MOWKGUDIBPHZQV-UHFFFAOYSA-N
rxn:4:213475:223655,COc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncccc23)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,OJNDDSPQWPNWGG-BDDSTAFWSA-N
rxn:4:214361:222433,CO[C@H]1CC[C@H](n2c([C@@H]3CCCC(=O)N3c3ccc(F)c(F)c3)nc3cc(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)ccc32)CC1,QWEORZAJZJMUBY-VKVOJFMMSA-N
rxn:4:214388:222584,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OCCCN5CCNCC5)c(F)c4)c(OC)cc12)CC3,ZGYPFFMYMJNCAY-UHFFFAOYSA-N
rxn:4:214388:226438,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cnc(C5CCCC5)cc4F)c(OC)cc12)CC3,ZRDWKPHINFLVFU-UHFFFAOYSA-N
rxn:4:215282:223570,CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)s1,CTHXAGCFRKEKBO-UHFFFAOYSA-N
rxn:4:218787:223841,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1cccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)c1,NDHFIZQDRGTQAU-UHFFFAOYSA-N
rxn:4:219036:222423,COc1c(-c2cccnc2OC2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DZCBUWAJKVNVMQ-UHFFFAOYSA-N
rxn:4:219189:223266,CNC(=O)c1ccc(F)cc1-c1ccc(OC)c(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)c1,DRONCMICFJTPMG-UHFFFAOYSA-N
rxn:4:221169:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)c4cnn(C)c4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VKHXRAPURDZAQW-UHFFFAOYSA-N
rxn:4:221263:223827,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C(F)(F)F)ccc3N3CCN(CC)CC3)cc2)n(C)c1=O,UHAMGKLQDKQBCF-UHFFFAOYSA-N
rxn:4:221524:222423,COc1c(-c2ccc3c(ccn3CC(=O)N3CCC(c4nnc5ccccn45)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IWFMTZUJQSNOJX-UHFFFAOYSA-N
rxn:4:221570:222622,CCC(C)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(OC)c4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,NZWMEAWSAIUNOG-UHFFFAOYSA-N
rxn:4:221776:224665,CC1CN(c2ccc(-c3ccc(F)cc3CN3CCN(C)CC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,MCMFURUHSFHRLT-UHFFFAOYSA-N
rxn:4:221776:224782,CC1CN(c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,JNBLMVGTTIWQNG-UHFFFAOYSA-N
rxn:4:221778:222956,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)c(C2CCCNC2)c1,ZXJNEUSAKQSQTJ-UHFFFAOYSA-N
rxn:4:221781:223058,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1C,FUZJDBAFORFQKK-UHFFFAOYSA-N
rxn:4:221781:223137,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cncc(C5CCCNC5)c4)cc3)c(=O)n2C)c1C,SNLHXAIQBKJDGW-UHFFFAOYSA-N
rxn:4:221782:223843,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)c(C(F)(F)F)c1,ZWNJRFPYWDOIEA-UHFFFAOYSA-N
rxn:4:221785:222998,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)cc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,ICKILBCIZSMQBI-UHFFFAOYSA-N
rxn:4:221786:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)c(C)c3)n(C)c2=O)cc1,KPMFBZDUOWLJGE-UHFFFAOYSA-N
rxn:4:221793:222438,CC1CN(c2ccc(-c3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)ccc3Cl)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,CUZYIXSYHHOWBY-UHFFFAOYSA-N
rxn:4:221993:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN(C)C)c(C)c(C)n34)n(C)c2=O)cc1,QVUQSOCHZUYMMI-UHFFFAOYSA-N
rxn:4:222130:223491,CCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)cc(C(F)(F)F)c4)ccc3OC)nnc12,BBQVOJQBQHDZNW-UHFFFAOYSA-N
rxn:4:222134:222628,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CCC6)nc(C6CCCNC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,WTEHSLJZALUCSJ-UHFFFAOYSA-N
rxn:4:222137:224223,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2OCc2ccc(F)cc2Cl)cc1,XQHKYJARPZVHSS-UHFFFAOYSA-N
rxn:4:222205:224155,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(C6CC6)cc(N6CCN(C)CC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,KTPIVRXGHMNJBE-UHFFFAOYSA-N
rxn:4:222206:223841,Cc1cc(F)c(-c2ccc(CN3N=C(c4ccc(F)cc4)Cn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UNAWFBVZTYSFOT-UHFFFAOYSA-N
rxn:4:222362:223602,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccnc(N7CCN(C(=O)OC(C)(C)C)CC7)c6Cl)cc6[nH]ncc56)nn4)cn3c2)CC1,XLKXBLSITCFEGK-UHFFFAOYSA-N
rxn:4:222363:222730,CCCc1cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc(C2CCNCC2)n1,UHODHQGLEBYRPZ-UHFFFAOYSA-N
rxn:4:222363:223606,Cc1cc(CN2CCN(c3c(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,OTIBTEAXNCHUMH-UHFFFAOYSA-N
rxn:4:222363:227459,Cc1cc(CN2CCN(c3c(-c4cc5c(cnn5C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PSWRTFGIWGANPI-UHFFFAOYSA-N
rxn:4:222363:229141,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZTWSXWKPCTYMCC-UHFFFAOYSA-N
rxn:4:199824:222389,CC(Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(S(=O)(=O)c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)n1,GLAJSNNKZHLHPP-UHFFFAOYSA-N
rxn:4:201146:223154,CCCCN1C(=O)C(=C2SC(=S)N(C(C)c3ccccc3)C2=O)c2cc(-c3ccc(F)c(C(=O)NCC)c3)ccc21,CHUPHIBDQWEBPV-UHFFFAOYSA-N
rxn:4:202754:222423,COc1c(-c2ccc3c(c2)CCCN3C2CCN(C(=O)OC(C)(C)C)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BYCVPFWNGRRKHH-UHFFFAOYSA-N
rxn:4:202761:223570,COc1ccc(C2C3C(=O)N(c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)C(=O)C3ON2c2ccccc2C)cc1,RVKXLXKUUDKWST-UHFFFAOYSA-N
rxn:4:213448:223828,CCN1CCN(c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccc(OC)cc6)C5)c(-c5ccccc5)c4c3)cc(C(F)(F)F)c2)CC1,GLYRZBLQDKQIKL-UHFFFAOYSA-N
rxn:4:213450:224311,Cc1nc2ccc(-c3cc(-n4ccnc4)cc(-n4ccnc4)c3)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,PUYYFYXZLIRGGG-UHFFFAOYSA-N
rxn:4:213451:222983,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(CN6CCC(O)C6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,BIZNFXWYZSZYAI-UHFFFAOYSA-N
rxn:4:213451:224949,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)c(CN6CCCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JNZFVCKRIJBOGZ-UHFFFAOYSA-N
rxn:4:213467:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cccc(Cn4c5ccc(F)cc5c5ncn(Cc6cccc(OC)c6)c(=O)c54)c3)c2)CC1,BFMYPVSECRAHOG-UHFFFAOYSA-N
rxn:4:213475:222491,COc1cc(-c2cc(NC(=O)OCc3ccccc3)ccc2F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,JFLJMQXKTIBOGQ-IQRUICDZSA-N
rxn:4:213480:222461,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4c(F)cc(F)c5sc(NC(=O)OC(C)(C)C)nc45)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,QUFYSQOFNHGJRH-JYUCMUJCSA-N
rxn:4:214141:222423,COc1cc(S(=O)(=O)n2nnc3ccccc32)c(OC)cc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,CSVLJMSNXIQSLF-UHFFFAOYSA-N
rxn:4:214330:222423,COc1c(-c2ccc(-c3noc(CN4C(=O)COc5ccc(C(C)(C)C)cc54)n3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,UQKTUXIRLDHRMN-UHFFFAOYSA-N
rxn:4:214359:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4nc(C)c(C5=NN(C(C)=O)C(c6ccc(F)cc6)C5)c(-c5ccccc5)c4c3)c(F)cc2C)CC1,GXYTVWPCKWQJGF-UHFFFAOYSA-N
rxn:4:214388:223482,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)c(OC)cc12)CC3,UAEBGMDQVPKOQS-UHFFFAOYSA-N
rxn:4:215227:222423,COc1c(-c2ccc(N3C(=O)C4ON(c5ccccc5)C(c5ccccn5)C4C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AKLRLOGGODVLPV-UHFFFAOYSA-N
rxn:4:218899:222423,COc1c(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SGZJKTUDAUSULN-UHFFFAOYSA-N
rxn:4:218951:222423,COc1cnc(OC2CCN(c3ncc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3C(F)(F)F)CC2)nc1,FLJSXUKCLXQAEP-UHFFFAOYSA-N
rxn:4:219189:223994,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,HYUVNKRECBHYKU-UHFFFAOYSA-N
rxn:4:221273:224290,Cn1c(=O)n(Cc2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,POPZPDCTMSXPNN-UHFFFAOYSA-N
rxn:4:221274:222846,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCNC3)ccc2C#N)cc1,HWLZWPRXLYQWFJ-UHFFFAOYSA-N
rxn:4:221574:225364,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N(C)C)c(C)cc4F)cc3)c(=O)n2C)cc1,NXLBQAFKOXFPTN-UHFFFAOYSA-N
rxn:4:221757:222741,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CC3)nc(C3CCCNC3)c2)cc1,QQBKPDGSXIMHMI-UHFFFAOYSA-N
rxn:4:221770:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3)n(C)c2=O)cc1,XAGAJRMELMHXFT-UHFFFAOYSA-N
rxn:4:221774:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)c(F)cc1C,QYLUZMKDCSZMLH-UHFFFAOYSA-N
rxn:4:221775:222956,Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(C)cc4C4CCCNC4)cc3)n(C)c2=O)c1,HVJGKPHTZRXLBG-UHFFFAOYSA-N
rxn:4:221793:223136,CC1CN(c2ccc(-c3ccncc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,MFBXNVYPGBDIKS-UHFFFAOYSA-N
rxn:4:221929:224815,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(-n6ccnc6)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,XXXIJWDYZPYPOS-UHFFFAOYSA-N
rxn:4:221995:225813,Cc1c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc(F)c(OC(C)C)c1F,CUKOMEAFLYAWOU-UHFFFAOYSA-N
rxn:4:222143:222462,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)cc1,ZGUBPAZJSGAAGO-UHFFFAOYSA-N
rxn:4:222250:223815,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Cl)c(CN6CCC7(CC6)OCCO7)c5)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,FPSGFVQQLOKUKL-UHFFFAOYSA-N
rxn:4:222339:223541,Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)c3)CC2)n1,UTGQEJOUENGXIP-UHFFFAOYSA-N
rxn:4:222362:224326,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1S(=O)(=O)N1CCCCC1,AOCNGAVNJYEHEI-UHFFFAOYSA-N
rxn:4:222363:224150,Cc1cc(CN2CCN(c3c(-c4cc(F)c(C)c(OCc5ccccc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NDXJYGMWZNNZSN-UHFFFAOYSA-N
rxn:4:222363:224244,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N5CCC(C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YAHIXYZFVHGCRP-UHFFFAOYSA-N
rxn:4:222363:225246,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-c5cccc(F)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,INGMMULUJDVJGH-UHFFFAOYSA-N
rxn:4:222363:226689,Cc1cc(CN2CCN(c3c(-c4ccc(-c5cncs5)nc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LKKOZKZSZKUPPF-UHFFFAOYSA-N
rxn:4:222363:228425,COc1c(Cl)cc(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,NJOLFUCQNKKGPY-UHFFFAOYSA-N
rxn:4:185248:222423,COc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc(OC)c1CN1CCCC(C(F)(F)F)C1,UHSSJEIKYDISHP-UHFFFAOYSA-N
rxn:4:185533:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)c3ccccc3Cl)c3ccc4oc(=O)sc4c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PENQBVYOMBLVNQ-UHFFFAOYSA-N
rxn:4:200034:222462,COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(-c4c(F)cc5nc(NC(=O)OC(C)(C)C)sc5c4F)ccc23)cc1,QECBNXMJYNORAS-UHFFFAOYSA-N
rxn:4:201186:223694,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(S(=O)(=O)N6CCN(CC)CC6)c(C)cc5F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,WVIGEGOGTMRFDL-UHFFFAOYSA-N
rxn:4:202795:223570,COc1cccc(C2c3c(oc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2cc(C)on2)c1OC,FUCFZLMZVQNLBN-UHFFFAOYSA-N
rxn:4:212748:225116,CCCCOc1c(F)c(C)cc(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1F,SHKUDZFWWJVTPC-UHFFFAOYSA-N
rxn:4:213445:223503,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)cc(OC7CCN(C(=O)OC(C)(C)C)CC7)cc6F)c(OC)ccc5c4)nc23)cc1OC,LSOHRZDXTCGWBO-UHFFFAOYSA-N
rxn:4:213448:224398,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cc(S(=O)(=O)N6CCCC6)c(C)cc5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,WWQSXYNGCJJIRW-UHFFFAOYSA-N
rxn:4:213451:223488,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc6cc(Oc7ccccc7)ccc6n5C(=O)OC(C)(C)C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,MFGMBTFDVGMGPA-UHFFFAOYSA-N
rxn:4:213475:222430,COc1cc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,IEGZMWPOOZCVOO-NZQBQMMGSA-N
rxn:4:213475:222462,COc1cc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,LBSUANASUOSFLK-VUPTZHIOSA-N
rxn:4:213475:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc([C@@H]4c5ccc6c(cnn6C6CCCCCO6)c5C[C@@H](C)N4CC(F)(F)F)c(OC)c3)ccc2OC)CC1,OEJHUVSIJVUBOZ-BDDSTAFWSA-N
rxn:4:214359:223992,CC(=O)N1N=C(c2c(C)nc3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3c2-c2ccccc2)CC1c1ccc(F)cc1,MOSWFOILGQFESG-UHFFFAOYSA-N
rxn:4:218747:222466,CCCCc1nc(SCc2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,BLXMEPPWBOPQKE-UHFFFAOYSA-N
rxn:4:221277:222985,Cc1nc(C2CCCNC2)ccc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(Oc4ccccc4)cc3)n(C)c2=O)cc1,BVNRUVZVSWGJTQ-UHFFFAOYSA-N
rxn:4:221277:223141,Cn1c(=O)n(Cc2ccc(-c3cncc(C4CCNCC4)c3)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,ILDYZONGIFGDJQ-UHFFFAOYSA-N
rxn:4:221497:222423,COc1c(-c2cnc(OC3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JEASGFWFXCHLQQ-UHFFFAOYSA-N
rxn:4:221757:222948,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cnc(N3CCC(O)CC3)nc2Cl)cc1,RCFHXVZKJFEOCR-UHFFFAOYSA-N
rxn:4:221773:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)cc2)c(F)cc1C,HUJIZPZTHPTSHH-UHFFFAOYSA-N
rxn:4:221782:225295,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)c(C)c1,PDXWKOQRFKVRFD-UHFFFAOYSA-N
rxn:4:221782:227308,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)ccc4CN(C)C)cc3)c(=O)n2C)c(C)c1,QNRIYJGSJZPRKY-UHFFFAOYSA-N
rxn:4:221784:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1,LLEWXTANSPBGFE-UHFFFAOYSA-N
rxn:4:221784:224665,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)n(C)c2=O)c1,RNCRVIQUGVIDAN-UHFFFAOYSA-N
rxn:4:221784:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)c1,NABPAGPQTGIJOZ-UHFFFAOYSA-N
rxn:4:221788:222721,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C(F)(F)F)c4)cc3)c(=O)n2C)cc1,QAAXWEFDMNBHOE-UHFFFAOYSA-N
rxn:4:222134:222729,CCCc1cc(-c2ccc(Cn3c4c(=O)n(C)c(=O)n(C)c4n4c(-c5ccc(OC)cc5)nnc34)cc2)cc(C2CCCNC2)n1,WDLCYCXJCQPOHE-UHFFFAOYSA-N
rxn:4:222135:222524,COc1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(O)CC2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,FEDKMJWKQUFEOO-UHFFFAOYSA-N
rxn:4:222137:224235,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2OCc2ccccc2)cc1,ZJFNWIDNGYUZAE-UHFFFAOYSA-N
rxn:4:222195:222621,CC(C)Cc1cc(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)cc(C2CCCNC2)n1,XTOBYRYFLOQSQE-UHFFFAOYSA-N
rxn:4:222250:223844,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(S(=O)(=O)N6CCCC6)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,KSBJYFBAEHIPAS-UHFFFAOYSA-N
rxn:4:222301:222423,COc1c(-c2cnc(OCC3CCCN(c4ccc5nnc(C)n5n4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VELMTRBFBCCJLC-UHFFFAOYSA-N
rxn:4:222362:222398,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1NC(=O)NC1CC1,DVCKXWGHLFLDEP-UHFFFAOYSA-N
rxn:4:222362:223790,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cncc(C7CCCN7C(=O)OC(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,VMFDKPURILIYJE-UHFFFAOYSA-N
rxn:4:222362:225047,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cnc1N1CCC(C)CC1,FFGYYOKDQOHYAT-UHFFFAOYSA-N
rxn:4:222362:228228,COc1ncc(C)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1C,GVOOJJMPWMXWRM-UHFFFAOYSA-N
rxn:4:222363:222828,Cc1cc(CN2CCN(c3c(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LYWSDJQCLTUTBV-UHFFFAOYSA-N
rxn:4:222363:223912,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(OCc2ccccc2)c1Cl,CYGRXBAURSLPHO-UHFFFAOYSA-N
rxn:4:222363:224309,Cc1cc(CN2CCN(c3c(-c4c(Cl)ccc(O[Si](C)(C)C(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LPMVDXCXOKUMFM-UHFFFAOYSA-N
rxn:4:188916:222423,COc1c(-c2cc(F)c(F)c(C(=O)N(C)OC)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JTVLPHDLBVJDBT-UHFFFAOYSA-N
rxn:4:200824:222423,COc1c(-c2ccc(C)c(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GPIAUTLAAVUQOC-UHFFFAOYSA-N
rxn:4:201043:222389,CCn1c(=NC(=O)c2cc(OC)cc(OC)c2)sc2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,HJVFNWUMAFSXAA-UHFFFAOYSA-N
rxn:4:201168:223521,COc1cc(-c2cccc(C(C)N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc2c1Oc1nc(-c3ccccc3)nc(SCc3ccccc3)c1C2,HKGFXBYZVJDPHL-UHFFFAOYSA-N
rxn:4:201189:222623,CCC(C)c1cc(-c2ccc(C3c4c(oc5cc(OC)ccc5c4=O)C(=O)N3CCN3CCOCC3)cc2)cc(C2CCNCC2)n1,LJOBOGWSMKTDQY-UHFFFAOYSA-N
rxn:4:202351:222423,COc1c(-c2ccc(C(=O)N3CCC4(CC3)OCCN4S(=O)(=O)c3ccc(F)c(C)c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KELDLTXWBNYXRM-UHFFFAOYSA-N
rxn:4:202781:223570,Cc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc1-2,RNBUJQIVHVWAFT-UHFFFAOYSA-N
rxn:4:213448:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc2nc(C)c(C3=NN(C(C)=O)C(c4ccc(OC)cc4)C3)c(-c3ccccc3)c2c1,OCWMIPPKBNGDRI-UHFFFAOYSA-N
rxn:4:213457:222423,COc1c(-c2cccc(CSc3nc4c(sc5ncccc54)c(=O)n3Cc3ccc(F)cc3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OAYFAULEQZHXII-UHFFFAOYSA-N
rxn:4:213481:222524,COC12CC(COC(=O)c3cncc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,PWRHDCBVBFWBLN-UHFFFAOYSA-N
rxn:4:214362:223539,CCn1cc(-c2nc(-c3ccc(-c4ccc(OC)c(S(=O)(=O)N5CCC6(CC5)OCCO6)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,XEQNTLSGDYHGGF-UHFFFAOYSA-N
rxn:4:214388:223760,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(OC)c(OCc5ccccc5)cc4OC)c(OC)cc12)CC3,FMYUHTIMNUTFSQ-UHFFFAOYSA-N
rxn:4:214388:227041,CCOc1cc(C)c(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)cc1C,HLSNRMTXMXEZDK-UHFFFAOYSA-N
rxn:4:219002:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)c4cccn(C)c4=O)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IHSOSVVAYWYNBZ-UHFFFAOYSA-N
rxn:4:219036:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccnc3OC3CCN(C(=O)c4sc(-n5cccc5)nc4C)CC3)c(F)cc2C)CC1,OEFWIKHEGZALGG-UHFFFAOYSA-N
rxn:4:219189:224317,COc1ccc(-c2ccc(C(=O)N3CCN(C)CC3)cc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,NJRPIIRDSOSRRW-UHFFFAOYSA-N
rxn:4:219642:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(c4nc5c(cc4C#N)CCC5)C3)c(F)cc2C)CC1,GVQYTPZISDOICJ-UHFFFAOYSA-N
rxn:4:221531:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)ccc1F,MEQYYGKJOJBYQP-UHFFFAOYSA-N
rxn:4:221538:222509,Cc1ccc(Cl)cc1NC(=O)c1cc(F)cc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)c1,UEKRERQNDRMFBZ-UHFFFAOYSA-N
rxn:4:221757:224398,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,QRWFAXBUOXWVGF-UHFFFAOYSA-N
rxn:4:221758:224667,CN1CCN(Cc2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5Cl)c(=O)n4C)cc3)ccc2Cl)CC1,BBRHPQZARLMMAQ-UHFFFAOYSA-N
rxn:4:221772:224782,CC1CN(c2ccc(-c3cc(F)c(F)c(N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,KVJHUCALZOZZRT-UHFFFAOYSA-N
rxn:4:221776:226237,CC1CN(c2ccc(-c3ccccc3OCCN(C)C)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,UFPLQARGSZKEHP-UHFFFAOYSA-N
rxn:4:221784:222822,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)n(C)c2=O)c1,NWFJIIGOGMMSGL-UHFFFAOYSA-N
rxn:4:221790:225591,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(CN4CCCC4)ccc3F)cc2)n(C)c1=O,FKTSBMBQLASCLW-UHFFFAOYSA-N
rxn:4:221793:223058,CC1CN(c2ccc(-c3cc(F)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,JMCVYVISUSVMAK-UHFFFAOYSA-N
rxn:4:221994:223641,CCc1cc2c(cc1F)cc(-c1ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)cn45)n(C)c3=O)cc1)n2C(=O)OC(C)(C)C,PNFUFPGOLVQDIV-UHFFFAOYSA-N
rxn:4:221995:224357,COc1nc2ccc(C(F)(F)F)cc2cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,PDJSCKFXDQEUHA-UHFFFAOYSA-N
rxn:4:222137:224543,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccccc2OCc2ccc(F)cc2)cc1,APTYGQRKFJLXQQ-UHFFFAOYSA-N
rxn:4:222142:224235,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2OCc2ccccc2)cc1,UYCJIZSYGOLOJV-UHFFFAOYSA-N
rxn:4:222250:222824,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCCn6ccnc6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)NC(C)C,PWVLOWZBUHJARC-UHFFFAOYSA-N
rxn:4:222305:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCN(c5ncnc6c5nnn6-c5ccc(Cl)cc5)CC4)o3)c(F)cc2C)CC1,QPWDXMVQUQBRLN-UHFFFAOYSA-N
rxn:4:222352:222538,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)cc5)c(C)nn43)c2=O)[nH]1,XFUXDBKOXOFKIA-UHFFFAOYSA-N
rxn:4:222353:224195,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6ccc(Cl)c(CN7CCN(CC)CC7)c6)cc5)c(C)nn43)c2=O)[nH]1,BMUGJCNNHVGRNL-UHFFFAOYSA-N
rxn:4:222362:222614,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)NC7CC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,PZCIYOQEMZKCFS-UHFFFAOYSA-N
rxn:4:222362:224049,CCc1cc(OCc2ccccc2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,UPCSKCSGPRIWIC-UHFFFAOYSA-N
rxn:4:222362:228395,COc1cc(F)c(F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,SKHLKAZXYZGBRA-UHFFFAOYSA-N
rxn:4:184463:222423,COC(=O)Cc1cc(C#N)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)(F)F,AVLJFJNHYITXIV-UHFFFAOYSA-N
rxn:4:185599:222423,COc1c(-c2cccc(CN(C(=O)c3oc4ccc(F)cc4c3C)C3CCS(=O)(=O)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KXJZOWRPJTWDLC-UHFFFAOYSA-N
rxn:4:185611:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(-c2c(C)oc3cc(OCCN4CCOCC4)ccc3c2=O)cc1,ITXDUIHYKPVZME-UHFFFAOYSA-N
rxn:4:187939:222423,COc1c(-c2ccc(N(C(=O)c3cc4ccccc4oc3=O)C3C=CS(=O)(=O)C3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KEDOXZUEIAVMAJ-UHFFFAOYSA-N
rxn:4:202355:222423,CCc1ccccc1N1CCN(S(=O)(=O)c2c(C)cc(C)c(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c2C)CC1,OTOXDHIBYSHMLT-UHFFFAOYSA-N
rxn:4:203512:222423,COc1c(-c2cnc(OCC3CCCCO3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CQXIIYZLQAKIID-UHFFFAOYSA-N
rxn:4:212742:223760,COc1cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3C)c(N3CCCC3)c2)c(OC)cc1OCc1ccccc1,USMTUCJZBNZSDJ-UHFFFAOYSA-N
rxn:4:212787:222423,COCCn1c(=NC(=O)c2ccccc2-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)sc2cc(S(N)(=O)=O)ccc21,FMCQOGGRMPSDDS-UHFFFAOYSA-N
rxn:4:213448:224667,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(Cl)c(CN6CCN(C)CC6)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,WMNMQYMCGFJDFJ-UHFFFAOYSA-N
rxn:4:213475:223724,CCCC(C)Oc1ccc(-c2ccc(-c3ccc([C@@H]4c5ccc6c(cnn6C6CCCCCO6)c5C[C@@H](C)N4CC(F)(F)F)c(OC)c3)cc2)cc1,VOZGZGBZBJOACL-HEJLVAGFSA-N
rxn:4:213480:222601,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cccc5sc(NC(=O)OC(C)(C)C)nc45)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,XFTXALPUWOTEKB-XBPXGFTOSA-N
rxn:4:214362:222828,CCn1cc(-c2nc(-c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)NC4CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,ZMWYIGQYZSTAQH-UHFFFAOYSA-N
rxn:4:214362:223141,CCn1cc(-c2nc(-c3ccc(-c4cncc(C5CCNCC5)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,JUNUBNSKVYVLJU-UHFFFAOYSA-N
rxn:4:221277:223541,Cn1c(=O)n(Cc2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,MKQKWPFSTKVLKT-UHFFFAOYSA-N
rxn:4:221567:224782,CN1CCN(c2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCc5ccccc5)c(=O)n4C)cc3)cc(F)c2F)CC1,HZNKIZHVUOSHHT-UHFFFAOYSA-N
rxn:4:221572:224664,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(CN4CCN(C)CC4)c3)cc2)n(C)c1=O,OXEYFRBLMHYHMM-UHFFFAOYSA-N
rxn:4:221757:223658,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)c3ccccc23)cc1,AIYQBCHMURHWSH-UHFFFAOYSA-N
rxn:4:221784:226131,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccccc4CN4CCCC4)cc3)n(C)c2=O)c1,ZPLRKBQRHKVJDB-UHFFFAOYSA-N
rxn:4:221785:222997,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)n(C)c2=O)c1,RRQFLYRHNBBEPK-UHFFFAOYSA-N
rxn:4:221788:223141,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cncc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,FHNDLRVRPNPYPO-UHFFFAOYSA-N
rxn:4:221789:222889,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)cc(CN5CCNCC5)c4)cc3)n(C)c2=O)cc1,AEOWFCNVGJTMRM-UHFFFAOYSA-N
rxn:4:221791:223001,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCNC3)ccc2F)cc1,KCDBOASQANRWDX-UHFFFAOYSA-N
rxn:4:221928:224668,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(F)cc(N5CCN(CC)CC5)c4)ccc3OC)nnc12,AQNUYYXUHMDQEM-UHFFFAOYSA-N
rxn:4:221986:224298,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)CC1,ABEBYZFCDCHYQX-UHFFFAOYSA-N
rxn:4:221995:226038,COc1cc(C(F)(F)F)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,MNEBEWULOGXGOS-UHFFFAOYSA-N
rxn:4:222137:224239,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)c(F)c2OCc2ccccc2)cc1,UJVCMYFKDHLNKX-UHFFFAOYSA-N
rxn:4:222137:224241,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(COc3cccc(F)c3F)cc2)cc1,AHLXBBBVDXLPJM-UHFFFAOYSA-N
rxn:4:222137:224515,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)c(OCc3ccccc3)c2)cc1,YEMSYMFNOQWJGA-UHFFFAOYSA-N
rxn:4:222137:224522,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)ccc2F)cc1,HUNPRNLTASVXHF-UHFFFAOYSA-N
rxn:4:222137:224639,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cnc(F)c(OCc3ccccc3)c2)cc1,NBESLBOWRFRBRP-UHFFFAOYSA-N
rxn:4:222137:226592,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2OC(C)C)cc1,HSDGOVGOCQIUSP-UHFFFAOYSA-N
rxn:4:222142:223842,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)cc2S(=O)(=O)N2CCC(C)CC2)cc1,LNDDWUDEUFHMSN-UHFFFAOYSA-N
rxn:4:222144:225249,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cncc(-c3cc(F)cc(F)c3)c2)cc1,ROLNAJYWKATNAK-UHFFFAOYSA-N
rxn:4:222362:223682,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6c(C(F)(F)F)ccc7c6cnn7C6CCCCO6)cc6[nH]ncc56)nn4)cn3c2)CC1,CDMJQMVDWXHGAA-UHFFFAOYSA-N
rxn:4:222363:225000,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCCCC5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IOPCYBLPQQDXDD-UHFFFAOYSA-N
rxn:4:199982:222423,CCCCCN1C(=O)C(=C2SC(=S)N(CCC)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,CJMMUZZHSNUISH-UHFFFAOYSA-N
rxn:4:201189:223595,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)cc1,HNLGBFCBHUVCMP-UHFFFAOYSA-N
rxn:4:204960:223570,CCOc1cc2c3c(c1)-c1c(sn(-c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c1=S)C(C)(C)N3C(=O)C2=O,IPNQLEJBCCIHRB-UHFFFAOYSA-N
rxn:4:207829:222423,COc1c(-c2ccc(N3C(=O)N(c4ccc(F)cc4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LAAGEGWEGUCRKV-UHFFFAOYSA-N
rxn:4:213451:222743,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C(C)N6CCC(O)CC6)cc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GDFGDSCLEKCKFT-UHFFFAOYSA-N
rxn:4:213451:224979,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(-n6ccnc6)cc5C5CC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HVAPVAMBTIRYGM-UHFFFAOYSA-N
rxn:4:213464:222423,COc1cccc(-n2c(SCc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)nc3c([nH]c4ccccc43)c2=O)c1,CZAAMMMPVPJJNL-UHFFFAOYSA-N
rxn:4:213480:223749,COc1ccc(Cn2cnc3cc(-c4cncc(C(=O)OC[C@H]5CN(C)[C@@H]6Cc7c[nH]c8cccc(c78)[C@@]6(OC)C5)c4)ccc32)cc1,WIERYGUSNNYLGU-BCEMCYDASA-N
rxn:4:214362:223095,CCn1cc(-c2nc(-c3ccc(-c4cccc(NC(C)=O)c4[N+](=O)[O-])cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,YCTHUPXHEKRUDG-UHFFFAOYSA-N
rxn:4:214362:223136,CCn1cc(-c2nc(-c3ccc(-c4ccncc4C4CCCNC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,VYYOSVOZZPBPSN-UHFFFAOYSA-N
rxn:4:214362:223527,CCn1cc(-c2nc(-c3ccc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,PXLPVEZVTPUJAF-UHFFFAOYSA-N
rxn:4:214362:223540,CCn1cc(-c2nc(-c3ccc(-c4cc(S(=O)(=O)N5CCC6(CC5)OCCO6)ccc4OC)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,BUHBNBLKZVDJKJ-UHFFFAOYSA-N
rxn:4:214362:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(-c4csc(-c5cn(CC)c6cc(N7CCCCCC7)c(F)cc6c5=O)n4)cc3)c2)CC1,AQSZZLZMCUYMGV-UHFFFAOYSA-N
rxn:4:214385:222538,COc1cc2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCCC7)nc(C7CCNCC7)c6)cccc5c4C3)n(C)c2cc1OC,GNBIXYFMOVADFJ-UHFFFAOYSA-N
rxn:4:214388:222388,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cccc(NC(=O)Nc5ccc([N+](=O)[O-])cc5)c4)c(OC)cc12)CC3,WKCPIYCTLONRGX-UHFFFAOYSA-N
rxn:4:214388:224195,CCN1CCN(Cc2cc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)ccc2Cl)CC1,XUQFIHHKEICVTL-UHFFFAOYSA-N
rxn:4:219100:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(CCC(C)C)c(=O)n2C)n1CC(C)=O,OYUWHQCPNCZRID-UHFFFAOYSA-N
rxn:4:219189:222856,COc1ccc(C2CCNCC2)cc1-c1ccc(OC)c(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)c1,FTDRHNNXOXXTLZ-UHFFFAOYSA-N
rxn:4:220169:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1ccc2c(c1)OCCO2,ZPFKJQJLNBJTIX-UHFFFAOYSA-N
rxn:4:220261:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(=O)c5c(nc6oc(-c7ccc(F)cc7)cn65)n(C)c4=O)cc3)c(F)ncc21,NQLCGZKIQZXOMT-UHFFFAOYSA-N
rxn:4:221263:223570,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)n(C)c1=O,CVIQRIFAAFXVBH-UHFFFAOYSA-N
rxn:4:221757:224866,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccccc2OCc2ccccc2)cc1,BGENLFFAHMSECU-UHFFFAOYSA-N
rxn:4:221757:227669,COc1c(F)c(C)cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)c1F,WBAFGXHIOPYBMA-UHFFFAOYSA-N
rxn:4:221778:224015,Cc1cc(F)c(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCOCC1,SVDMYDDWRXYJJX-UHFFFAOYSA-N
rxn:4:221781:222538,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1C,BPPYXFUUDGINGF-UHFFFAOYSA-N
rxn:4:221782:222886,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N5CCNCC5)cc4C#N)cc3)c(=O)n2C)c(C)c1,PWYLQNRLVLDHSJ-UHFFFAOYSA-N
rxn:4:221787:223008,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4F)cc3)c(=O)n2C)c1,NXRGNRMESXQNNZ-UHFFFAOYSA-N
rxn:4:221794:223106,O=c1cc(CSc2nc3ccc(-c4cnc(N5CCC(O)C5)nc4Cl)cc3c3nc4ccccc4n23)nc2ccc(Cl)cn12,WXCNSHSBTNSBHA-UHFFFAOYSA-N
rxn:4:221995:222518,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(F)c6sc(NC(=O)OC(C)(C)C)nc56)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,RWUDOAFPWZXQMT-UHFFFAOYSA-N
rxn:4:222137:224219,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ccc(OCc3ccccc3)c2Cl)cc1,KDGICUDVESIJOH-UHFFFAOYSA-N
rxn:4:222137:224524,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)ccc2Cl)cc1,ADFJQLRPUGQSQB-UHFFFAOYSA-N
rxn:4:222137:224562,COc1cc(Oc2ccccc2)ccc1-c1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCOCC5)c(=O)n(C)c4nc23)cc1,ZHXBYPFQCWNFMF-UHFFFAOYSA-N
rxn:4:222142:224234,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)c(F)cc2F)cc1,MWUVQZOIHGPNCA-UHFFFAOYSA-N
rxn:4:222362:224066,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(-c7ccncc7)cc(C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GUZMDAIVDUXFPX-UHFFFAOYSA-N
rxn:4:222362:224586,CC1CCN(Cc2ccc(F)cc2-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)CC1,IEFQOINADKGTQJ-UHFFFAOYSA-N
rxn:4:222362:226135,Cc1cc(C#N)c(C2CC2)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LLMYUJODHPTTSX-UHFFFAOYSA-N
rxn:4:222363:224590,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCC(C)CC5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KNMMDCOUCMPKAP-UHFFFAOYSA-N
rxn:4:185485:222423,COc1c(-c2ccccc2Oc2c(C)oc3cc(OCC#N)ccc3c2=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BXLKUEQUTHGPNZ-UHFFFAOYSA-N
rxn:4:212748:223707,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,OMKHBBJLDQHNDR-UHFFFAOYSA-N
rxn:4:213198:222423,CCn1cc(S(=O)(=O)N2CCSC2c2ccc(OC)c(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c2)nc1C,RJIXCZRGTZPDMQ-UHFFFAOYSA-N
rxn:4:213405:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1,OHPUZKBMYGNSCR-UHFFFAOYSA-N
rxn:4:213448:225122,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cncc(O[Si](C)(C)C(C)(C)C)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,XVRQXGOSBYLRHI-UHFFFAOYSA-N
rxn:4:213468:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c5ccc(F)cc5c5ncn(Cc6cccc(OC)c6)c(=O)c54)cc3)ccc2OC)CC1,SYNWIXQOKNKVHD-UHFFFAOYSA-N
rxn:4:213480:223818,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4c(F)cc(F)c5c4ccn5C(=O)OC(C)(C)C)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,UZBLDCPQBOJQRZ-IKIJVCGNSA-N
rxn:4:213968:222423,COc1c(-c2cnc(OC3CCN(S(=O)(=O)c4cc(C)ccc4C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IKINNKNULJFLQA-UHFFFAOYSA-N
rxn:4:214308:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc4c(c3)sc(=NC(=O)c3ccc(S(=O)(=O)N5CCCC5)cc3)n4C)c(F)ncc21,LVNAWNBJYUIDTF-UHFFFAOYSA-N
rxn:4:214338:223835,COc1ccc(CN2C(=O)CCC(n3c(=O)n(C)c4c(-c5cc(S(=O)(=O)N6CCC(C)CC6)c(C)cc5F)cccc43)C2=O)cc1,MTUFJHVSQIFZCV-UHFFFAOYSA-N
rxn:4:219191:222423,COc1ccc(C2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)c3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3n2)cc1,YNYMLTGQHMJDFJ-UHFFFAOYSA-N
rxn:4:220956:222423,COc1c(-c2ccc3c(c2)C(c2ccccc2Cl)=NCc2nnc(C)n2-3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HNWUTSWXBFACPT-UHFFFAOYSA-N
rxn:4:221121:223474,CN1CCN(C(=O)CN2CCN(C(=O)Cn3ccc4cc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)ccc43)CC2)CC1,NDBOUAQARUPQOF-UHFFFAOYSA-N
rxn:4:221547:222423,COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,YBKMRHNIKXOLCE-UHFFFAOYSA-N
rxn:4:221568:224782,CN1CCN(c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6Cc5ccccc5)n(C)c4=O)cc3)cc(F)c2F)CC1,SKRWLYGWZVSDMW-UHFFFAOYSA-N
rxn:4:221570:222630,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,JKKVMTRTXYBSPN-UHFFFAOYSA-N
rxn:4:221572:224667,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)c(CN4CCN(C)CC4)c3)cc2)n(C)c1=O,XQLKFKSDZPGYEI-UHFFFAOYSA-N
rxn:4:221757:229028,Cc1cc(Cl)ccc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1,SRLVDQWRKVRUOM-UHFFFAOYSA-N
rxn:4:221758:224663,CN1CCN(Cc2ccc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5Cl)c(=O)n4C)cc3)cc2F)CC1,NCWYHDUGOFAAAM-UHFFFAOYSA-N
rxn:4:221766:224015,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)c(=O)n2C)cc1,DMVCSYFCPLOBIH-UHFFFAOYSA-N
rxn:4:221776:224666,CC1CN(c2ccc(-c3ccc(F)c(CN4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,HAGIURULYPXRJJ-UHFFFAOYSA-N
rxn:4:221782:222924,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C)c(S(=O)(=O)NC(C)C)c4)cc3)c(=O)n2C)c(C)c1,UEECZFZRLCRKIC-UHFFFAOYSA-N
rxn:4:221790:223003,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)c(C4CCNCC4)c3)cc2)n(C)c1=O,NUGKPWCEDMBFJN-UHFFFAOYSA-N
rxn:4:221929:224200,Cc1cc(Cl)c(OCc2cccnc2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,YFHISHDLIDUKPO-UHFFFAOYSA-N
rxn:4:221986:224296,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)CC1,MWNNLIDIIBZVGI-UHFFFAOYSA-N
rxn:4:221994:224007,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(OC(F)(F)F)cc(OCC(C)C)c5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,CKDNIHBNKCKSCV-UHFFFAOYSA-N
rxn:4:221995:223977,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(C(F)(F)F)ccc5C(=O)OC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,GKXFBLMFQLMWMY-UHFFFAOYSA-N
rxn:4:222137:223908,COc1ccc(COc2cc(Cl)ccc2-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)cc1,SMCSQZFTTHKIJK-UHFFFAOYSA-N
rxn:4:222137:223962,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ccc(OCc3ccccc3F)c2F)cc1,UJXZGJZTBSRDSS-UHFFFAOYSA-N
rxn:4:222261:223839,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1cc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)ccc1F,CGUHGEYVBBYWCC-UHFFFAOYSA-N
rxn:4:222352:222623,CCC(C)c1cc(-c2ccc(-c3c(C)nn4c3ncc3c(=O)n(-c5nnc(SC)[nH]5)ccc34)cc2)cc(C2CCNCC2)n1,FQYYYYDVKKWOKF-UHFFFAOYSA-N
rxn:4:222352:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-c4c(C)nn5c4ncc4c(=O)n(-c6nnc(SC)[nH]6)ccc45)cc3)c(F)cc2C)CC1,HWLUCJXUGFLOCW-UHFFFAOYSA-N
rxn:4:222362:224616,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6OCCN6CCOCC6)cc6[nH]ncc56)nn4)cn3c2)CC1,PQZYADYXYBLCBN-UHFFFAOYSA-N
rxn:4:222363:223008,Cc1cc(CN2CCN(c3c(-c4cc(C5CCNCC5)ccc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LZUZSOSOTXGZTG-UHFFFAOYSA-N
rxn:4:222363:223539,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2,WBYSYSZATYLHGX-UHFFFAOYSA-N
rxn:4:222363:224657,Cc1cc(CN2CCN(c3c(-c4cccc(O[Si](C)(C)C(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RWSHSYLZEQXBLS-UHFFFAOYSA-N
rxn:4:199983:222537,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc32)SC1=S,YORGMEVVZYWLJF-UHFFFAOYSA-N
rxn:4:202534:222423,COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1F,IYECXSFJXUYALO-UHFFFAOYSA-N
rxn:4:204874:222423,COc1c(-c2ccc(C3OC4(C(=O)c5ccccc5C4=O)C4C(=O)N(c5cccc([N+](=O)[O-])c5)C(=O)C34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZZZWNRRNRPTMIM-UHFFFAOYSA-N
rxn:4:204939:223557,COc1cccc(C2c3c(oc4ccc(-c5c(F)ccc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1,MAWOXKALCAMGOC-UHFFFAOYSA-N
rxn:4:207929:223845,Cc1cccc(N2C(=O)c3oc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4c(=O)c3C2c2cccc(Cl)c2)n1,DYTWFDDFVDDPFD-UHFFFAOYSA-N
rxn:4:212746:222423,COc1c(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCOCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YSRUKIQCGXEQPO-UHFFFAOYSA-N
rxn:4:212751:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)c1,VXHOZXWXPNEZJA-UHFFFAOYSA-N
rxn:4:213445:224195,CCN1CCN(Cc2cc(-c3c(OC)ccc4cc(-c5nc6c(-c7ccc(OC)c(OC)c7)cnn6cc5C)ccc34)ccc2Cl)CC1,QBEIUJIWJQXHGS-UHFFFAOYSA-N
rxn:4:213447:222890,CCC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)CC1c1ccc(-c2cc(OC)nc(C3CCCNC3)c2)cc1,OZXBYSCOCDHNOL-UHFFFAOYSA-N
rxn:4:213448:223054,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(C(C)N6CCC(O)C6)s5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,QMGQTWZATDEBNJ-UHFFFAOYSA-N
rxn:4:213448:223699,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C(F)(F)F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,LMDSQYCNCOFBPJ-UHFFFAOYSA-N
rxn:4:213451:222826,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,QAJJJCJNZQYQSR-UHFFFAOYSA-N
rxn:4:214388:222521,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c4)c(OC)cc12)CC3,XVHASRQOALQCFB-UHFFFAOYSA-N
rxn:4:214388:223519,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c(OC)cc12)CC3,RXGHWLVVAXHGQM-UHFFFAOYSA-N
rxn:4:214388:226202,CCc1nn(C)c2cc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)ccc12,SWUUPDUYEQWMAR-UHFFFAOYSA-N
rxn:4:218785:222822,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(S(=O)(=O)NC4CC4)c(C)cc3F)cc1-2,PQGKGRZDVLNLIO-UHFFFAOYSA-N
rxn:4:221531:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cc(-c2noc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)n2)ccc1F,NHCVVMUDNGNDHC-UHFFFAOYSA-N
rxn:4:221747:223992,Cc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,AVJJRXWKHAVYKG-UHFFFAOYSA-N
rxn:4:221761:224667,CN1CCN(Cc2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5c(F)cccc5Cl)c(=O)n4C)cc3)ccc2Cl)CC1,XAVFOBXWHGNPQM-UHFFFAOYSA-N
rxn:4:221772:222956,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4)c(=O)n3C)cc2)c(C2CCCNC2)c1,DLCVEPGYJSOZQZ-UHFFFAOYSA-N
rxn:4:221774:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)c(F)cc1C,AURYLOHTIGDXIB-UHFFFAOYSA-N
rxn:4:221777:222996,CC1CN(c2ccc(-c3ccc(F)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C1,XTWFMIOUHNGCFL-UHFFFAOYSA-N
rxn:4:221783:223065,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(N5CCNCC5)cc4F)cc3)c(=O)n2C)c1,KSDWNSXFTNMGHY-UHFFFAOYSA-N
rxn:4:221848:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-n3ccc4c(nnc5c(-c6ccc(F)cc6)c(C)nn54)c3=O)cc2)CC1,BIAKQFREFYSBRQ-UHFFFAOYSA-N
rxn:4:221994:223474,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,FFNMZDKCCPHTCJ-UHFFFAOYSA-N
rxn:4:222110:223827,CC#CCn1c(-c2cc(C(F)(F)F)ccc2N2CCN(CC)CC2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,MEMRRASGOSZPLZ-UHFFFAOYSA-N
rxn:4:222135:222523,COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,YAUHAYRSNIHUBL-UHFFFAOYSA-N
rxn:4:222137:223925,Cc1cc(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCOCC6)c(=O)n(C)c5nc34)cc2)c(F)c(OCc2ccccc2)c1F,NHLFHVXHNAGSEU-UHFFFAOYSA-N
rxn:4:222137:224514,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)cc(OCc3ccccc3)c2)cc1,YRFJRNDLCMEEHO-UHFFFAOYSA-N
rxn:4:222138:222493,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)cc(NC(=O)OCc3ccccc3)c2)cc1,SBHUANDLGAYNAE-UHFFFAOYSA-N
rxn:4:222250:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCCn6ccnc6)c(C)cn45)n(C)c3=O)cc2)CC1,TVZDCCRWPNGOCG-UHFFFAOYSA-N
rxn:4:222362:222758,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1NC(=O)OC(C)(C)C,FQSSIVJXHBQZEF-UHFFFAOYSA-N
rxn:4:222362:224048,CCCOc1ccc(-c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,ZLGIDZBRNYQLSB-UHFFFAOYSA-N
rxn:4:222362:224281,COc1cc(OC)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(OC)nc2c1,OGPTYWVCCSCMGP-UHFFFAOYSA-N
rxn:4:222362:224301,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(O[Si](C)(C)C(C)(C)C)cc(F)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,DPWAQJOBFGFRES-UHFFFAOYSA-N
rxn:4:222362:225280,COc1nc(OC)c([Si](C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,YMTOPPMACIFFIU-UHFFFAOYSA-N
rxn:4:199983:225806,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cnc(OC5CCCC5)cc4F)cc32)SC1=S,GZCXJLAYBVNHOH-UHFFFAOYSA-N
rxn:4:202276:222423,COc1c(-c2ccc(CN3CCCC(C(F)(F)F)C3)c(N3CCCC3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GUJLGUBJJOLGIU-UHFFFAOYSA-N
rxn:4:202800:222448,CC#Cc1cc2c(c(F)c1-c1cc(C(=O)NCc3ccccc3)cc([N+](=O)[O-])c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,DWPGHYOTWDQOHM-MUUNZHRXSA-N
rxn:4:212735:222423,COc1c(-c2ccc(Oc3ccc(S(=O)(=O)N(C)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CGSWKKMBFHVDFZ-UHFFFAOYSA-N
rxn:4:213451:224089,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCC(C)CC6)cc5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RXRSPEVEKSLEJL-UHFFFAOYSA-N
rxn:4:213474:223690,COC(=O)c1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cn1S(=O)(=O)c1ccc(C)cc1,DCGVZVMIMUEEAO-UMSFTDKQSA-N
rxn:4:219141:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1CCC(C)C,GLQWUFYXKPOVNK-UHFFFAOYSA-N
rxn:4:219189:223536,COc1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,OQGPKQZOBMZCNW-UHFFFAOYSA-N
rxn:4:221252:223694,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)cc1,UMUIYMARXSJWEY-UHFFFAOYSA-N
rxn:4:221274:222805,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)c(N3CCC(O)CC3)c2)cc1,CXSRWECRGBULON-UHFFFAOYSA-N
rxn:4:221535:223557,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(Cn4c(CN5CCOCC5)nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)ccc21,NFQKMGCITVSLAF-UHFFFAOYSA-N
rxn:4:221566:222702,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1,OAUKPGAYDZDMTK-UHFFFAOYSA-N
rxn:4:221571:224398,Cc1cc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCCC1,QKGVYAYGWLDENX-UHFFFAOYSA-N
rxn:4:221747:223997,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc(C)c1S(=O)(=O)N1CCOCC1,NRMPWWDOJGDLKF-UHFFFAOYSA-N
rxn:4:221752:222423,CCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)n(C)c1=O,AEHPGETWIWNMTF-UHFFFAOYSA-N
rxn:4:221761:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5c(F)cccc5Cl)c(=O)n4C)cc3)c2)CC1,VIALTXPCEZXCKN-UHFFFAOYSA-N
rxn:4:221764:223993,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(C6CCCC6)c(C)cn45)n(C)c3=O)cc2)ccc1S(=O)(=O)N1CCN(C)CC1,XJVFFAZDRSNEHK-UHFFFAOYSA-N
rxn:4:221769:223105,CNS(=O)(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4cc(C)cc(C)c4)n(C)c3=O)cc2)c(F)cc1C,JGVXNNOZNWHYNH-UHFFFAOYSA-N
rxn:4:221778:222848,CCc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc(C2CCCNC2)n1,HQSWUEWBAVIHBI-UHFFFAOYSA-N
rxn:4:221778:224950,COc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)c(CN2CCCC2)c1,RJZMYAARJGBCND-UHFFFAOYSA-N
rxn:4:221778:225212,CC1CN(c2ccc(-c3cc(F)cc(N4CCN(C)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,QEGKVMQNKCZZMK-UHFFFAOYSA-N
rxn:4:221781:222537,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1C,AFDDHTFZRQLDJW-UHFFFAOYSA-N
rxn:4:221784:223000,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4ccc(C5CCCNC5)c(F)c4)cc3)n(C)c2=O)c1,KWLPGRLLYGOQEJ-UHFFFAOYSA-N
rxn:4:221785:222700,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3)n(C)c2=O)c1,FNRQNEMVEKXGIN-UHFFFAOYSA-N
rxn:4:221786:222890,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)c(C)c4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,FEEDNYQXNFBURS-UHFFFAOYSA-N
rxn:4:221929:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,IBUGKXWZCISYAI-UHFFFAOYSA-N
rxn:4:221988:224194,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(CN5CCN(CC)CC5)c(Cl)c4)ccc3OC)nnc12,VFUBGEWRUJKMJR-UHFFFAOYSA-N
rxn:4:221990:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(OC)c(-c2nnc3n(CCC(C)C)c4c(=O)n(C)c(=O)n(C)c4n23)c1,ZDNULIVPSJCLCK-UHFFFAOYSA-N
rxn:4:221995:223605,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(Oc6ccc(C(F)(F)F)cc6[N+](=O)[O-])cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,AAGMDSRLZKWRRE-UHFFFAOYSA-N
rxn:4:222137:222438,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccc2Cl)cc1,HMSOHRWNWMVSHO-UHFFFAOYSA-N
rxn:4:222142:224015,Cc1cc(F)c(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCOCC1,SGLQRZUPTDOGMS-UHFFFAOYSA-N
rxn:4:222143:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)c(F)cc1C,RBHAJKJHGFVMPO-UHFFFAOYSA-N
rxn:4:222362:223604,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(Oc7ccc(C(F)(F)F)cc7[N+](=O)[O-])c6)cc6[nH]ncc56)nn4)cn3c2)CC1,GUNOKHLMMHYTLW-UHFFFAOYSA-N
rxn:4:222362:224150,Cc1c(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1OCc1ccccc1,OYBLYRHVNGPDFI-UHFFFAOYSA-N
rxn:4:222362:224368,CN(C(=O)OC(C)(C)C)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cnc1Cl,BBTNQZREIMDULF-UHFFFAOYSA-N
rxn:4:222362:224581,Cc1ccn(-c2ccc(C3CC3)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)n1,VCIODLCIPRWYDQ-UHFFFAOYSA-N
rxn:4:222363:224117,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4OCCc4ccccc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NTAMHGZAMGGMHA-UHFFFAOYSA-N
rxn:4:222363:225186,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(CN5CCSCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BAFUZUFDTAOXLC-UHFFFAOYSA-N
rxn:4:188021:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(SC)cc2)N(CC2CCCO2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CDWOPWHAQYMMJF-UHFFFAOYSA-N
rxn:4:188026:222622,CCC(C)c1cc(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(C(C)C)cc2)N(CC2CCCO2)C4=O)cc(C2CCCNC2)n1,KIENTKUOUBOZSN-UHFFFAOYSA-N
rxn:4:199983:227381,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cnc(C5CCCC5)nc4)cc32)SC1=S,QKEZVGWLUNLKFH-UHFFFAOYSA-N
rxn:4:200052:222423,CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)c1,ZMLWRIVGFVCZQU-UHFFFAOYSA-N
rxn:4:201117:223570,Cc1ccc(S(=O)(=O)n2c(C)nc3c(OCc4ccccc4)cc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc32)cc1,SVXBUNDEDFDFNP-UHFFFAOYSA-N
rxn:4:204939:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1,YESXLNLVEKIFEY-UHFFFAOYSA-N
rxn:4:204956:223536,Cc1cc(N2C(=O)c3oc4ccc(-c5cc(F)c(F)c(N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)no1,JQNPSGJLFPLSCA-UHFFFAOYSA-N
rxn:4:204958:223520,Cc1csc(N2C(=O)c3oc4ccc(-c5ccc(C(C)N6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc4c(=O)c3C2c2ccc(C(C)(C)C)cc2)n1,AZMCNENWVVWOEV-UHFFFAOYSA-N
rxn:4:206180:222423,COc1c(-c2cnc(OC3CCSCC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YDQPKADOLKKXIW-UHFFFAOYSA-N
rxn:4:212751:223551,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,VZGSCKZDMMANRU-UHFFFAOYSA-N
rxn:4:212751:225154,COc1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(-c2cnn(C)c2)c1,RAWXEQLKJBACOF-UHFFFAOYSA-N
rxn:4:212780:222423,COC(=O)Cn1c(=NC(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)sc2cc(S(N)(=O)=O)ccc21,VLGKHESQJRNQQZ-UHFFFAOYSA-N
rxn:4:213029:222423,COc1c(-c2ccc(-n3nnc(C(=O)OCc4cccc(F)c4)c3C)cc2C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KUXSJQFNUPKECE-UHFFFAOYSA-N
rxn:4:213438:222437,COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,ZXAJBASOYZDOJR-UHFFFAOYSA-N
rxn:4:213448:224307,COc1ccc(C2CC(c3c(C)nc4ccc(-c5c(F)cc(O[Si](C)(C)C(C)(C)C)cc5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,AKIKVYRLYMNVJX-UHFFFAOYSA-N
rxn:4:213480:223760,COc1cc(-c2cncc(C(=O)OC[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(c56)[C@@]4(OC)C3)c2)c(OC)cc1OCc1ccccc1,WWXQLWFKGRBELE-BCEMCYDASA-N
rxn:4:214236:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(-c2ccc(F)cc2)nc2n1CCN(C(=O)OC(C)(C)C)C2,GNOBQQFWOBYCEC-UHFFFAOYSA-N
rxn:4:218761:222423,COc1c(-c2ccc(-c3noc(CSc4nc5ccccc5c(=O)n4Cc4ccc(F)cc4)n3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LFKJMKNOQWEILR-UHFFFAOYSA-N
rxn:4:218785:223841,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(S(=O)(=O)N4CCN(C)CC4)c(C)cc3F)cc1-2,GPBQQSUWPOJLJW-UHFFFAOYSA-N
rxn:4:219098:222846,N#Cc1ccc(C2CCCNC2)cc1-c1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3C3CC3)n2)cc1,NIZXYWAJUNFVNT-UHFFFAOYSA-N
rxn:4:219569:222423,COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1[N+](=O)[O-],QOGZKUOOFKRWCE-UHFFFAOYSA-N
rxn:4:219622:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1nc2c(c(=O)n(Cc3c(F)cccc3Cl)c(=O)n2C)n1CC(C)=O,ALMLFJJCLVJNJS-UHFFFAOYSA-N
rxn:4:221274:222423,COc1c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KTCURLAICVXFCP-UHFFFAOYSA-N
rxn:4:221760:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5F)c(=O)n4C)cc3)c2)CC1,WSTNUMFYRYLYLS-UHFFFAOYSA-N
rxn:4:221764:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(C6CCCC6)c(C)cn45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,YWGJYRLTONLUFA-UHFFFAOYSA-N
rxn:4:221765:222956,Cc1ccc(Cn2c(=O)c3c(nc4n(-c5ccc(-c6ccc(C)cc6C6CCCNC6)cc5)c(C)cn34)n(C)c2=O)cc1,IPUHPICHPDPWJZ-UHFFFAOYSA-N
rxn:4:221770:223992,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C)c(S(=O)(=O)N5CCN(C)CC5)c4)cc3)c(=O)n2C)c1,BXVQPZTZDHEBNX-UHFFFAOYSA-N
rxn:4:221777:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)cc2)CC1,JCOPBLGMYKYDFQ-UHFFFAOYSA-N
rxn:4:221787:222718,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCNCC5)ccc4C)cc3)c(=O)n2C)c1,UCSUFCDAXWDIBL-UHFFFAOYSA-N
rxn:4:221787:222848,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cc(C)cc(C)c4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,AISMKYZPTOUGIX-UHFFFAOYSA-N
rxn:4:221790:225186,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)c(CN4CCSCC4)c3)cc2)n(C)c1=O,FMQLHGPUKPUTMN-UHFFFAOYSA-N
rxn:4:221929:223499,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Cl)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,JOESRGAUQGQYGJ-UHFFFAOYSA-N
rxn:4:221929:224140,Cc1cc(OCc2ccc(Cl)cc2)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,MTCUJJTWBFIVPV-UHFFFAOYSA-N
rxn:4:221994:222824,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)cn45)n(C)c3=O)cc2)cc1S(=O)(=O)NC(C)C,YNABGKAACVVPIM-UHFFFAOYSA-N
rxn:4:221994:223995,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,CTDYPGQONOQROS-UHFFFAOYSA-N
rxn:4:222143:222685,Cc1cc(F)c(NC(=O)OC(C)(C)C)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1,VKRUWFXZDDLZPE-UHFFFAOYSA-N
rxn:4:222362:222486,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cncc(-c7cncc(C8CCCCN8)c7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,WARFYFBDHPSOME-UHFFFAOYSA-N
rxn:4:222363:222811,Cc1cc(CN2CCN(c3c(-c4cc(Cl)nc(NC(=O)OC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XZWZWBQCHQGLMN-UHFFFAOYSA-N
rxn:4:184403:222423,COC(=O)Cc1cc(C#N)c(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1C(F)F,HOJZXYJPBPAODO-UHFFFAOYSA-N
rxn:4:199983:224165,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4c(C)ccc5c4cnn5C4CCCCO4)cc32)SC1=S,GRYUBLOJFQJLPD-UHFFFAOYSA-N
rxn:4:201186:223814,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(CN6CCC7(CC6)OCCO7)cc5F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,ZNBBAQXSZANGJJ-UHFFFAOYSA-N
rxn:4:201186:223815,CCCOc1ccc(C2c3c(oc4ccc(-c5ccc(Cl)c(CN6CCC7(CC6)OCCO7)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,CCHDQQSLSDOITO-UHFFFAOYSA-N
rxn:4:212839:222440,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(S(=O)(=O)NCc5ccco5)cc4C(F)(F)F)ccn23)CC1,TYNYVRYPQSIWSH-UHFFFAOYSA-N
rxn:4:212846:222603,COc1cc(-c2ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc2)c(Cl)cc1NC(=O)OC(C)(C)C,AJLHLZCEGKMTIR-UHFFFAOYSA-N
rxn:4:212846:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4Cc4ccco4)CCN(C(C)=O)C6)cc3)cc2C)CC1,YNOUOQCBWICYHR-UHFFFAOYSA-N
rxn:4:213451:223996,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(N6CCN(C)CC6)cc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,JHZOPHUQCZRDSI-UHFFFAOYSA-N
rxn:4:214376:223845,CC(C)Cc1nnc(N2C(=O)c3oc4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCN(C)CC5)cc4c(=O)c3C2c2ccccc2)s1,ZPMRJJODWFXEOB-UHFFFAOYSA-N
rxn:4:214388:225275,COCCOc1c(F)c(C)cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1F,UMACPVFSZLKDRY-UHFFFAOYSA-N
rxn:4:215310:223557,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3c(F)ccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)c2ccccc21,SFGRAMGLGXRJRI-UHFFFAOYSA-N
rxn:4:218751:222423,COc1c(-c2ccc3nc(N(Cc4ccccn4)C(=O)c4ccc(N(C)C)cc4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PVLQITMMJZRYHN-UHFFFAOYSA-N
rxn:4:218785:222648,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(NC(=O)OC(C)(C)C)c(C)cc3C)cc1-2,NVYONDILVRXAOQ-UHFFFAOYSA-N
rxn:4:218785:223949,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(N(C)C)nc3OCc3ccccc3)cc1-2,MAHVTCUBJVJGRO-UHFFFAOYSA-N
rxn:4:218785:223950,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(OCc4ccccc4)nc3N(C)C)cc1-2,XNORPGVGWGJZQY-UHFFFAOYSA-N
rxn:4:221201:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1,NCSLNZURDAJTKT-HSZRJFAPSA-N
rxn:4:221275:222725,CCNS(=O)(=O)c1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)c(C(F)(F)F)c1,IDBAMNDMKPUPRF-UHFFFAOYSA-N
rxn:4:221565:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(Cc6ccco6)c(C)c(C)n45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SMNNSHOAFQFLQM-UHFFFAOYSA-N
rxn:4:221747:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCN4c3ccc(F)cc3)n(C)c2=O)cc1,KHXLPCMIQFCAIL-UHFFFAOYSA-N
rxn:4:221774:222701,Cc1ccccc1Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc2)n(C)c1=O,PBDWINWERWQNNX-UHFFFAOYSA-N
rxn:4:221774:225530,CCN(CC)Cc1ccc(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)cc1,VHPXBIMKNRJNGO-UHFFFAOYSA-N
rxn:4:221776:222848,CCc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc(C2CCCNC2)n1,FXEDVQKSFWHCCM-UHFFFAOYSA-N
rxn:4:221781:224950,COc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4cccc(C)c4C)n(C)c3=O)cc2)c(CN2CCCC2)c1,YLZGUNSLGJHVBT-UHFFFAOYSA-N
rxn:4:221784:222612,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)cc3)n(C)c2=O)c1,VDTQJCKJHHUHLU-UHFFFAOYSA-N
rxn:4:221784:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3cc(C)ccc3C)c(=O)n2C)cc1,ZMSHUMFOWGJPTO-UHFFFAOYSA-N
rxn:4:221793:223168,CC1CN(c2ccc(-c3cccnc3N3CCNCC3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,IINGEBRTLVFMNP-UHFFFAOYSA-N
rxn:4:221990:222705,COc1ccc(-c2cc(C3CCNCC3)cc(C(F)(F)F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,YADPRTZJFLFTCS-UHFFFAOYSA-N
rxn:4:221995:225762,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(Cl)c(F)c(OCC(C)C)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,SWLRQLZZELBBBW-UHFFFAOYSA-N
rxn:4:222135:223641,CCc1cc2c(cc1F)cc(-c1ccc(OC)c(-c3nnc4n(Cc5ccccc5)c5c(=O)n(C)c(=O)n(C)c5n34)c1)n2C(=O)OC(C)(C)C,ITCJHPQWJLIKKI-UHFFFAOYSA-N
rxn:4:222137:224290,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,UOJKNMWQVLLEQM-UHFFFAOYSA-N
rxn:4:222138:224150,Cc1c(F)cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)cc1OCc1ccccc1,HXAZDKBBJFPZFW-UHFFFAOYSA-N
rxn:4:222362:222586,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(C(=O)NCCc7ccc(F)cc7)s6)cc6[nH]ncc56)nn4)cn3c2)CC1,HRMXCCHNIZEICY-UHFFFAOYSA-N
rxn:4:222362:222589,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCCN7CCC(O)CC7)c(Cl)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,AILIYMOYEJHRDL-UHFFFAOYSA-N
rxn:4:222362:222624,CC(C)Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCNCC2)n1,AYEFKDGASXUXQC-UHFFFAOYSA-N
rxn:4:222362:223699,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCOCC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,UKHLSYBVINMNSQ-UHFFFAOYSA-N
rxn:4:222362:223932,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc7c(Cl)cccc7n6C(=O)OC(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,UPKPGOFGPBXFNC-UHFFFAOYSA-N
rxn:4:222363:224573,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCCC5C)cc4C#N)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NXIGXCFSLPYVKV-UHFFFAOYSA-N
rxn:4:222363:225469,Cc1cc(CN2CCN(c3c(-c4ccc(N5CCCC(C)C5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RFHOVDNSMPVXFP-UHFFFAOYSA-N
rxn:4:222363:225823,Cc1cc(CN2CCN(c3c(-c4cc(C(C)C)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HFWGNSYCZMEPCV-UHFFFAOYSA-N
rxn:4:194202:222423,COc1c(-c2ccc3nc(OC4COC4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XHJNXCXTGZOJMV-UHFFFAOYSA-N
rxn:4:199983:222760,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4ccc(C(=O)Nc5ccccn5)cc4)cc32)SC1=S,UPLGYJIFZJYMNY-UHFFFAOYSA-N
rxn:4:201184:223530,CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)CC1,TVJQVAWTPXUEIX-UHFFFAOYSA-N
rxn:4:203241:222423,COc1c(-c2cnc(-c3cccc(OC(F)(F)F)c3)cn2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RTGMRPGLDGQFTJ-UHFFFAOYSA-N
rxn:4:204184:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c1C,IYAYZUDYJJCMQB-UHFFFAOYSA-N
rxn:4:212845:222439,CC(=O)N1CCc2c(sc3nc(SCc4cccc(-c5ccc(S(=O)(=O)NC6CCCCC6)cc5C(F)(F)F)c4)n(Cc4ccco4)c(=O)c23)C1,CGQSDMOVSBMOMD-UHFFFAOYSA-N
rxn:4:213445:223480,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(C)c(S(=O)(=O)N7CCN(C(=O)OC(C)(C)C)CC7)c(C)c6)c(OC)ccc5c4)nc23)cc1OC,APQDPDVIUJAPGO-UHFFFAOYSA-N
rxn:4:213451:223658,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)c6ccccc56)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RJMXFAXRKPVJGH-UHFFFAOYSA-N
rxn:4:213451:226512,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccncc5OCC5CCO5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,XLPCULMDTAVQPJ-UHFFFAOYSA-N
rxn:4:213473:223726,CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CSc4nc5sc6c(c5c(=O)n4-c4ccccc4C)CCN(C(C)=O)C6)cc3)c(F)c2)CC1,CHJDIKMHECLZJN-OZIXAUCHSA-N
rxn:4:213475:223600,COc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Cl)cc23)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,RLXFERPYTYBQKX-IQRUICDZSA-N
rxn:4:214388:225788,CCc1nnc(-c2cccc(-c3cc4c(cc3OC)c(C(=O)N3CCc5[nH]c6ccc(OC)cc6c5C3)c(C)n4C)c2)o1,QNCIBJVDHDCFLS-UHFFFAOYSA-N
rxn:4:215310:223474,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3ccc(OCc4ccccc4)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)c2ccccc21,CQSIYNZDRCUWSZ-UHFFFAOYSA-N
rxn:4:215310:223835,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3cc(S(=O)(=O)N4CCC(C)CC4)c(C)cc3F)cc2)c2ccccc21,UTYZCRKSVAKPMH-UHFFFAOYSA-N
rxn:4:218785:223483,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)cc1-2,SCVCGZPIRFZABE-UHFFFAOYSA-N
rxn:4:218785:223538,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)cc1-2,FZUIZGZJRRJCSL-UHFFFAOYSA-N
rxn:4:218785:223657,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccncc34)cc1-2,DHWJNLKLSLEYTG-UHFFFAOYSA-N
rxn:4:218785:223840,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(OC)c(S(=O)(=O)N4CCN(C)CC4)c3)cc1-2,TWUAWNHXKXQDDF-UHFFFAOYSA-N
rxn:4:218785:223953,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(F)cc(N4CCN(CCOC)CC4)c3)cc1-2,YWMMMZZSIVMAFU-UHFFFAOYSA-N
rxn:4:218785:224988,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(C4CC4)cc3-n3ccnc3)cc1-2,FHYPXCLSNKZXOJ-UHFFFAOYSA-N
rxn:4:219572:222423,CCOC(=O)c1nc2c(C#N)cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cn2n1,NOKLHMOHONWGIC-UHFFFAOYSA-N
rxn:4:221262:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCOC)c(C)cn45)n(C)c3=O)cc2)CC1,SDRUVDAQWRUXAK-UHFFFAOYSA-N
rxn:4:221274:222466,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,OCBBRDUJMSNNHK-UHFFFAOYSA-N
rxn:4:221762:222542,Cc1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(C(C)C)c(C)c(C)n45)n(C)c3=O)cc2)cc1OCCCN1CCNCC1,AQOJCGZJPLULMH-UHFFFAOYSA-N
rxn:4:221776:222621,CC(C)Cc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc(C2CCCNC2)n1,IHIVNBQXFFJNQJ-UHFFFAOYSA-N
rxn:4:221781:222850,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)c1C,LSHCBMPWESDKHU-UHFFFAOYSA-N
rxn:4:221782:222537,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,MPQYBIVDAKTSHI-UHFFFAOYSA-N
rxn:4:221782:222999,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,INQKATGDHRXFFV-UHFFFAOYSA-N
rxn:4:221784:222628,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCC5)nc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,SYKTZMXOXASNOH-UHFFFAOYSA-N
rxn:4:221789:224665,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(F)cc4CN4CCN(C)CC4)cc3)n(C)c2=O)cc1,XNIXTHWDXLUSIF-UHFFFAOYSA-N
rxn:4:221793:222702,CC1CN(c2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,NLNLRXRFQWBPLN-UHFFFAOYSA-N
rxn:4:221986:223667,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(OC(F)(F)F)cc3OCc3ccccc3)cc2)CC1,QLFAGVAFASEWQG-UHFFFAOYSA-N
rxn:4:221995:223057,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cc(Cl)nc(C6CCCNC6)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OQRSVBLTJGMHNG-UHFFFAOYSA-N
rxn:4:221995:224202,Cc1cc(Cl)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1OCc1cccnc1,VMFWHEQMIHZXOQ-UHFFFAOYSA-N
rxn:4:222363:224350,Cc1cc(CN2CCN(c3c(-c4cnc(C5CCCCC5)c(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZQXGPPIFBMZVKC-UHFFFAOYSA-N
rxn:4:222363:224656,COc1ccc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c(F)c1OC1CCCC1,HVEIFJBPHJNOLR-UHFFFAOYSA-N
rxn:4:222363:225079,Cc1cc(CN2CCN(c3c(-c4ccc5cc(OC(F)F)ccc5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NIQNASHLHOYKKU-UHFFFAOYSA-N
rxn:4:199983:222389,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc32)SC1=S,OYVHKBSKTRUHEY-UHFFFAOYSA-N
rxn:4:201189:222615,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(CC(C)C)cc(C3CCNCC3)c2)cc1,LALPAWJVWAQXJL-UHFFFAOYSA-N
rxn:4:202445:222423,COC(=O)c1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1Oc1cnc2[nH]ccc2c1,JBXWAZZVEBMRPJ-UHFFFAOYSA-N
rxn:4:202810:222389,COc1ccc(OC)c(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,PTUYJUMUHVCHSS-UHFFFAOYSA-N
rxn:4:212734:223588,CCC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OC)c(-c3cnc(N4CCN(C(=O)OC(C)(C)C)CC4)c(C)c3)c2)SC1=S,QAQQXHLRQLIPDS-UHFFFAOYSA-N
rxn:4:212846:223905,COc1cc(-c2ccc(CSc3nc4sc5c(c4c(=O)n3Cc3ccco3)CCN(C(C)=O)C5)cc2)cc(Cl)c1OCc1ccccc1,ALEIBVRUIVSBEX-UHFFFAOYSA-N
rxn:4:214362:223897,CCn1cc(-c2nc(-c3ccc(-c4ccc(C)c(OCCCN5CCOCC5)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,GWNSDPPLEYBCRU-UHFFFAOYSA-N
rxn:4:215788:222423,COc1c(-c2cnc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZSBCFIWDFVOURR-UHFFFAOYSA-N
rxn:4:218747:222486,CCCCc1nc(SCc2ccc(-c3cncc(-c4cncc(C5CCCCN5)c4)c3)cc2)c2c(=O)n(C)c(=O)n(C)c2n1,WMZZIEKUIYMEDF-UHFFFAOYSA-N
rxn:4:218764:223960,CCN1CCN(C(=O)c2cc(-c3nc4c(c(=O)n(CCCc5ccccc5)c(=O)n4C)n3Cc3ccccc3Cl)ccc2F)CC1,RBHYAOGVUDAPCY-UHFFFAOYSA-N
rxn:4:218785:222602,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)cc1-2,WNBAXMCQXAMAIU-UHFFFAOYSA-N
rxn:4:218785:224580,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(-n4ccnc4C)ccc3C3CC3)cc1-2,XQBYNRMTJJNGKN-UHFFFAOYSA-N
rxn:4:218785:224979,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(-n4ccnc4)cc3C3CC3)cc1-2,CMHIEYMNIHFDPO-UHFFFAOYSA-N
rxn:4:219179:222524,COc1ccc(-c2nc(SCc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1,HFIPWXMDVBXFSJ-UHFFFAOYSA-N
rxn:4:221252:222488,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(NC(=O)OCc3ccccc3)cnc2C)cc1,ZBVRWUNIXKKZJI-UHFFFAOYSA-N
rxn:4:221263:224264,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(F)c(-c4cccc(Cl)c4)cc3OC)cc2)n(C)c1=O,VMBXQJTXHGWJLL-UHFFFAOYSA-N
rxn:4:221270:222729,CCCc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(CCOCC)c(=O)n3C)cc2)cc(C2CCCNC2)n1,PMQQKLPLNNWJDN-UHFFFAOYSA-N
rxn:4:221275:222828,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)NC3CC3)cc2)c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2C1,JENJABCGLQWVCF-UHFFFAOYSA-N
rxn:4:221571:223842,CC1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)CC1,RIKYXSOZPGOLTJ-UHFFFAOYSA-N
rxn:4:221574:222850,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)cc1,UXMCUPDHNXEWGW-UHFFFAOYSA-N
rxn:4:221743:224664,COc1ccc(-n2ccc3c(nnc4c(-c5ccc(-c6cc(F)cc(CN7CCN(C)CC7)c6)cc5)c(C)nn43)c2=O)cc1,HUEXJHUVXMIWBE-UHFFFAOYSA-N
rxn:4:221766:222605,COc1ccc(S(=O)(=O)NC2CCCC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(C)cc3)n(C)c2=O)cc1,SWCOOJNIYRBEKZ-UHFFFAOYSA-N
rxn:4:221771:224687,CC1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(F)cc(CN6CCC(=O)CC6)c5)cc4)c(=O)n3C)n2C1,KWXOPXBKCMAGIB-UHFFFAOYSA-N
rxn:4:221778:222701,CC1CN(c2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,GELPHHIRUPHZNI-UHFFFAOYSA-N
rxn:4:221782:222729,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCCNC2)n1,GZGYMMYVARYTCL-UHFFFAOYSA-N
rxn:4:221783:223058,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,FVPCZPWBZLTCGU-UHFFFAOYSA-N
rxn:4:221787:222997,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)c(=O)n2C)c1,DYIUILVZTLEAIK-UHFFFAOYSA-N
rxn:4:221787:223133,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4N4CCNCC4)cc3)c(=O)n2C)c1,SYEYIZIAFXVPTB-UHFFFAOYSA-N
rxn:4:221788:224016,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cn(S(=O)(=O)N(C)C)nc4-c4ccccn4)cc3)c(=O)n2C)cc1,WCRWMTFADCNWQZ-UHFFFAOYSA-N
rxn:4:221848:222524,Cc1nn2c(nnc3c(=O)n(-c4ccc(-c5cc(F)c(F)cc5S(=O)(=O)N5CCC(O)CC5)cc4)ccc32)c1-c1ccc(F)cc1,SMAKTFRJOQVXAR-UHFFFAOYSA-N
rxn:4:221929:223719,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OCc6ccccc6)c6ccccc56)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,BEBRKXYYDRDYBJ-UHFFFAOYSA-N
rxn:4:221994:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,YFYFTYPPBNSOEC-UHFFFAOYSA-N
rxn:4:222353:222730,CCCc1cc(-c2ccc(-c3c(C)nn4c3ncc3c(=O)n(-c5nnc(CC)[nH]5)ccc34)cc2)cc(C2CCNCC2)n1,MPCAIAMIWQWJFK-UHFFFAOYSA-N
rxn:4:222362:224468,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(-c7ccsc7)cc(C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,OWMYHKNFELUEHM-UHFFFAOYSA-N
rxn:4:222362:227356,CCOc1cc(F)c(C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,LNSJFXAGUNGANZ-UHFFFAOYSA-N
rxn:4:222363:224652,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZWUVHAGGAJTSGE-UHFFFAOYSA-N
rxn:4:199983:225590,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4ccc(CN5CCCC5)c(F)c4)cc32)SC1=S,GZAFIRGZTXLWJO-UHFFFAOYSA-N
rxn:4:201188:222537,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1,XSAJVCWNRGSFTP-UHFFFAOYSA-N
rxn:4:204943:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,LIOXVLIWQMRSJL-UHFFFAOYSA-N
rxn:4:213068:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1,WGPOQKROLFTDTH-UHFFFAOYSA-N
rxn:4:213116:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LCUUFQNIJPDEAX-UHFFFAOYSA-N
rxn:4:213405:222890,COc1cc(-c2ccc(-n3c(C)cc(C(=O)CSc4ncnc5sc(C)c(C)c45)c3C)cc2)cc(C2CCCNC2)n1,KPDRBOGLMRTXDO-UHFFFAOYSA-N
rxn:4:213412:222423,COc1c(-c2ccc3c(C(=O)N4CCC(S(=O)(=O)CC(C)C)CC4)n(C)nc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XDOXWFAPLJURQS-UHFFFAOYSA-N
rxn:4:213448:223542,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCN(C)CC6)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,ZPWPPDRKAXHDBD-UHFFFAOYSA-N
rxn:4:213475:222448,COc1cc(-c2cc(C(=O)NCc3ccccc3)cc([N+](=O)[O-])c2)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,NCDYFNJDVZPZBX-IQRUICDZSA-N
rxn:4:213475:223587,COc1cc(COc2ccc(F)c(-c3ccc([C@@H]4c5ccc6c(cnn6C6CCCCCO6)c5C[C@@H](C)N4CC(F)(F)F)c(OC)c3)c2F)cc(OC)c1,HPLCHLVIFKCGAD-SDFZYSMNSA-N
rxn:4:214362:223187,CCn1cc(-c2nc(-c3ccc(-c4cccc(S(=O)(=O)NOC)c4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,VDEFPKRFTLDFLN-UHFFFAOYSA-N
rxn:4:215225:223570,COc1ccccc1N=c1oc2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2cc1-c1nc2ccccc2[nH]1,RRUOHGMXJWHQKC-UHFFFAOYSA-N
rxn:4:218779:222423,CCCCn1c(=O)c2sccc2n2c(SCc3cccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3)nnc12,ONEDTLUZJKRBMB-UHFFFAOYSA-N
rxn:4:218785:224739,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cnc(Cl)nc3OCc3ccccc3)cc1-2,FXMQYUMYANNUMI-UHFFFAOYSA-N
rxn:4:219709:223694,CCN1CCN(S(=O)(=O)c2cc(-c3nc4c(c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)n3CC(C)=O)c(F)cc2C)CC1,VRFNUDGHPFZQRD-UHFFFAOYSA-N
rxn:4:221252:223924,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2c(OC)cccc2-c2c(Cl)cccc2OC)cc1,CTPYWSIYISVLJT-UHFFFAOYSA-N
rxn:4:221272:222997,CCCCCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(Cl)cc3C3CCCNC3)cc2)n(C)c1=O,CBKMWZONVRZRQQ-UHFFFAOYSA-N
rxn:4:221277:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(Oc6ccccc6)cc5)n(C)c4=O)cc3)c2)CC1,QVOYZAPIMZSDEB-UHFFFAOYSA-N
rxn:4:221571:222700,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(C(F)(F)F)cc2C2CCCNC2)cc1,BRWUINKJYNCDPB-UHFFFAOYSA-N
rxn:4:221572:224665,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)cc3CN3CCN(C)CC3)cc2)n(C)c1=O,KFGFUSCRYQWULY-UHFFFAOYSA-N
rxn:4:221574:225930,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C)ccc4S(=O)(=O)N(C)C)cc3)c(=O)n2C)cc1,GBQDBELQWPBDRB-UHFFFAOYSA-N
rxn:4:221772:222700,CC1CN(c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,NVUWVTNHRRWFBG-UHFFFAOYSA-N
rxn:4:221776:222958,Cc1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1C1CCNCC1,XVXANNTZFGYDMI-UHFFFAOYSA-N
rxn:4:221782:222389,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,ZXWBGWHEJPSZEU-UHFFFAOYSA-N
rxn:4:221786:222999,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)cc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1C,GGSCWGTVCSIKGQ-UHFFFAOYSA-N
rxn:4:221788:224753,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCCC5)ccc4C)cc3)c(=O)n2C)cc1,DKXLTUIFEMYUIW-UHFFFAOYSA-N
rxn:4:221988:225048,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(N5CCN(C)CC5)cc4C)ccc3OC)nnc12,RAHBSBIVFZKOHH-UHFFFAOYSA-N
rxn:4:221994:223879,CCCc1ccc(-c2ccc(-c3ccc(Cn4c(=O)c5c(nc6n(CCN7CCOCC7)c(C)cn56)n(C)c4=O)cc3)c(F)c2F)cc1,RAZFHEKVOKGYFO-UHFFFAOYSA-N
rxn:4:222250:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)cn34)n(C)c2=O)cc1,XQAQJYTWXWTXPM-UHFFFAOYSA-N
rxn:4:222362:222480,Cc1cccc(NC(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)c1C,RQUZMDMPUWAQKT-UHFFFAOYSA-N
rxn:4:222362:223514,Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)cc1,APWASSXLOXSUSI-UHFFFAOYSA-N
rxn:4:222362:223750,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7cccnc7c6O[Si](C)(C)C(C)(C)C)cc6[nH]ncc56)nn4)cn3c2)CC1,BTWFAFWQCIFHGQ-UHFFFAOYSA-N
rxn:4:222363:222712,Cc1cc(CN2CCN(c3c(-c4ccc(NC(=O)OC(C)(C)C)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SIKDYVPRRCSAPO-UHFFFAOYSA-N
rxn:4:222363:224133,Cc1ccc(OCc2ccc(F)cc2)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,HKOUUPJSKDZVQV-UHFFFAOYSA-N
rxn:4:222363:225240,Cc1cc(CN2CCN(c3c(-c4ccnc(-c5cc(F)cc(F)c5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PSEITSFGDIDXRK-UHFFFAOYSA-N
rxn:4:222363:225310,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)c(Cl)cc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,AUIGYVBGRNYIIC-UHFFFAOYSA-N
rxn:4:187385:222423,COc1cc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc(OC)c1CN1CCC(F)(F)CC1,HZYJZZFCSPEZCU-UHFFFAOYSA-N
rxn:4:187694:222423,COc1c(-c2cc(F)cc(-c3c(S(C)(=O)=O)c(C)n(C(C)C)c3-c3ccc(Cl)cc3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LZEUABOZQFYAKL-UHFFFAOYSA-N
rxn:4:199983:228335,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4c(OC)ccnc4OC)cc32)SC1=S,XHPIFBAUIDIMQU-UHFFFAOYSA-N
rxn:4:199989:222488,CCOC(=O)c1c(CN2CCOCC2)n(C)c2cc(-c3cc(NC(=O)OCc4ccccc4)cnc3C)c(OC)cc12,UZCYPWGXWMWTIS-UHFFFAOYSA-N
rxn:4:201019:222465,CC(C)(C)OC(=O)c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1Oc1cnc2[nH]ccc2c1,QNGVRIHCWJVNHV-UHFFFAOYSA-N
rxn:4:202353:222537,COc1ccc(C=C2SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1-c1cc(C2CCCC2)nc(C2CCCNC2)c1,NFWGQWMDRVGANT-UHFFFAOYSA-N
rxn:4:204937:222423,COc1c(-c2cccc(C3c4c(oc5cc(C)c(Cl)cc5c4=O)C(=O)N3Cc3cccnc3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IEMWTRQVEAIXPU-UHFFFAOYSA-N
rxn:4:204943:223522,COc1cccc(C2c3c(oc4ccc(-c5cc(F)cc(N6CCC(O[Si](C)(C)C(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,FOMUEVOZBBROQF-UHFFFAOYSA-N
rxn:4:207613:223200,FS(F)(F)(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C5CCNC5)cc4)cc3)nc2c1,ZXLSXDUSIWULOC-UHFFFAOYSA-N
rxn:4:212745:223707,CC1CN(c2cc(CN3CCOCC3)cc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)CCN1C(=O)OC(C)(C)C,OSAGVCLRYVPXAE-UHFFFAOYSA-N
rxn:4:212748:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,DNFSRZIOWFFVSD-UHFFFAOYSA-N
rxn:4:212839:224882,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(CN5CCCCCC5)cc4)ccn23)CC1,WPNUDFXPXFRNLO-UHFFFAOYSA-N
rxn:4:218785:223780,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cccc4c3ccn4S(=O)(=O)c3ccccc3)cc1-2,ABXPDKAVIACIRM-UHFFFAOYSA-N
rxn:4:219105:222389,O=c1c2nnc(SCc3cccc(C(F)(F)F)c3)n2ccn1-c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,ZKNVQSSEMYEDLV-UHFFFAOYSA-N
rxn:4:219780:222846,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CCCNC6)ccc5C#N)c(C(F)F)cc43)nn2C2CCOCC2)C1,QSTXXFFVLTXCKX-UHFFFAOYSA-N
rxn:4:221107:222423,COc1c(-c2cnc(OCC3CCCN(C(=O)Cn4cnc(C)c(C)c4=O)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DRSBIHCFPMELOI-UHFFFAOYSA-N
rxn:4:221535:222465,Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)n(C)c1=O,YBDPFZRLEMFWGD-UHFFFAOYSA-N
rxn:4:221561:222423,CCC(C)n1c(C)cn2c3c(=O)n(Cc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)c(=O)n(C)c3nc12,DPBOSKKQHJFTEQ-UHFFFAOYSA-N
rxn:4:221565:223570,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c(=O)n(C)c3nc2n1Cc1ccco1,BDPNVLDHOHIBRB-UHFFFAOYSA-N
rxn:4:221567:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCc5ccccc5)c(=O)n4C)cc3)c2)CC1,DRLMFFKEVLNKMF-UHFFFAOYSA-N
rxn:4:221571:225171,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)cc(CN3CCOCC3)c2)cc1,ACHUNJWAAVSTID-UHFFFAOYSA-N
rxn:4:221572:222389,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)cc2)n(C)c1=O,RMTCCHHOKTUVDW-UHFFFAOYSA-N
rxn:4:221743:224667,COc1ccc(-n2ccc3c(nnc4c(-c5ccc(-c6ccc(Cl)c(CN7CCN(C)CC7)c6)cc5)c(C)nn43)c2=O)cc1,HSMCKGDKGYLWKV-UHFFFAOYSA-N
rxn:4:221766:222706,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C(F)(F)F)cc3)c(=O)n2C)cc1,UXGVYHKTZBXJCW-UHFFFAOYSA-N
rxn:4:221778:222700,CC1CN(c2ccc(-c3ccc(C(F)(F)F)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,IZYOAFNQZCIZLX-UHFFFAOYSA-N
rxn:4:221790:223133,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccccc3N3CCNCC3)cc2)n(C)c1=O,CDNFPTFECYFVHN-UHFFFAOYSA-N
rxn:4:221988:223527,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(F)cc4CN4CCN(C(=O)OC(C)(C)C)CC4)ccc3OC)nnc12,WKWPLOWVFWTPAN-UHFFFAOYSA-N
rxn:4:221995:225320,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(N6CCOCC6)c(F)c5F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,LDTCGQWFYODRLE-UHFFFAOYSA-N
rxn:4:222138:223924,COc1cccc(Cl)c1-c1cccc(OC)c1-c1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1,YYSBUGMQDSGGDB-UHFFFAOYSA-N
rxn:4:222362:222706,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCNCC7)ccc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,HGNGRACVGBMXHT-UHFFFAOYSA-N
rxn:4:222362:226554,CCCOc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1F,UDDYCAODPDZEMN-UHFFFAOYSA-N
rxn:4:222363:224230,Cc1cc(CN2CCN(c3c(-c4cc(Cl)c(F)c(OCc5ccccc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RHKZWHKTCNNEBO-UHFFFAOYSA-N
rxn:4:222363:225248,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-c5ccccc5F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YTSLTUCHJMJUKN-UHFFFAOYSA-N
rxn:4:222363:225509,Cc1cc(CN2CCN(c3c(-c4ccc5c(C6CC6)nn(C)c5c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FUCXVRIJJGVMEO-UHFFFAOYSA-N
rxn:4:222363:228416,COc1cc(F)cc(F)c1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,NCJWGXYSUJBIMI-UHFFFAOYSA-N
rxn:4:184242:222466,CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(-c2cc(C3CCCCC3)nc(C3CCNCC3)c2)cc1,STZVZDZGVRUXIR-UHFFFAOYSA-N
rxn:4:194792:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3ccc(C4OC5(C(=O)c6ccccc6C5=O)C5C(=O)N(c6ccc(Cl)cc6)C(=O)C45)cc3)cnc21,RRFZIYMQVAMFJR-UHFFFAOYSA-N
rxn:4:199992:222462,CCOc1cc(N2C(=NC(C)=O)SC3CS(=O)(=O)CC32)cc(-c2c(F)cc3nc(NC(=O)OC(C)(C)C)sc3c2F)c1OCC,HENRJFIHEPUIPF-UHFFFAOYSA-N
rxn:4:201057:222630,CCCCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(C5CCC5)nc(C5CCNCC5)c4)cc32)SC1=S,WOGQPKONAFVJFX-UHFFFAOYSA-N
rxn:4:212741:222459,CC1CN(Cc2ccc(-c3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,IFCNEJXMQXFIFR-UHFFFAOYSA-N
rxn:4:212747:223722,CC(C)CCOc1ccc(-c2ccc(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4C)c(N4CCOCC4)c3)cc2)cc1,IVYHABPMVVGHIF-UHFFFAOYSA-N
rxn:4:212839:224881,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cccc(CN5CCCCCC5)c4)ccn23)CC1,UVSIAGNWDUBLPY-UHFFFAOYSA-N
rxn:4:213451:223699,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(S(=O)(=O)N6CCOCC6)cc5C(F)(F)F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,GZWGEQDGOJUIHO-UHFFFAOYSA-N
rxn:4:213474:222549,Cc1cc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5CC6(CC6)CN5C(=O)OC(C)(C)C)[nH]4)ccc2-3)cnc1NCC(=O)c1ccccc1,TVPJRHFBAIMIPJ-UMSFTDKQSA-N
rxn:4:214388:223811,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(CN5CCC6(CC5)OCCO6)c(Cl)c4)c(OC)cc12)CC3,FPKTWEMMNSKDND-UHFFFAOYSA-N
rxn:4:214388:225274,COCCOc1c(F)cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(C)c1F,JTRQWMDOWRQAIH-UHFFFAOYSA-N
rxn:4:218590:222423,COc1c(-c2cnc(OCC3CCCN(S(=O)(=O)c4ccccc4C#N)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GLIOVNATEMGPBW-UHFFFAOYSA-N
rxn:4:218785:223519,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cccc(-c4nc5ccccc5n4-c4ccccc4)c3)cc1-2,SSZLMLFJIHSNHN-UHFFFAOYSA-N
rxn:4:218785:224721,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3c(C)nn(CC(=O)OC(C)(C)C)c3C)cc1-2,XQNIPTZAZSEMBM-UHFFFAOYSA-N
rxn:4:219189:222523,COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2C(F)(F)F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,MFIMAVQWOQZOSD-UHFFFAOYSA-N
rxn:4:221201:222986,Cc1cc(-c2ccc(-c3n[nH]cc3CN3CCN(c4ccc(C(F)(F)F)cn4)[C@H](C)C3)cc2)cc(C2CCCNC2)n1,IJRSHOQROHGBQN-UFUCKMQHSA-N
rxn:4:221252:222563,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cccc(C(=O)NCc3cccc(F)c3)c2)cc1,JSUZPBWIOXOLHF-UHFFFAOYSA-N
rxn:4:221539:222587,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(NCc4ccccc4)cc([N+](=O)[O-])c3)cc2)CC(C)O1,UZMCLVHJRIVSPI-UHFFFAOYSA-N
rxn:4:221572:223691,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(OCc4cccnc4)c(C(F)(F)F)cc3Cl)cc2)n(C)c1=O,BLWZDOZWXWZQNS-UHFFFAOYSA-N
rxn:4:221758:224633,COc1ccc(CN2CCOCC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1,WWDZDENXUIPKJT-UHFFFAOYSA-N
rxn:4:221760:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5F)c(=O)n4C)cc3)c2)CC1,XLBHLSWWLKMAEN-UHFFFAOYSA-N
rxn:4:221781:226131,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccccc4CN4CCCC4)cc3)c(=O)n2C)c1C,XIXRPZCSDKAHHG-UHFFFAOYSA-N
rxn:4:221782:222848,CCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCCNC2)n1,DCQFLWRTKXIALL-UHFFFAOYSA-N
rxn:4:221784:222730,CCCc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)cc(C2CCNCC2)n1,CTPOLDORDMRPTD-UHFFFAOYSA-N
rxn:4:221788:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5c4ccc(C)cc4)n(C)c3=O)cc2)c(C(F)(F)F)c1,VJTYAQCANVTKKZ-UHFFFAOYSA-N
rxn:4:221928:224146,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4c(C)cc(O[Si](C)(C)C(C)(C)C)cc4C)ccc3OC)nnc12,PONXUHWVZNBHPL-UHFFFAOYSA-N
rxn:4:221994:222602,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(CC(C)C)sc5S(=O)(=O)NC(C)(C)C)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,PPLXZOOXCQVUNJ-UHFFFAOYSA-N
rxn:4:221994:223578,Cc1cn2c3c(=O)n(Cc4ccc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,WGRFBDLSBJLEPW-UHFFFAOYSA-N
rxn:4:221995:222648,Cc1cc(C)c(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1NC(=O)OC(C)(C)C,GIAXDRSRNXKNOH-UHFFFAOYSA-N
rxn:4:221995:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)CC1,ZRXQISYYBLQQTF-UHFFFAOYSA-N
rxn:4:222135:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(OC)c(-c2nnc3n(Cc4ccccc4)c4c(=O)n(C)c(=O)n(C)c4n23)c1,HZEZUQAYFUTMKS-UHFFFAOYSA-N
rxn:4:222272:223578,Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6cnc(N7CCCCC7)nc6OCc6ccccc6)c5)no4)cnc32)cc1,MSTXQMCFJVALBD-UHFFFAOYSA-N
rxn:4:222362:227568,COc1cc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c(OC)c1,MOCFRFBTJKCPLV-UHFFFAOYSA-N
rxn:4:222363:224304,Cc1cc(CN2CCN(c3c(-c4c(F)ccc(O[Si](C)(C)C(C)(C)C)c4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PRKKLARHSVYEDV-UHFFFAOYSA-N
rxn:4:184240:222389,CC(C)OCCCN1C(=O)c2oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3c(=O)c2C1c1ccccc1F,NVYLSCGWNINPIH-UHFFFAOYSA-N
rxn:4:185387:222423,COc1c(-c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IVDUXSRTBVCBGD-UHFFFAOYSA-N
rxn:4:191043:222423,COc1c(-c2ccc3c(c2)CN([C@H]2CC[C@H](C(=O)OC)CC2)C3=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JLVCSKOVQOCWRH-JKIUYZKVSA-N
rxn:4:200325:222423,CCOc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)n1ccnc1CC,JSKKNVNVTMZHFO-UHFFFAOYSA-N
rxn:4:202708:229111,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(-c3cnc(Cl)cc3C)ccc21,KMOYAVSOLKSDAY-UHFFFAOYSA-N
rxn:4:204937:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C4c5c(oc6cc(C)c(Cl)cc6c5=O)C(=O)N4Cc4cccnc4)c3)c3ccccc23)CC1,UTAXPANAUAUSDQ-UHFFFAOYSA-N
rxn:4:207826:222423,COc1c(-c2ccc(N3C(=O)N(c4ccccc4Cl)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IZLMGISISSXWPJ-UHFFFAOYSA-N
rxn:4:212741:222503,CC1CN(Cc2ccc(-c3cc(F)cc(C(=O)NCc4ccc(F)cc4)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,BQLGALQIBVLHAT-UHFFFAOYSA-N
rxn:4:212846:222740,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(C(C)C)nc(C6CCCNC6)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,ZGRBRISEHMHHBD-UHFFFAOYSA-N
rxn:4:213445:223534,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(OC7CCN(C(=O)OC(C)(C)C)CC7)ncc6F)c(OC)ccc5c4)nc23)cc1OC,XEMICZPYBVSKRG-UHFFFAOYSA-N
rxn:4:213480:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cncc(C(=O)OC[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(c45)[C@@]3(OC)C2)c1,BHUNJHNECSCHDP-QPYSNBRXSA-N
rxn:4:214386:222628,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCC7)nc(C7CCCNC7)c6)cccc5c4C3)n(C)c2c1,SADGLQBGADJQMW-UHFFFAOYSA-N
rxn:4:214388:222913,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(CNS(=O)(=O)C5CC5)cc4)c(OC)cc12)CC3,BZQBYRGEWBDUAW-UHFFFAOYSA-N
rxn:4:214388:225132,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(-n5ccnc5C)cc4C#N)c(OC)cc12)CC3,XHROXEPWMLMWQO-UHFFFAOYSA-N
rxn:4:214388:227470,CCCOc1ncc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c(C)n1,HPALWNGJEWZHOC-UHFFFAOYSA-N
rxn:4:215310:223601,COc1ccc(COc2ncc(-c3ccc(C4C5=C(OC(C)=O)c6ccccc6C5=Nc5c4c(=O)n(C)c(=O)n5C)cc3)cc2C(F)(F)F)cc1,QSZHGXRMKSQNIH-UHFFFAOYSA-N
rxn:4:218723:222423,COc1c(-c2ccc3nc(N(Cc4cccnc4)C(=O)c4ccc([N+](=O)[O-])cc4)sc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,VRBHURILNLVDOL-UHFFFAOYSA-N
rxn:4:218785:223890,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc4ncn(Cc5ccccc5)c4cc3F)cc1-2,KLZYQZCGYCVGDK-UHFFFAOYSA-N
rxn:4:221252:222494,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2F)cc1,SXZLUTMIGKBHEU-UHFFFAOYSA-N
rxn:4:221252:222509,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(F)cc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1,RFNDCDYOWOPZFV-UHFFFAOYSA-N
rxn:4:221535:222423,COc1c(-c2ccc(Cn3c(CN4CCOCC4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RCFYTHWTBGYHMC-UHFFFAOYSA-N
rxn:4:221568:222890,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5Cc4ccccc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,YRONMHXUQAGKJN-UHFFFAOYSA-N
rxn:4:221758:223692,Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(OCc3cccnc3)c(Cl)cc2C(F)(F)F)cc1,YCYDDDFCOBGDCI-UHFFFAOYSA-N
rxn:4:221762:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n(C(C)C)c(C)c(C)n45)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,TXNBTBSYQHHFHP-UHFFFAOYSA-N
rxn:4:221776:222957,Cc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc(C2CCCNC2)c1,VPQUPPFTIYMMCO-UHFFFAOYSA-N
rxn:4:221776:223001,CC1CN(c2ccc(-c3cc(C4CCCNC4)ccc3F)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,DQHLDWWSZSWHSO-UHFFFAOYSA-N
rxn:4:221782:222621,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(CC(C)C)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,DOADVQHCEUQBCJ-UHFFFAOYSA-N
rxn:4:221784:223001,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCNC5)ccc4F)cc3)n(C)c2=O)c1,KJMBCDXMYSIOAN-UHFFFAOYSA-N
rxn:4:221990:222538,COc1ccc(-c2cc(C3CCCC3)nc(C3CCNCC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,JWIPQCFJBYDNDZ-UHFFFAOYSA-N
rxn:4:221994:223976,Cc1cn2c3c(=O)n(Cc4ccc(-c5cc(OC6CCCC6)cc(OC(F)(F)F)c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,JOTIWRJGVKRVKB-UHFFFAOYSA-N
rxn:4:222137:224736,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(C(F)(F)F)cc2OCC(C)C)cc1,IMGUBGBJYYBHAS-UHFFFAOYSA-N
rxn:4:222362:223178,CONC(=O)c1ccc(F)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,YPAGDPNDLMXABP-UHFFFAOYSA-N
rxn:4:222362:224719,CC(C)c1nn(C(=O)OC(C)(C)C)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MESQUKLKFYEXMR-UHFFFAOYSA-N
rxn:4:222363:226031,Cc1cc(CN2CCN(c3c(-c4ccc(C(F)(F)F)cc4C(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PAYZONQFOSAOKO-UHFFFAOYSA-N
rxn:4:222363:227781,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)cc4C(F)(F)F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IXFRUKZYGRPNIZ-UHFFFAOYSA-N
rxn:4:222387:223641,CCc1cc2c(cc1F)cc(-c1cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc1)n2C(=O)OC(C)(C)C,UMONPLPSIBIOJL-UHFFFAOYSA-N
rxn:4:191205:222423,COc1c(-c2ccc3c(c2)C2c4sc(=O)n(Cc5ccccc5)c4SC(c4ccccc4)C2C(=O)O3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JMMPZWUWTBTQPL-UHFFFAOYSA-N
rxn:4:201190:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3cccc(C4c5c(oc6ccc(C)cc6c5=O)C(=O)N4CCCN4CCOCC4)c3)c3ccccc23)CC1,MXUKYTXUMFVEHW-UHFFFAOYSA-N
rxn:4:204772:227283,CCN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2cc(-c3cc(C#N)nc(C4CC4)c3)ccc21,GVWRGUXXEXPADX-UHFFFAOYSA-N
rxn:4:204936:222423,COc1c(-c2ccc(C3c4c(oc5cc(C)c(Cl)cc5c4=O)C(=O)N3Cc3cccnc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PLRVJPVMFPNEBM-UHFFFAOYSA-N
rxn:4:206053:222423,COc1c(-c2cc(C#N)c(Cl)nc2C(C)(C)C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,PGINXCVYJIQESH-UHFFFAOYSA-N
rxn:4:212741:222452,CC1CN(Cc2ccc(-c3cc(F)c(F)c(NC(=O)OCc4ccccc4)c3)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,FNWNTVUVUCBWGA-UHFFFAOYSA-N
rxn:4:212741:222458,CC1CN(Cc2ccc(-c3cc(C(=O)Nc4cccc([N+](=O)[O-])c4)ccc3F)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,DCJFQYCAESKTRG-UHFFFAOYSA-N
rxn:4:212742:222438,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccc2Cl)cc1N1CCCC1,ZADSLYGJOKDXAU-UHFFFAOYSA-N
rxn:4:212745:223785,CCN1CCN(CCOc2ccc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2Cl)CC1,DZUZGJSIAZVSNM-UHFFFAOYSA-N
rxn:4:212790:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(c3)sc(=NC(=O)c3cc5cc([N+](=O)[O-])ccc5s3)n4CCOC)c2)CC1,JLIBXZBGKNVICL-UHFFFAOYSA-N
rxn:4:213315:222538,C#CCn1c(=NC(=O)c2ccc(-c3cc(C4CCCC4)nc(C4CCNCC4)c3)s2)sc2cc(S(N)(=O)=O)ccc21,QSRLFGVEHDBKJX-UHFFFAOYSA-N
rxn:4:214388:222700,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)c(OC)cc12)CC3,YENPIZDMBHXDSO-UHFFFAOYSA-N
rxn:4:214388:223025,CCCNC(=O)c1cc(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)ccc1Cl,DSJNZNJXJUCZMV-UHFFFAOYSA-N
rxn:4:215088:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1S(=O)(=O)n1nnc2cc(C)ccc21,WLAUGWTVYVCHCZ-UHFFFAOYSA-N
rxn:4:218785:223944,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3c(C)c(Cl)cc4c3cnn4C3CCCCO3)cc1-2,ARWIEYMCGNPQGZ-UHFFFAOYSA-N
rxn:4:221252:222440,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2C(F)(F)F)cc1,JREFCMXZZCVHFN-UHFFFAOYSA-N
rxn:4:221252:222631,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(C3CCNCC3)nc(C(C)(C)C)c2)cc1,JAZQLLJCBHHMBQ-UHFFFAOYSA-N
rxn:4:221252:223603,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(OCc3cccnc3)c(OC(F)(F)F)cc2Cl)cc1,SXWKMDGGUISYDX-UHFFFAOYSA-N
rxn:4:221252:223663,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(OCc3ccccc3)cc(OC(F)(F)F)c2)cc1,RSLSMBWAROLFAW-UHFFFAOYSA-N
rxn:4:221263:222461,CCOC(=O)Cn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cc2)n(C)c1=O,YITCFVUNJPMZON-UHFFFAOYSA-N
rxn:4:221571:225172,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(CN3CCOCC3)ccc2F)cc1,RVXKMYGUIZKYKR-UHFFFAOYSA-N
rxn:4:221574:222741,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,KAQMWOBVLSBNMZ-UHFFFAOYSA-N
rxn:4:221575:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCc5ccccc5)c(=O)n4C)cc3)c(F)cc2C)CC1,OPYMYCPTIVVDJV-UHFFFAOYSA-N
rxn:4:221747:225364,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCN5c4ccc(F)cc4)n(C)c3=O)cc2)cc1S(=O)(=O)N(C)C,IHBUFLJDVZTMFO-UHFFFAOYSA-N
rxn:4:221750:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CC(C)=O)c(=O)n4C)cc3)c(F)cc2C)CC1,XYZCVOIJWVGDCX-UHFFFAOYSA-N
rxn:4:221772:224290,CC1CN(c2ccc(-c3ccc(Cl)cc3OCCN3CCOCC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,ANVDHSRSIWQUMA-UHFFFAOYSA-N
rxn:4:221776:222628,CC1CN(c2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,UUHHOOQMOPLTQR-UHFFFAOYSA-N
rxn:4:221844:222423,COc1c(-c2ccc(Cn3c(C)cn4c5c(=O)n(C)c(=O)n(C)c5nc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JTKNSSWLPWZWGL-UHFFFAOYSA-N
rxn:4:222144:223684,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)cc1,XREKWWBOSKKNLD-UHFFFAOYSA-N
rxn:4:222195:223743,Cc1ccc(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)cc1OCCCN1CCC(C)CC1,JXKFKSZVZUOBCT-UHFFFAOYSA-N
rxn:4:222362:224630,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCc6ccccn6)cc6[nH]ncc56)nn4)cn3c2)CC1,ARMDSVFBVBQIKK-UHFFFAOYSA-N
rxn:4:222362:224848,CC[C@H]1CC[C@H](c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)CC1,UFYLOLYHCHUGQQ-KWQFAZJVSA-N
rxn:4:222363:223573,Cc1cc(CN2CCN(c3c(-c4ccc(CN5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CCXSNSTWMVXUPJ-UHFFFAOYSA-N
rxn:4:222363:224063,Cc1cc(CN2CCN(c3c(-c4cc(C5CC5)cc(N5CCCC(C)C5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BEKNRWGWXMFRON-UHFFFAOYSA-N
rxn:4:184220:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)c3ccc(C)cc3)c3ccc4oc(C)c(C(C)=O)c4c3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FVFMLBPKDJPQRG-UHFFFAOYSA-N
rxn:4:185645:222423,COc1c(-c2ccc(S(=O)(=O)N(C(=O)C3CCCCC3)c3cc4sc(=O)oc4c4ccccc34)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LLFWBLUUUBDLIB-UHFFFAOYSA-N
rxn:4:191166:222423,COc1c(-c2ccc(C3c4c(oc5ccc(F)cc5c4=O)C(=O)N3Cc3ccco3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KPDNUODYKSVSNP-UHFFFAOYSA-N
rxn:4:201147:222624,CCCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(C)cc3)C2=O)c2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)ccc21,WZHLWJSNDXLBNY-UHFFFAOYSA-N
rxn:4:201189:222616,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1ccc(-c2cc(C3CCNCC3)cc(C(C)(C)C)c2)cc1,FRPBQOLPSGRMNU-UHFFFAOYSA-N
rxn:4:213451:222711,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)c(S(=O)(=O)NC(C)(C)C)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LOTWFLUHVVNKJI-UHFFFAOYSA-N
rxn:4:213481:222886,COC12CC(COC(=O)c3cncc(-c4ccc(N5CCNCC5)cc4C#N)c3)CN(C)C1Cc1cn(C)c3cccc2c13,KTRCXVVGVPDFGN-UHFFFAOYSA-N
rxn:4:218785:223501,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)c(Cl)c3)cc1-2,GDHBRCVNKUFQRE-UHFFFAOYSA-N
rxn:4:218785:223566,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(-n4c(C)ccc4C)nc(-n4c(C)ccc4C)c3)cc1-2,HKXIIWORLDIITH-UHFFFAOYSA-N
rxn:4:218785:223942,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc4nnn(Cc5ccccc5)c4cc3F)cc1-2,SLEINOZBFAOMFD-UHFFFAOYSA-N
rxn:4:219780:223743,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)c(OCCCN6CCC(C)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,XKKKHTXODUNOIB-UHFFFAOYSA-N
rxn:4:221252:223684,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(OCc3cccnc3)ccc2OC(F)(F)F)cc1,UKKZBPYFFLGWIT-UHFFFAOYSA-N
rxn:4:221252:223843,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(S(=O)(=O)N(CC)CC)cc2C(F)(F)F)cc1,GVONYDRYGXXRMD-UHFFFAOYSA-N
rxn:4:221271:224006,COc1nc2ccc(OC(F)(F)F)cc2cc1-c1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1,YPESEPATPHORTD-UHFFFAOYSA-N
rxn:4:221569:223105,CNS(=O)(=O)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(OC)cc4)n(C)c3=O)cc2)c(F)cc1C,SMSWCMRXGMKJCV-UHFFFAOYSA-N
rxn:4:221572:223684,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(OCc4cccnc4)ccc3OC(F)(F)F)cc2)n(C)c1=O,YHHNYLYKFRPZAR-UHFFFAOYSA-N
rxn:4:221574:222524,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3)c(=O)n2C)cc1,XNVDBHUDLZIIJE-UHFFFAOYSA-N
rxn:4:221758:223992,Cc1ccc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4ccccc4Cl)c(=O)n3C)cc2)cc1S(=O)(=O)N1CCN(C)CC1,WFEHNXLGWXMZEA-UHFFFAOYSA-N
rxn:4:221782:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)c(C(F)(F)F)c1,LVGQNPUHGVEBID-UHFFFAOYSA-N
rxn:4:221789:222997,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(Cl)cc4C4CCCNC4)cc3)n(C)c2=O)cc1,KHRWJNOCKZLGJP-UHFFFAOYSA-N
rxn:4:221929:226188,Cc1cc([Si](C)(C)C)c(C)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,VEJMWFGCZLTAEC-UHFFFAOYSA-N
rxn:4:221995:223908,COc1ccc(COc2cc(Cl)ccc2-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc1,KEVYISDNLXCNKI-UHFFFAOYSA-N
rxn:4:222047:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4cnnn4)cc3C(=O)N3CCN(c4ccc(C)cc4C)CC3)c(F)cc2C)CC1,CJZNIFCSIJMQBD-UHFFFAOYSA-N
rxn:4:222135:222423,COc1ccc(-c2cccc(-c3nc4ccc5[nH]ncc5c4c4c3CCC4)c2OC)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,SEOXEKCGMXKJFG-UHFFFAOYSA-N
rxn:4:222137:223675,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)c(C(F)(F)F)cc2Cl)cc1,BPIJALBWMPELAI-UHFFFAOYSA-N
rxn:4:222137:223800,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3ccccc3)cc(C(F)(F)F)c2)cc1,ACKRYDABVRVLQT-UHFFFAOYSA-N
rxn:4:222142:224290,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,NIIKZDXUUVOSCW-UHFFFAOYSA-N
rxn:4:222144:224121,CSc1ccc(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1OCc1ccccc1,BCGIVUIMZPCPRZ-UHFFFAOYSA-N
rxn:4:222144:224736,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(C(F)(F)F)cc2OCC(C)C)cc1,SRTIGNNTEWEHLG-UHFFFAOYSA-N
rxn:4:222195:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1cccc(Cn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1,UZBBAIPNNPHLNK-UHFFFAOYSA-N
rxn:4:222195:222623,CCC(C)c1cc(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)cc(C2CCNCC2)n1,NAGFTWIGMWXZMY-UHFFFAOYSA-N
rxn:4:222195:223598,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3ccc(OCCN4CCC5(CC4)OCCO5)c(F)c3)c2)CC1,HKFAKRFOVVZDOE-UHFFFAOYSA-N
rxn:4:222362:223515,Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cc1,WXBYDZZJRBAHHI-UHFFFAOYSA-N
rxn:4:222363:222758,Cc1cc(CN2CCN(c3c(-c4ccc(NC(=O)OC(C)(C)C)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CLKFYAPSOGBLKD-UHFFFAOYSA-N
rxn:4:183978:222423,COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2)cc1,CDJPNCJOHDTBKK-UHFFFAOYSA-N
rxn:4:184241:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccc(F)cc2)N(CCCOC(C)C)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QWRCQIHJPPVHPY-UHFFFAOYSA-N
rxn:4:199593:222423,COc1c(-c2cc([N+](=O)[O-])ccc2OCCN2CCC(OC)CC2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,JELWGWBZLVYTEW-UHFFFAOYSA-N
rxn:4:199983:222742,CCCCN1C(=O)C(=C2C(=O)N(CCCC)c3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc32)SC1=S,YFLYVCQXYHHNFI-UHFFFAOYSA-N
rxn:4:200589:222389,COc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)C2)cc1F,PCEDJZZLJVTDFF-UHFFFAOYSA-N
rxn:4:202729:222423,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,SWPDLEOJMWEDAU-UHFFFAOYSA-N
rxn:4:212750:222438,CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)ccc2Cl)cc1N1CCCCC1,WAAWTOHYEOUJMY-UHFFFAOYSA-N
rxn:4:212832:224182,CCC1CCCCN1C(=O)CSc1nc2c(c(=O)n1-c1ccc(-c3ccc(OCCN4CCOCC4)c(C)c3)cc1)SCC2,JWICWLZBLFXGDC-UHFFFAOYSA-N
rxn:4:213448:222714,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cc(NC(=O)OC(C)(C)C)cc(F)c5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,DITSYRKPEAAXST-UHFFFAOYSA-N
rxn:4:213448:224655,COc1ccc(C2CC(c3c(C)nc4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)cc5F)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,OPZUGCKDBFZJBZ-UHFFFAOYSA-N
rxn:4:213449:222524,COc1ccccc1C1CC(c2c(C)nc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC(O)CC4)cc3c2-c2ccccc2)=NN1C(C)=O,YQWVPJCXHRRUMD-UHFFFAOYSA-N
rxn:4:213451:222729,CCCc1cc(-c2ccc3c(c2)C(=C2SC(=Nc4ccc(CC)cc4)N(c4ccc(CC)cc4)C2=O)C(=O)N3CC)cc(C2CCCNC2)n1,DIJPSVLJGZCKAG-UHFFFAOYSA-N
rxn:4:213475:223657,COc1cc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccncc23)ccc1[C@@H]1c2ccc3c(cnn3C3CCCCCO3)c2C[C@@H](C)N1CC(F)(F)F,BNASRZWGVMKNMW-MXBZJWHDSA-N
rxn:4:213481:222700,COC12CC(COC(=O)c3cncc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)c3)CN(C)C1Cc1cn(C)c3cccc2c13,CWYPEEWRVKITEB-UHFFFAOYSA-N
rxn:4:219061:222423,COc1c(-c2cnc(OC3CCCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DJUFLOMWQMEKHY-UHFFFAOYSA-N
rxn:4:219189:222776,COc1ccc(-c2ccc(CN3CCC(O)CC3)cc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,ZVFSMFOZESVXFK-UHFFFAOYSA-N
rxn:4:219746:223743,Cc1cccc(Cn2c(=O)c3c(nc(-c4ccc(C)c(OCCCN5CCC(C)CC5)c4)n3Cc3ccccc3Cl)n(C)c2=O)c1,MFBQFQNKNVUWSD-UHFFFAOYSA-N
rxn:4:221252:222725,CCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(CN4CCCCC4CC)nc4c3c(=O)n(C)c(=O)n4C)cc2)c(C(F)(F)F)c1,CZGXBOOJZOVOMI-UHFFFAOYSA-N
rxn:4:221252:223533,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2F)cc1,UCRIYDXIIRJKKJ-UHFFFAOYSA-N
rxn:4:221252:223930,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc3cnn(C(=O)OC(C)(C)C)c3cc2C)cc1,ZGOMZNBACDXGJD-UHFFFAOYSA-N
rxn:4:221573:222423,COc1c(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5Cc4ccccc4)n(C)c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CYQLBOFHOQVEAD-UHFFFAOYSA-N
rxn:4:221778:222855,COc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)cc2)cc(C2CCCNC2)c1,FDTUDPBOKVJEKM-UHFFFAOYSA-N
rxn:4:221791:225592,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1,DCQIAPSOAVIARI-UHFFFAOYSA-N
rxn:4:221995:223578,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,LJSSASMCXLHYPD-UHFFFAOYSA-N
rxn:4:221995:226036,COc1c(F)cc(C(F)(F)F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,UFQNKEJRFBSFCQ-UHFFFAOYSA-N
rxn:4:222134:223474,COc1ccc(-c2nnc3n(Cc4ccc(-c5ccc(OCc6ccccc6)c(C67CC8CC(CC(C8)C6)C7)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,AAUGTKHLAYGHSQ-UHFFFAOYSA-N
rxn:4:222195:223755,CC1CCN(CCCOc2ccc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)cc2F)CC1,AYZYOPUTRZURFQ-UHFFFAOYSA-N
rxn:4:222262:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3cc(-c4noc(Cn5cnc6c(nnn6Cc6cccc(F)c6)c5=O)n4)ccc3F)c2)CC1,GZRBSSWEXHPEFH-UHFFFAOYSA-N
rxn:4:222353:223682,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6c(C(F)(F)F)ccc7c6cnn7C6CCCCO6)cc5)c(C)nn43)c2=O)[nH]1,IUBWGTYHRUOMCV-UHFFFAOYSA-N
rxn:4:222362:222786,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)cc(NC(=O)OC(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,LMAMICQPKARYAQ-UHFFFAOYSA-N
rxn:4:222362:224254,CC1CCCN(C(=O)c2cc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)ccc2F)C1,IPHMOKJCPODYBH-UHFFFAOYSA-N
rxn:4:222362:225348,COC(=O)c1ccc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,GSXXMWBNWVYJOZ-UHFFFAOYSA-N
rxn:4:222363:223556,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)c4ccccc4n5C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WFHDUPYGNMOLFH-UHFFFAOYSA-N
rxn:4:222363:224589,Cc1cc(CN2CCN(c3c(-c4ccc(F)cc4CN4CCC(C)CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,COMFPBBBMBQTMO-UHFFFAOYSA-N
rxn:4:222387:222602,CC(C)Cc1cc(-c2cnc(N3CCOC(Cn4nnc5ncc(-c6cnn(C)c6)nc54)C3)nc2)c(S(=O)(=O)NC(C)(C)C)s1,KKHGCNARCBXDQT-UHFFFAOYSA-N
rxn:4:222539:222363,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)CC(NC(=O)OC(C)(C)C)C5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,WSXDZXYNKCNNJR-UHFFFAOYSA-N
rxn:4:207827:222423,COc1c(-c2ccc(N3C(=O)N(c4cccc(Cl)c4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GGGKLRCECFWYPE-UHFFFAOYSA-N
rxn:4:209777:222423,COc1c(-c2ccc(N3CCCC(F)(F)C3)cn2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,COWISMXENJYUCM-UHFFFAOYSA-N
rxn:4:212839:223698,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4ccc(OC(F)(F)F)c(S(=O)(=O)N5CCCC5)c4)ccn23)CC1,XWPPLNXGCLLDSV-UHFFFAOYSA-N
rxn:4:213451:223138,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccnc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,LCSCMKMPCUVPAJ-UHFFFAOYSA-N
rxn:4:214251:222423,COc1c(-c2ccc(Cn3c(=O)n(Cc4ccc(F)cc4)c(=O)c4ncccc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZEZVGNVPDYTWIT-UHFFFAOYSA-N
rxn:4:214362:223530,CCn1cc(-c2nc(-c3ccc(-c4cc(F)ccc4CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,KHTRXGXPAYBWIC-UHFFFAOYSA-N
rxn:4:215310:223725,CCCCCc1ccc(-c2ccc(-c3ccc(C4C5=C(OC(C)=O)c6ccccc6C5=Nc5c4c(=O)n(C)c(=O)n5C)cc3)c(F)c2)cc1,GIAIHMKJHDUKGA-UHFFFAOYSA-N
rxn:4:218694:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(-c3nccs3)c(C(=O)N3C[C@H](Oc4nccc(C#N)c4C)CC[C@H]3C)c2)CC1,SVYUMIWRJWNQTE-QDPGVEIFSA-N
rxn:4:218716:222423,COC(=O)Cn1c(=O)c2c(nc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)n2CC(=O)OC)n(C)c1=O,YYBOWXCZFZOUPP-UHFFFAOYSA-N
rxn:4:219780:223754,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCCCN6CCC(C)CC6)c(Cl)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,CVVPAJGCRBVJGW-UHFFFAOYSA-N
rxn:4:219780:223760,COc1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)c(OC)cc1OCc1ccccc1,GPFZGMJAIZNGDI-UHFFFAOYSA-N
rxn:4:221252:222456,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1,VWGHOBKMFSPXNA-UHFFFAOYSA-N
rxn:4:221252:223682,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2c(C(F)(F)F)ccc3c2cnn3C2CCCCO2)cc1,AITAIPCVIFUGJS-UHFFFAOYSA-N
rxn:4:221570:222850,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)ccc4C#N)cc3)c(=O)n2C)c1,ISPZVYHILSQPKS-UHFFFAOYSA-N
rxn:4:221571:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)CC1,DODMPJGEZJXKHN-UHFFFAOYSA-N
rxn:4:221766:222701,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3)c(=O)n2C)cc1,SGJZBQJNYMKWSK-UHFFFAOYSA-N
rxn:4:221770:224015,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCOCC5)c(C)cc4F)cc3)c(=O)n2C)c1,NGVBOTMDMCQSNY-UHFFFAOYSA-N
rxn:4:221784:222702,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)n(C)c2=O)c1,PAXRVTUHCVRDNL-UHFFFAOYSA-N
rxn:4:221789:222700,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4ccc(C(F)(F)F)cc4C4CCCNC4)cc3)n(C)c2=O)cc1,WXPSTAMAAGYWGW-UHFFFAOYSA-N
rxn:4:221794:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3ccc4nc(SCc5cc(=O)n6cc(Cl)ccc6n5)n5c6ccccc6nc5c4c3)cc2C)CC1,GKUSHBOMNQGRGY-UHFFFAOYSA-N
rxn:4:221928:222615,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(CC(C)C)cc(C5CCNCC5)c4)ccc3OC)nnc12,UPJIPJIUQJWUJX-UHFFFAOYSA-N
rxn:4:221986:223604,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)cc2)CC1,LCHAHUOEJSNXMZ-UHFFFAOYSA-N
rxn:4:221990:224011,COc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)c(F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,QLMDIQCXENIKSS-UHFFFAOYSA-N
rxn:4:221991:222466,Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)cc3)nnc1n2CCCc1ccccc1,MUXKQHZWOPCARE-UHFFFAOYSA-N
rxn:4:222195:223488,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(-c3cc4cc(Oc5ccccc5)ccc4n3C(=O)OC(C)(C)C)c2)CC1,MODDSOJJEYSLHE-UHFFFAOYSA-N
rxn:4:222207:223744,CCCCOc1c(C)cccc1-c1ncccc1-c1ccc(-c2nnc3n(Cc4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,BKGQIOJOPJEBFW-UHFFFAOYSA-N
rxn:4:222362:223244,COc1cc2[nH]ncc2cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,KDQRPXIXDJUYBP-UHFFFAOYSA-N
rxn:4:222362:227078,COc1ccc(C2CC2)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,GFTFYMSSBOLZOL-UHFFFAOYSA-N
rxn:4:222363:228631,Cc1cc(CN2CCN(c3c(-c4ccsc4C4CCC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QLLKPXLZFHLOMS-UHFFFAOYSA-N
rxn:4:184239:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccc(Cl)c2)N(CCCOC(C)C)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GFLVQSYTXDHZRR-UHFFFAOYSA-N
rxn:4:200021:222624,CCCCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)ccc21,BCIXIJGUJSZKDA-UHFFFAOYSA-N
rxn:4:200060:223530,COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(-c3cc(F)ccc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CCCC4)cc1,OPWWXDFPZICRNG-UHFFFAOYSA-N
rxn:4:201184:223762,COC(=O)c1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2)N(CCCN2CCOCC2)C4=O)c(C)n(Cc2ccccc2)c1C,SUTDRXSNONQYLS-UHFFFAOYSA-N
rxn:4:201186:222465,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,CKVIIRWWJMZZFG-UHFFFAOYSA-N
rxn:4:202747:222628,COc1cc(-c2cc(C3CCC3)nc(C3CCCNC3)c2)cc2cc(C(=O)N3CCN(c4ccccc4C)CC3)c(=O)oc12,DODRWNUYLMTHHR-UHFFFAOYSA-N
rxn:4:207910:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2cccc(F)c2)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XCPJWQFXTJTVAW-UHFFFAOYSA-N
rxn:4:213451:224359,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(C(=O)N(CC)CC)cc([N+](=O)[O-])c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SBQUUOGBEIFTGI-UHFFFAOYSA-N
rxn:4:214303:223570,CC(C)N1C(=O)C(=Cc2c(Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)nc3ccccn3c2=O)SC1=S,FDBNYNITGZHYJW-UHFFFAOYSA-N
rxn:4:219155:222423,COc1c(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(C)cn4)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IWKCZXWOAULGKW-UHFFFAOYSA-N
rxn:4:219780:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)c1,MQSGECIRVGWRDN-UHFFFAOYSA-N
rxn:4:220156:222423,COc1c(-c2ccc(C3Cn4nnc(C(=O)N5CCSCC5)c4CO3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,TTZVEDKJLJBOMN-UHFFFAOYSA-N
rxn:4:221252:223666,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cccc(COc3ccc(OC(F)(F)F)cc3)c2)cc1,LMPHZDLISPEUSO-UHFFFAOYSA-N
rxn:4:221252:223956,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(N(Cc3ccccc3)[SH](=O)=O)cc2)cc1,NJNGOBRVRPSVOI-UHFFFAOYSA-N
rxn:4:221766:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4)n(C)c3=O)cc2)c(C(F)(F)F)c1,XXURNDSKEUJWST-UHFFFAOYSA-N
rxn:4:221777:224391,Cc1cc(S(=O)(=O)N2CCOCC2)ccc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)cc1,HRAKMEMWOGQFOI-UHFFFAOYSA-N
rxn:4:221782:222847,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c(C)c1,YSSUOXHEPFICGD-UHFFFAOYSA-N
rxn:4:221790:225177,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(CN4CCSCC4)c(F)c3)cc2)n(C)c1=O,BBRVTMJOTUMQFI-UHFFFAOYSA-N
rxn:4:221791:222486,Cn1c(=O)n(Cc2cccc3ccccc23)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1,HDUXTGRSDDKAHY-UHFFFAOYSA-N
rxn:4:221928:225213,CCOCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4ccc(N5CCN(C)CC5)cc4Cl)ccc3OC)nnc12,MTJTWIJAWCLQNH-UHFFFAOYSA-N
rxn:4:222195:223569,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)cnc21,NYKHEVVGJHAMTG-UHFFFAOYSA-N
rxn:4:222195:223651,Cc1nc(C2CCN(C(=O)OC(C)(C)C)C2)ccc1-c1cccc(Cn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1,DMPCKNQNULFHHI-UHFFFAOYSA-N
rxn:4:222205:222624,Cc1ccc(-c2nnc3n(Cc4ccc(-c5cc(CC(C)C)nc(C6CCNCC6)c5)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,QUGSXCXNTVHHAG-UHFFFAOYSA-N
rxn:4:222271:222389,Cc1ccccc1Cn1nnc2c(=O)n(Cc3nc(-c4ccc(F)c(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)c4)no3)cnc21,UPVZBKSFMBMTQS-UHFFFAOYSA-N
rxn:4:222362:222713,COc1ccc(S(=O)(=O)NC(C)(C)C)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,ZLKGBSQFQWCMHU-UHFFFAOYSA-N
rxn:4:222362:223669,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(N7CCN(C(=O)OC(C)(C)C)CC7)nc6)cc6[nH]ncc56)nn4)cn3c2)CC1,ROOKTMSVACQXRE-UHFFFAOYSA-N
rxn:4:222362:223952,CN1CCN(CCOc2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2Cl)CC1,HUVGGZYMZBQDKN-UHFFFAOYSA-N
rxn:4:222362:224302,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(Cl)c(O[Si](C)(C)C(C)(C)C)c6F)cc6[nH]ncc56)nn4)cn3c2)CC1,GSJAPHINCIKHPV-UHFFFAOYSA-N
rxn:4:222362:225177,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(CN7CCSCC7)c(F)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,PYGPDTKFZXIJGZ-UHFFFAOYSA-N
rxn:4:222362:227151,Cc1cc2cnn(C)c2cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,PAUJTKBZANMAKQ-UHFFFAOYSA-N
rxn:4:222363:223950,Cc1cc(CN2CCN(c3c(-c4cnc(OCc5ccccc5)nc4N(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XBENVTUEXKCJHZ-UHFFFAOYSA-N
rxn:4:222363:224242,Cc1cc(CN2CCN(c3c(-c4ccc(OCc5ccc(Cl)cc5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GIKRWFMGNPHFOL-UHFFFAOYSA-N
rxn:4:222363:228424,COc1cc(F)c(Cl)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,OILPLJHZOARZNU-UHFFFAOYSA-N
rxn:4:222363:228644,Cc1cc(CN2CCN(c3c(-c4cc(C)c(F)c(C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YSNDMZGHMQVTGN-UHFFFAOYSA-N
rxn:4:222539:222362,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc7c(c6)CC(NC(=O)OC(C)(C)C)C7)cc6[nH]ncc56)nn4)cn3c2)CC1,SPDQVVVLANSOJC-UHFFFAOYSA-N
rxn:4:201187:223557,CCCOc1cccc(C2c3c(oc4ccc(-c5c(F)ccc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,YLLFKUGVQPUFFN-UHFFFAOYSA-N
rxn:4:204738:222389,CCCN1C(=O)C(=C2SC(=S)N(C(C)C)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,CGEITSJRDAOAAK-UHFFFAOYSA-N
rxn:4:204857:222423,COc1c(-c2ccc(CN3C(=O)N(c4ccc(C)c(C)c4)S(=O)(=O)c4ccccc43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LDCOXEIOLZWUDJ-UHFFFAOYSA-N
rxn:4:212749:222438,CC1CN(Cc2ccc(-c3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4F)ccc3Cl)cc2N2CCCCC2)CCN1C(=O)OC(C)(C)C,UZTWFZRGEJTGSJ-UHFFFAOYSA-N
rxn:4:212756:222602,COCCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)ccc21,UIAZUQFQAUYBBL-UHFFFAOYSA-N
rxn:4:213448:224651,COc1ccc(C2CC(c3c(C)nc4ccc(-c5c(F)cccc5O[Si](C)(C)C(C)(C)C)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,GXPUHXOOBFPKLB-UHFFFAOYSA-N
rxn:4:213451:222956,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(C)cc5C5CCCNC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HVYGQQOAIYGBQN-UHFFFAOYSA-N
rxn:4:213451:225172,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(CN6CCOCC6)ccc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SCHRBBABEQIOOI-UHFFFAOYSA-N
rxn:4:213451:225261,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cccc(S(=O)(=O)N(CC)CC)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,SFHHAXGCGKYNOP-UHFFFAOYSA-N
rxn:4:214386:222466,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(C7CCCCC7)nc(C7CCNCC7)c6)cccc5c4C3)n(C)c2c1,LPHLRALEGWPQMF-UHFFFAOYSA-N
rxn:4:214386:223534,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(OC7CCN(C(=O)OC(C)(C)C)CC7)ncc6F)cccc5c4C3)n(C)c2c1,YQQRNJIOTOETFM-UHFFFAOYSA-N
rxn:4:219039:223841,Cc1cc(F)c(-c2cnccc2OC2CCN(C(=O)c3cnn(-c4ccccc4)c3C)C2)cc1S(=O)(=O)N1CCN(C)CC1,WYKRZYQVMJXIQK-UHFFFAOYSA-N
rxn:4:219203:222423,COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2-n2c(C)cnc21,YJTWJJYSSGLFBV-UMSFTDKQSA-N
rxn:4:219780:223682,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(C(F)(F)F)ccc6c5cnn6C5CCCCO5)c(C(F)F)cc43)nn2C2CCOCC2)C1,IAZIDDADVILDNO-UHFFFAOYSA-N
rxn:4:219780:223753,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)c(OCCCN6CCN(C)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,HERQFWXLODBYHE-UHFFFAOYSA-N
rxn:4:221252:222612,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2F)cc1,UXXUMSDBEDOMNH-UHFFFAOYSA-N
rxn:4:221252:223641,CCc1cc2c(cc1F)cc(-c1ccc(Cn3c(CN4CCCCC4CC)nc4c3c(=O)n(C)c(=O)n4C)cc1)n2C(=O)OC(C)(C)C,JXKZBEXOCIEGSN-UHFFFAOYSA-N
rxn:4:221269:223527,CCOC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3ccc(F)cc3CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)n(C)c1=O,LYJJKILAGMODRW-UHFFFAOYSA-N
rxn:4:221571:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CC=Cc4ccccc4)c(=O)n3C)cc2)c(F)cc1C,FBBKVBAYIYTHLT-UHFFFAOYSA-N
rxn:4:221575:224018,CC1CN(c2ccc(-c3cc(F)c(F)cc3S(=O)(=O)N3CCOCC3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,LPTKRGNDOAHGLS-UHFFFAOYSA-N
rxn:4:221760:224667,CN1CCN(Cc2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5ccccc5F)c(=O)n4C)cc3)ccc2Cl)CC1,NCSHXJIYZLDJAK-UHFFFAOYSA-N
rxn:4:221785:222847,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,JZEIJEUNDOZNRB-UHFFFAOYSA-N
rxn:4:221793:223137,CC1CN(c2ccc(-c3cncc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,BQACYULQHVUYFI-UHFFFAOYSA-N
rxn:4:221793:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)cc3)c2)CC1,CFDKXPZRXSFWES-UHFFFAOYSA-N
rxn:4:222144:222996,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(F)cc2C2CCCNC2)cc1,POUJMUODIABUBD-UHFFFAOYSA-N
rxn:4:222144:225335,CCOc1cc(OC(F)(F)F)ccc1-c1ccc(-n2c(C)c(C)n3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1,IORCVVVYVLRPQO-UHFFFAOYSA-N
rxn:4:222206:222628,Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc2)n(C)c1=O,HCHOEVJFAABGDJ-UHFFFAOYSA-N
rxn:4:222244:222462,CC(C)(C)OC(=O)Nc1nc2cc(F)c(-c3ccc(-n4cnnn4)c(C(=O)N4CCN(CCc5ccccn5)CC4)c3)c(F)c2s1,YWXMCJWRRCWLMS-UHFFFAOYSA-N
rxn:4:222362:222531,Cc1ccc(NC(=O)c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)cc2)c(C)c1,JLIVHQHLQWGHDG-UHFFFAOYSA-N
rxn:4:222362:223751,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc(CN7C(=O)c8ccccc8C7=O)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,QCWILHKOTMCMGI-UHFFFAOYSA-N
rxn:4:222362:224189,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)ccc1O[Si](C)(C)C(C)(C)C,WKHZDWDFPHPNEK-UHFFFAOYSA-N
rxn:4:222362:224190,COc1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1O[Si](C)(C)C(C)(C)C,SQYIHEIYFRDBIU-UHFFFAOYSA-N
rxn:4:222363:222759,Cc1cc(NC(=O)OC(C)(C)C)cc(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,ZSHHHBNBQWTFOB-UHFFFAOYSA-N
rxn:4:222855:212839,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(OC)cc(C5CCCNC5)c4)ccn23)CC1,HQWNHBSDCCVXLN-UHFFFAOYSA-N
rxn:4:184268:222423,COc1c(-c2ccc(OCCC(F)(F)F)c(C#N)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FJYPATAKMUCBBI-UHFFFAOYSA-N
rxn:4:188016:222423,COc1cccc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2Cc2ccco2)c1,KZNXQVBJAWOCSR-UHFFFAOYSA-N
rxn:4:201183:222537,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3cc(C4CCCC4)nc(C4CCCNC4)c3)cc2)N1CCCN1CCOCC1,HIVMXMDURKLZHC-UHFFFAOYSA-N
rxn:4:202703:222742,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CC4)c3)ccc21,UFKUDJYQIDZFBN-UHFFFAOYSA-N
rxn:4:203513:222423,COc1c(-c2cnc(OCC3CCOCC3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AWMOJFYLNNDLQK-UHFFFAOYSA-N
rxn:4:212751:222526,CC1CN(c2cc(CN3CCC(F)(F)CC3)cc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c2)CCN1C(=O)OC(C)(C)C,GESJXPHXYWNKBC-UHFFFAOYSA-N
rxn:4:212850:222423,CCCn1c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2c2nc3cc(OCC)c(OCC)cc3nc21,SLVRKQUNZKVDNR-UHFFFAOYSA-N
rxn:4:213451:222587,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(NCc6ccccc6)cc([N+](=O)[O-])c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,MIWYKMPQVXABOB-UHFFFAOYSA-N
rxn:4:214388:225813,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)c(OC(C)C)c(F)c4C)c(OC)cc12)CC3,OGSUPWTXDJRJQL-UHFFFAOYSA-N
rxn:4:215308:222423,COc1c(-c2ccc3c(c2)C2C(C3)OCc3n[n+](-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cn32)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MBGRETYCIASACD-UHFFFAOYSA-N
rxn:4:219780:222772,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(Cl)c(C(=O)NC6CCCC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,HURFIERVFCNQFK-UHFFFAOYSA-N
rxn:4:219780:223519,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,KLIDNRSKQXVEHL-UHFFFAOYSA-N
rxn:4:219780:223587,COc1cc(COc2ccc(F)c(-c3cc4c(cc3C(F)F)N(c3nn(C5CCOCC5)c5c3CN(C(C)=O)CC5)CCC4)c2F)cc(OC)c1,FINLTAUEAOHRFQ-UHFFFAOYSA-N
rxn:4:219780:223963,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(F)ccc(OCc6ccccc6Cl)c5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,FWDZSFOBBMAZPQ-UHFFFAOYSA-N
rxn:4:219780:224461,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-c6ccccn6)cc(C6CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,MLNOAKGMCRGTLX-UHFFFAOYSA-N
rxn:4:219780:224500,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(OCc6ccccc6)c(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OHMRANKEEMPNPK-UHFFFAOYSA-N
rxn:4:219780:224577,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CC6)cc(-n6cnc(C)c6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,NKSLJIPWHPLYFN-UHFFFAOYSA-N
rxn:4:219780:224583,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-c6ccncn6)cc(C6CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VCRWGORUEALAME-UHFFFAOYSA-N
rxn:4:219780:224668,CCN1CCN(c2cc(F)cc(-c3cc4c(cc3C(F)F)N(c3nn(C5CCOCC5)c5c3CN(C(C)=O)CC5)CCC4)c2)CC1,QFNVWEHTWMNYPJ-UHFFFAOYSA-N
rxn:4:221252:222848,CCc1cc(-c2ccc(Cn3c(CN4CCCCC4CC)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C2CCCNC2)n1,FPNAYZULCNDVBI-UHFFFAOYSA-N
rxn:4:221538:222622,CCC(C)c1cc(-c2ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C2CCCNC2)n1,XTRXSRVECBMBDO-UHFFFAOYSA-N
rxn:4:221570:222957,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C)cc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,UQYPTEOHYOPNKU-UHFFFAOYSA-N
rxn:4:221572:223692,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(OCc4cccnc4)c(Cl)cc3C(F)(F)F)cc2)n(C)c1=O,VANOSFCTYGTZPA-UHFFFAOYSA-N
rxn:4:221575:224402,CCN(CC)S(=O)(=O)c1cc(F)c(F)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,LLEHEPPCYYGKNO-UHFFFAOYSA-N
rxn:4:221768:223814,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(CN5CCC6(CC5)OCCO6)cc4F)cc3)c(=O)n2C)cc1C,RRHXHXXQYXGEJI-UHFFFAOYSA-N
rxn:4:221788:224662,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN4CCN(C)CC4)cc3)c(=O)n2C)cc1,MTYNOQXIBZYOJZ-UHFFFAOYSA-N
rxn:4:221790:223007,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(C4CCNCC4)c3)cc2)n(C)c1=O,IADXPPXVHSHFEJ-UHFFFAOYSA-N
rxn:4:221929:224667,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(Cl)c(CN6CCN(C)CC6)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,QMPVTSMCDHZBKZ-UHFFFAOYSA-N
rxn:4:222363:224142,Cc1ccc(OCc2ccccc2Cl)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,UOAWSTQTOMHHTJ-UHFFFAOYSA-N
rxn:4:222363:224161,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,SYOXPZSAKIZWAW-UHFFFAOYSA-N
rxn:4:222855:222362,COc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)c1,HXJAJBJCJJAACK-UHFFFAOYSA-N
rxn:4:181801:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(F)c(F)c(-c2c(F)c(F)c(F)c(F)c2F)c(F)c1F,IAHDIIKUMHDOGY-UHFFFAOYSA-N
rxn:4:199964:222730,CCCc1cc(-c2ccc3c(c2)C(=C2SC(=S)N(CCCOC)C2=O)C(=O)N3CCC)cc(C2CCNCC2)n1,NQRGRKOISUOJJX-UHFFFAOYSA-N
rxn:4:200053:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C4c5c(oc6cc(OC)ccc6c5=O)C(=O)N4CCCN(C)C)c3)c(F)cc2C)CC1,RHXRVYIOKJLLST-UHFFFAOYSA-N
rxn:4:201188:222389,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)C3c1cccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)c1,WUIOUWAZCRJEFL-UHFFFAOYSA-N
rxn:4:204776:222423,COc1c(-c2ccc(N3C(=O)N(c4cccc(C(F)(F)F)c4)C4CS(=O)(=O)CC43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XEGXTKBFWUBZGG-UHFFFAOYSA-N
rxn:4:212741:224007,CC(C)COc1cc(OC(F)(F)F)cc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)C(C)C3)c(N3CCCC3)c2)c1F,KNZYVXTWBMYUBF-UHFFFAOYSA-N
rxn:4:213405:222718,Cc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1,WSZXDYOXRGJKMR-UHFFFAOYSA-N
rxn:4:214253:223570,CCN1C(=O)C(=Cc2c(Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)nc3ccccn3c2=O)SC1=S,VSVAQMACXLEYJD-UHFFFAOYSA-N
rxn:4:219780:223511,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6c(ccn6-c6ccc(-c7ccccc7)cc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VMPIYPZCZCAIQX-UHFFFAOYSA-N
rxn:4:219780:223559,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6c(c5)C(C)=CC(C)(C)N6C(=O)OC(C)(C)C)c(C(F)F)cc43)nn2C2CCOCC2)C1,GXAVOTWUFXFUMV-UHFFFAOYSA-N
rxn:4:219780:223626,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,KAEKBTAQGDUEKH-UHFFFAOYSA-N
rxn:4:219780:223715,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(COc6cccc7ccccc67)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VWEVPJUYNYXUEX-UHFFFAOYSA-N
rxn:4:219780:223909,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(=O)OCc6ccccc6)c(F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,UVVKITPUXYJDPC-UHFFFAOYSA-N
rxn:4:219780:224200,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(OCc6cccnc6)c(Cl)cc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,FBBAGSMZTVGRIJ-UHFFFAOYSA-N
rxn:4:219780:224579,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-n6cnc(C)c6)ccc5C5CC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,FVMZKSZZIBLJER-UHFFFAOYSA-N
rxn:4:219780:224745,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C(=O)OC(C)(C)C)c(Cl)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,XMEWEKVXBUWSAM-UHFFFAOYSA-N
rxn:4:219780:225143,COc1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)ccc1-n1cnc(C)c1,ZBQPWQCRVBBSGT-UHFFFAOYSA-N
rxn:4:219780:226188,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C)c([Si](C)(C)C)cc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,QHXVNRQBVUMOAK-UHFFFAOYSA-N
rxn:4:221257:223570,COC(=O)Cn1c(C)cn2c3c(=O)n(Cc4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)c(=O)n(C)c3nc12,VEQWSLJPHBFGSQ-UHFFFAOYSA-N
rxn:4:221562:222621,CC(C)Cc1cc(-c2ccc(COc3cccc(N4CCn5c4nc4c5c(=O)n(C)c(=O)n4C)c3)cc2)cc(C2CCCNC2)n1,NGGBUKCVOVTTGE-UHFFFAOYSA-N
rxn:4:221776:223006,CC1CN(c2ccc(-c3ccc(F)c(C4CCNCC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C1,HKPXLDWFBCCZGS-UHFFFAOYSA-N
rxn:4:221782:222623,CCC(C)c1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCNCC2)n1,WIBJSGWHHMKLQI-UHFFFAOYSA-N
rxn:4:221790:225593,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(CN4CCCC4)c3)cc2)n(C)c1=O,PNMBSBKPEBLGBP-UHFFFAOYSA-N
rxn:4:222133:222389,Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)nnc1n2CCc1ccccc1,YSQCJOUALWGEPL-UHFFFAOYSA-N
rxn:4:222142:224631,Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2OCc2ccncc2)cc1,MMWAIXDJJYTATL-UHFFFAOYSA-N
rxn:4:222277:222461,CC(C)(C)OC(=O)Nc1nc2c(-c3cccc(C(=O)N4CCN(c5ncnc6c5nnn6Cc5ccccc5)CC4)c3)c(F)cc(F)c2s1,WJOQIXCNDGRKKH-UHFFFAOYSA-N
rxn:4:222362:222500,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C(=O)NCc7ccc(F)cc7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,ITVUBPPGADSYKM-UHFFFAOYSA-N
rxn:4:222362:227282,CC(C)c1ncc(C#N)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,REBIKZSFQFMDRB-UHFFFAOYSA-N
rxn:4:222363:224020,Cc1cc(CN2CCN(c3c(-c4ccc5ccc6cccc7ccc4c5c67)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,YNQAKEXNQHNDEZ-UHFFFAOYSA-N
rxn:4:222363:224226,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(OCc5ccccc5)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DHOHAXLIWDFKFS-UHFFFAOYSA-N
rxn:4:222363:224852,Cc1cc(C)cc(-c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)cc2)c1,VBCDCPMAQYRWQL-UHFFFAOYSA-N
rxn:4:222999:222363,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cc(C5CCCNC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QLLXNODBDRLINP-UHFFFAOYSA-N
rxn:4:192580:222423,COc1c(-c2cnc(OC3CCSC3)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,DYSPGXCNCYXBNQ-UHFFFAOYSA-N
rxn:4:200007:222466,CCCCCN1C(=O)C(=C2SC(=S)N(CC(C)C)C2=O)c2cc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)ccc21,OILNRLSWCIQJRY-UHFFFAOYSA-N
rxn:4:200032:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4c(c3)C(=C3SC(=S)N(CCc5ccc(OC)c(OC)c5)C3=O)C(=O)N4CC)c(F)cc2C)CC1,CSNRLMKEYIVENV-UHFFFAOYSA-N
rxn:4:201188:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C4c5c(oc6cc(OC)ccc6c5=O)C(=O)N4CCN4CCOCC4)c3)c(F)cc2C)CC1,RAMKKXMCEJTIQU-UHFFFAOYSA-N
rxn:4:202800:223694,CC#Cc1cc2c(c(F)c1-c1cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc1F)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,XZKCFMZCOZBNCB-RUZDIDTESA-N
rxn:4:207909:222423,COc1c(-c2ccc3oc4c(c(=O)c3c2)C(c2ccccc2F)N(c2cc(C)on2)C4=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HBNFSUVDHBLBEI-UHFFFAOYSA-N
rxn:4:212722:222423,COc1c(-c2ccc(CN(C(=O)N3CCN(C)CC3)S(=O)(=O)c3ccc(C)cc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,WTHOSSCVVCRWAO-UHFFFAOYSA-N
rxn:4:212744:223743,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1OCCCN1CCC(C)CC1,ARSBSGMWUIBJCG-UHFFFAOYSA-N
rxn:4:212748:222533,Cc1ccc(C)c(NC(=O)c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2)c1,DMSHQSWRIFMLFW-UHFFFAOYSA-N
rxn:4:213445:223995,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(N7CCN(C)CC7)cc(C(F)(F)F)c6)c(OC)ccc5c4)nc23)cc1OC,GLAOLUFLBXXRSY-UHFFFAOYSA-N
rxn:4:213451:222776,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(CN6CCC(O)CC6)cc5F)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HARNMJTWZWXNPD-UHFFFAOYSA-N
rxn:4:216333:222389,Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc23)cc1,YDMYJHCGKLWYEJ-UHFFFAOYSA-N
rxn:4:219780:222700,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,DGEVEIMVARXWJO-UHFFFAOYSA-N
rxn:4:219780:222702,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CCCNC6)ccc5C(F)(F)F)c(C(F)F)cc43)nn2C2CCOCC2)C1,AKZRZDKLPPYQSK-UHFFFAOYSA-N
rxn:4:219780:223478,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,JBQNXYFXJDKJRI-UHFFFAOYSA-N
rxn:4:219780:223907,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(=O)OCc6ccccc6)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,LUVUEUFUTXPQTD-UHFFFAOYSA-N
rxn:4:219780:224505,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCc6ccccc6)nc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,BVNWGEYJLVHHSD-UHFFFAOYSA-N
rxn:4:219780:224574,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-n6cc(C)cn6)ccc5C5CC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,GWKVMTGTJIRXAW-UHFFFAOYSA-N
rxn:4:219780:224578,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-c6cnccn6)cc(C6CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,YPHVAFNPIAQXJA-UHFFFAOYSA-N
rxn:4:219780:224580,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-n6ccnc6C)ccc5C5CC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,XAIRZEMLFCVLIR-UHFFFAOYSA-N
rxn:4:219780:224744,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)c(C(=O)OC(C)(C)C)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,XWROCAVSWHSNJY-UHFFFAOYSA-N
rxn:4:219780:225188,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(Cl)c(CN6CCOCC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,UXECREFIIAULNV-UHFFFAOYSA-N
rxn:4:221252:224067,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(-c3cccnc3)cc(C(C)(C)C)c2)cc1,LAHIJLBUCIHCGE-UHFFFAOYSA-N
rxn:4:221767:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCn4c3nc3c4c(=O)n(Cc4cc(C)ccc4C)c(=O)n3C)cc2)c(F)cc1C,GNDHXAJSFUKGNS-UHFFFAOYSA-N
rxn:4:221784:224639,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cnc(F)c(OCc5ccccc5)c4)cc3)n(C)c2=O)c1,KCVOQKDYSSJVLE-UHFFFAOYSA-N
rxn:4:221789:222847,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)n(C)c2=O)cc1,VMGBILNRVIYXCH-UHFFFAOYSA-N
rxn:4:221792:222701,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(Cc4ccc(-c5cc(C6CCCNC6)cc(C(F)(F)F)c5)cc4)c(=O)n3C)n2C1,VUMWHFLAHURCQL-UHFFFAOYSA-N
rxn:4:221793:222461,CC1CN(c2ccc(-c3c(F)cc(F)c4sc(NC(=O)OC(C)(C)C)nc34)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,GMCQOMLXHMWFQF-UHFFFAOYSA-N
rxn:4:222144:225319,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)c(F)c(N3CCOCC3)c2)cc1,AHXRAWSYFGRDHY-UHFFFAOYSA-N
rxn:4:222363:224222,Cc1cc(CN2CCN(c3c(-c4cc(F)c(OCc5ccccc5)c(F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NMMYSSVOKQYQLV-UHFFFAOYSA-N
rxn:4:222803:214388,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(C5CCNC5)c(C(F)(F)F)c4)c(OC)cc12)CC3,YAIWVIPJHJZPOQ-UHFFFAOYSA-N
rxn:4:199700:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cnccc3OC3CCN(C(=O)c4ccc(OC)c(OC)c4)C3)c(F)cc2C)CC1,SEIQBECPABYFDO-UHFFFAOYSA-N
rxn:4:199867:223694,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)c(C2OCCO2)c1,ZALIZJFKGOQTLO-UHFFFAOYSA-N
rxn:4:200053:225044,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)c1,UGPDLVZNROBBAT-UHFFFAOYSA-N
rxn:4:200060:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(-n4c(SCC(=O)c5ccc(OC)cc5)nc5sc6c(c5c4=O)CCCC6)cc3)c(F)cc2C)CC1,PXDCCDAXEYSUGX-UHFFFAOYSA-N
rxn:4:201150:222423,COc1c(-c2ccc3c(c2)CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QGRBKCWNMMKFGR-UHFFFAOYSA-N
rxn:4:202798:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(C(=O)OC)cc3)N(c3cc(C)ccn3)C5=O)c(F)cc2C)CC1,UPCBKZHVGUJDJT-UHFFFAOYSA-N
rxn:4:204775:222389,CCN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,FVNWOEQVTFEIAI-UHFFFAOYSA-N
rxn:4:212751:223897,Cc1ccc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc1OCCCN1CCOCC1,IBAOSBRRQLYNRQ-UHFFFAOYSA-N
rxn:4:213448:223995,COc1ccc(C2CC(c3c(C)nc4ccc(-c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)cc4c3-c3ccccc3)=NN2C(C)=O)cc1,CARIWEFPQSILOE-UHFFFAOYSA-N
rxn:4:214388:223006,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(F)c(C5CCNCC5)c4)c(OC)cc12)CC3,HOOSXACSYYSKAQ-UHFFFAOYSA-N
rxn:4:218785:222719,CCSc1nnc2c(n1)OC(c1ccc(OC)c(OC)c1)N(C(C)=O)c1ccc(-c3cc(C4CCCNC4)nc(C(F)(F)F)c3)cc1-2,POMRBSOLRCVLRJ-UHFFFAOYSA-N
rxn:4:219183:222461,COc1ccc(-c2c(F)cc(F)c3sc(NC(=O)OC(C)(C)C)nc23)cc1-c1nc(Cn2ccn3nc(-c4ccccc4)cc3c2=O)c(C)o1,BKZXGWQKLMZJTG-UHFFFAOYSA-N
rxn:4:219709:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3nc4c(c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)n3CC(C)=O)c2)CC1,PKOGSCIMUJBGKR-UHFFFAOYSA-N
rxn:4:219780:222433,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(NC(=O)c6cccc(C(F)(F)F)c6)ccc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,XRXVGVIAAPMAEN-UHFFFAOYSA-N
rxn:4:219780:223517,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,WTUGHELJLOMKKV-UHFFFAOYSA-N
rxn:4:219780:223647,COc1cc(COc2ccc(-c3cc4c(cc3C(F)F)N(c3nn(C5CCOCC5)c5c3CN(C(C)=O)CC5)CCC4)cc2Cl)cc(OC)c1,ZKZRTJMLQJOZSF-UHFFFAOYSA-N
rxn:4:219780:224202,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(OCc6cccnc6)c(C)cc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1,AIYFJBABQGEEFN-UHFFFAOYSA-N
rxn:4:219780:224439,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C)c(OCc6ccccc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,IGLLETKTBPBQSQ-UHFFFAOYSA-N
rxn:4:219780:224503,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(OCc6ccccc6)cc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,AHBMZKGVWILRQY-UHFFFAOYSA-N
rxn:4:219780:224994,COc1ccc(-c2ccncc2)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,FUHZHCGYJYNJCN-UHFFFAOYSA-N
rxn:4:221252:223917,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(F)cc(C(=O)N(C)C3CCCCC3)c2)cc1,XOHXQLBWTNBVDM-UHFFFAOYSA-N
rxn:4:221252:224311,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc(-n3ccnc3)cc(-n3ccnc3)c2)cc1,HAQMGLMRZMXVIM-UHFFFAOYSA-N
rxn:4:221274:224794,CCN(CC)S(=O)(=O)c1ccc(F)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCCc4ccccc4)c(=O)n3C)cc2)c1,RCYWCORKMAKWGX-UHFFFAOYSA-N
rxn:4:221571:222465,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1,JPEZIXXKKGTJBN-UHFFFAOYSA-N
rxn:4:221572:222459,CC(C)CCn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4)ccc3F)cc2)n(C)c1=O,MHUVVNRSLMHBNJ-UHFFFAOYSA-N
rxn:4:221574:222742,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CC5)c4)cc3)c(=O)n2C)cc1,GGHOACMVVCLYIZ-UHFFFAOYSA-N
rxn:4:221770:222701,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3)c(=O)n2C)c1,GQRRPNUGSGINRD-UHFFFAOYSA-N
rxn:4:221789:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)cc2)c(C(F)(F)F)c1,PGKWCBZEGGVJOT-UHFFFAOYSA-N
rxn:4:221789:223541,Cc1ccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCC5(CC4)OCCO5)cc3)n(C)c2=O)cc1,CJQYADTURDDDSQ-UHFFFAOYSA-N
rxn:4:221790:223141,Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cncc(C4CCNCC4)c3)cc2)n(C)c1=O,NQIXUMTWIMCROX-UHFFFAOYSA-N
rxn:4:222362:222601,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cccc7sc(NC(=O)OC(C)(C)C)nc67)cc6[nH]ncc56)nn4)cn3c2)CC1,SDBVSTNIHWSOAH-UHFFFAOYSA-N
rxn:4:222363:225853,Cc1cc(CN2CCN(c3c(-c4ccc(-n5ccnc5C)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RMILXTVIHCAVLV-UHFFFAOYSA-N
rxn:4:222741:222362,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CC7)nc(C7CCCNC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,XYFXDTLLGLWGAU-UHFFFAOYSA-N
rxn:4:188018:222423,COc1cc(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2C)cc(OC)c1OC,UPRHUXGALIQGFN-UHFFFAOYSA-N
rxn:4:201186:222466,CCCOc1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,VICUAJVJYRDKQN-UHFFFAOYSA-N
rxn:4:202799:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc4oc5c(c(=O)c4c3)C(c3ccc(C(=O)OC)cc3)N(c3nc(C)c(C)s3)C5=O)c(F)cc2C)CC1,LTHSMDMZFUSYQK-UHFFFAOYSA-N
rxn:4:212748:223472,CC1CN(c2cc(CN3CCCCC3)cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)CCN1C(=O)OC(C)(C)C,GKQTYFFAAYRYJX-UHFFFAOYSA-N
rxn:4:213451:222851,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(CC)nc(C6CCNCC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,RLCQFBGKRMPWLE-UHFFFAOYSA-N
rxn:4:213481:222612,COC12CC(COC(=O)c3cncc(-c4cc(S(=O)(=O)N5CCC(O)CC5)ccc4F)c3)CN(C)C1Cc1cn(C)c3cccc2c13,PAEIYENNSZLUIE-UHFFFAOYSA-N
rxn:4:214388:225265,CCCCOc1c(F)cc(F)c(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1F,HYBFCBXROXDWDK-UHFFFAOYSA-N
rxn:4:219120:223578,O=C(c1cncc(-c2cnc(N3CCCCC3)nc2OCc2ccccc2)c1)N1CC2CCCC2(COc2ncc(F)cn2)C1,ZNYCHPAQILDFBG-UHFFFAOYSA-N
rxn:4:219780:223503,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(F)cc(OC6CCN(C(=O)OC(C)(C)C)CC6)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,AKUOJQFHUOJYBA-UHFFFAOYSA-N
rxn:4:219780:223825,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(OCc6ccccc6)c(C(F)(F)F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,DDHFVKJBTUGTCC-UHFFFAOYSA-N
rxn:4:219780:223943,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(Cl)c(C)cc6c5cnn6C5CCCCO5)c(C(F)F)cc43)nn2C2CCOCC2)C1,RLIFYRZLNDSWQA-UHFFFAOYSA-N
rxn:4:219780:223989,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cncc(-c6ccc(OC(F)(F)F)cc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,LAFWRTVASGHRSQ-UHFFFAOYSA-N
rxn:4:219780:224149,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCc6ccccc6)c(Cl)c5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,HISYNVDMAQSWQI-UHFFFAOYSA-N
rxn:4:219780:224201,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)c(C)nc5OCc5ccccc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,CGJGIXBBZXMHRN-UHFFFAOYSA-N
rxn:4:219780:224226,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(Cl)c(OCc6ccccc6)c5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,SQXBQFYPVOWZME-UHFFFAOYSA-N
rxn:4:219780:224581,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(-n6ccc(C)n6)ccc5C5CC5)c(C(F)F)cc43)nn2C2CCOCC2)C1,QNXYAOPJNGRGPV-UHFFFAOYSA-N
rxn:4:219780:225152,COc1cc(-n2cnc(C)c2)ccc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,HNNBTJHVXZJKDE-UHFFFAOYSA-N
rxn:4:220239:222628,CN1C(=O)[C@@H](N2CCc3c(nn(Cc4ccccc4)c3-c3cc(C4CCC4)nc(C4CCCNC4)c3)C2=O)COc2ccccc21,WIVGWQRURCACBF-AKWYTYQQSA-N
rxn:4:221252:222680,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2OC)cc1,YSKOYPGVKDESCN-UHFFFAOYSA-N
rxn:4:221273:222996,Cn1c(=O)n(Cc2ccc(-c3ccc(F)cc3C3CCCNC3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,RAWOICKBUCJYOO-UHFFFAOYSA-N
rxn:4:221538:223524,COc1ccc2c(c1)c(-c1ccc(Cn3c(CN4CCCCC4C)nc4c3c(=O)n(C)c(=O)n4C)cc1)cn2S(=O)(=O)c1ccc(C)cc1,CEWPDPGZYNONBO-UHFFFAOYSA-N
rxn:4:221560:223841,Cc1cc(F)c(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5Cc4ccco4)n(C)c3=O)cc2)cc1S(=O)(=O)N1CCN(C)CC1,UWAOZWCVGJBAAH-UHFFFAOYSA-N
rxn:4:221785:223007,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)n(C)c2=O)c1,QXJXUAQWJWHPPI-UHFFFAOYSA-N
rxn:4:221788:222847,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,JQHPUMYNPQIINF-UHFFFAOYSA-N
rxn:4:221788:223007,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C5CCNCC5)c4)cc3)c(=O)n2C)cc1,KMCAQYJOVUOGOI-UHFFFAOYSA-N
rxn:4:221986:223680,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3cc(F)c(-c4cccc(C(F)(F)F)c4)cc3OC)cc2)CC1,HQAMSJYKNPVMEJ-UHFFFAOYSA-N
rxn:4:222126:222703,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(C(F)(F)F)c(C4CCNCC4)c3)cc2)CC1,PRKSGIWTZTWSAH-UHFFFAOYSA-N
rxn:4:222206:223753,Cc1ccc(-c2ccc(CN3N=C(c4ccc(F)cc4)Cn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)cc1OCCCN1CCN(C)CC1,JDWXRLUVNNIFLT-UHFFFAOYSA-N
rxn:4:222362:224574,Cc1cnn(-c2ccc(C3CC3)c(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c1,GBPYNNGAOJHLPB-UHFFFAOYSA-N
rxn:4:222363:224019,Cc1cc(CN2CCN(c3c(-c4ccc5c6c(cccc46)-c4ccccc4-5)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RVTPUMUYPFOUFB-UHFFFAOYSA-N
rxn:4:222466:214388,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)c(OC)cc12)CC3,QQCYKEPLMAGEPT-UHFFFAOYSA-N
rxn:4:200064:223694,CCN1CCN(S(=O)(=O)c2cc(-c3cccc(C(=O)OCCN4C(=O)c5cccc6c(N7CCCCC7)ccc(c56)C4=O)c3)c(F)cc2C)CC1,MCNUMASOGUXFSC-UHFFFAOYSA-N
rxn:4:207789:222389,CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,DUNRLHCSCZXWDL-UHFFFAOYSA-N
rxn:4:207934:223570,Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2ccc(-c3c(F)ncc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2)sc1C,BBPBWVYZTHNGEM-UHFFFAOYSA-N
rxn:4:212742:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2C)c(N2CCCC2)c1,QECUWCBWEFWVJV-UHFFFAOYSA-N
rxn:4:219661:222615,CC(=O)C(C)n1c(-c2cc(CC(C)C)cc(C3CCNCC3)c2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C,BVBYKVQWYUZSNO-UHFFFAOYSA-N
rxn:4:219780:222817,COc1ccc(S(=O)(=O)NC2CC2)cc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,JGFVZPSTCOBTQJ-UHFFFAOYSA-N
rxn:4:219780:223495,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)c6ccccc56)c(C(F)F)cc43)nn2C2CCOCC2)C1,CFHJARBTZQQEGQ-UHFFFAOYSA-N
rxn:4:219780:223995,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,LMUPVOOUARTQNH-UHFFFAOYSA-N
rxn:4:219780:225148,COc1cc(-n2cc(C)cn2)ccc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,BOWPOSVXGPRYHP-UHFFFAOYSA-N
rxn:4:219780:225402,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(-c6ccccc6)c5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,ZPVSKQUSSUYOGJ-UHFFFAOYSA-N
rxn:4:219780:225646,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(-n6cnc(C)c6)cc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,OGGKXSLQFXPBCI-UHFFFAOYSA-N
rxn:4:219780:225766,CCCOc1c(F)cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)c(C)c1F,OMFDYAXEPQCIFB-UHFFFAOYSA-N
rxn:4:219792:223522,CC(C)(C)[Si](C)(C)OC1CCN(c2cc(F)cc(-c3ccc4c(c3)c3nc5ccccc5nc3n4CCCN3C(=O)c4ccccc4C3=O)c2)CC1,KTQQZEHURJIPHJ-UHFFFAOYSA-N
rxn:4:220557:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(-c2c(C)nn3c2ncc2c(=O)n(-c4ccccc4F)ccc23)cc1,UOMXPIWRMSHOBX-UHFFFAOYSA-N
rxn:4:221126:222423,CCOC(=O)C1CCCN(c2nc3c(S(=O)(=O)c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)nnn3c3ccsc23)C1,UGTMTFWVHMTNQY-UHFFFAOYSA-N
rxn:4:221275:223689,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)ccc2OC)CC1,FLFRNTHLUDKMPT-UHFFFAOYSA-N
rxn:4:221539:225364,Cc1cc(F)c(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc1S(=O)(=O)N(C)C,LBMWJPPSAFXFGK-UHFFFAOYSA-N
rxn:4:221566:222986,CCc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,QYAFEWLMUIDGET-UHFFFAOYSA-N
rxn:4:221781:227298,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)ccc4CN(C)C)cc3)c(=O)n2C)c1C,AQNUIDAJFBOJMM-UHFFFAOYSA-N
rxn:4:221787:222780,Cc1cc(C)cc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)cc(C(=O)NCCN(C)C)c4)cc3)c(=O)n2C)c1,WAVISIIBGMIIQT-UHFFFAOYSA-N
rxn:4:221994:223604,Cc1cn2c3c(=O)n(Cc4ccc(-c5cccc(Oc6ccc(C(F)(F)F)cc6[N+](=O)[O-])c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,LPYNKAKDGNZBPX-UHFFFAOYSA-N
rxn:4:221995:223620,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,RKKVHJOHYLHJRB-UHFFFAOYSA-N
rxn:4:222134:222488,COc1ccc(-c2nnc3n(Cc4ccc(-c5cc(NC(=O)OCc6ccccc6)cnc5C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,ZIDNBNHZQZMVSB-UHFFFAOYSA-N
rxn:4:222144:223660,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)s2)cc1,BHBSBEFFFBSKKF-UHFFFAOYSA-N
rxn:4:222144:224797,CCCCOc1c(F)c(F)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)c(F)c1F,WCWOYUGZXGCXQL-UHFFFAOYSA-N
rxn:4:222195:223679,CCN1CCN(S(=O)(=O)c2c(C)cc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)cc2C)CC1,AOIXWIHVFGUTJJ-UHFFFAOYSA-N
rxn:4:222362:223138,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccnc(C7CCNCC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,HWQZSJGYYGTNJH-UHFFFAOYSA-N
rxn:4:222362:223789,COC(=O)c1cc(O[Si](C)(C)C(C)(C)C)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,WUNHYRDUNRNHBM-UHFFFAOYSA-N
rxn:4:222363:223551,Cc1cc(CN2CCN(c3c(-c4ccc(-c5ccc(OCc6ccccc6)cc5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KGMOHKZAFLOJDB-UHFFFAOYSA-N
rxn:4:226132:222362,Cc1cc(C2(C#N)CC2)ccc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,MKPYRYQSWPBUIS-UHFFFAOYSA-N
rxn:4:197059:222423,COc1c(-c2ccc(N3C(=O)CC4(CCCC4)C3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZBQPAFXHNBSIDB-UHFFFAOYSA-N
rxn:4:201377:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3cc([N+](=O)[O-])ccc3Oc3ccc(C#N)cc3)c(F)ncc21,OYEJZRSZOVBSSI-UHFFFAOYSA-N
rxn:4:202729:222389,CCCCN1C(=O)C(=C2SC(=S)N(C3CCCC3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,LGGBYIKVHWIRCB-UHFFFAOYSA-N
rxn:4:202804:222466,O=C1c2oc3ccccc3c(=O)c2C(c2ccc(-c3cc(C4CCCCC4)nc(C4CCNCC4)c3)cc2)N1CCN1CCOCC1,DDNNDADQWIJQBF-UHFFFAOYSA-N
rxn:4:212754:224283,COC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(-c3cnc(OC(C)(C)C)nc3OC(C)(C)C)ccc21,WIQVJAJKZIVIRV-UHFFFAOYSA-N
rxn:4:213445:223818,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)cc(F)c7c6ccn7C(=O)OC(C)(C)C)c(OC)ccc5c4)nc23)cc1OC,FXVOKCVPXFQKHN-UHFFFAOYSA-N
rxn:4:213451:223100,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(S(=O)(=O)NC)ccc5OC)cc43)C(=O)N2c2ccc(CC)cc2)cc1,TUDYLJGSSKKTTE-UHFFFAOYSA-N
rxn:4:219189:223841,COc1ccc(-c2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc2F)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,MZRUIZWCTQKPCX-UHFFFAOYSA-N
rxn:4:219778:223540,CCn1cc(-c2nc(-c3ccc(-c4cc(S(=O)(=O)N5CCC6(CC5)OCCO6)ccc4OC)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,SPGCQVPCANXVCH-UHFFFAOYSA-N
rxn:4:219780:222805,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(F)c(F)c(N6CCC(O)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OAFRYPZGMBTBFH-UHFFFAOYSA-N
rxn:4:219780:222810,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(NC(=O)OC(C)(C)C)ncc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1,JCFBVTCONLMINW-UHFFFAOYSA-N
rxn:4:219780:223501,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c(Cl)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,YKGVCMPMOXYHTE-UHFFFAOYSA-N
rxn:4:219780:223534,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(OC6CCN(C(=O)OC(C)(C)C)CC6)ncc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,QZTYKMMHPJWVOT-UHFFFAOYSA-N
rxn:4:219780:223719,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCc6ccccc6)c6ccccc56)c(C(F)F)cc43)nn2C2CCOCC2)C1,IOBKGIMGCFTCFG-UHFFFAOYSA-N
rxn:4:219780:224103,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C(=O)OCc6ccccc6)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OCGRYCSPZLUADR-UHFFFAOYSA-N
rxn:4:219780:224155,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CC6)cc(N6CCN(C)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,VLJRKWGEMKUPDE-UHFFFAOYSA-N
rxn:4:219780:224238,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(F)c(OCc6ccccc6)c5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,OLPCHGVKBMQDPS-UHFFFAOYSA-N
rxn:4:221274:223570,CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCCc5ccccc5)c(=O)n4C)cc3)c(F)ncc21,MRQAVMOYFYZNOB-UHFFFAOYSA-N
rxn:4:221557:222493,COC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(-c3cc(F)cc(NC(=O)OCc4ccccc4)c3)cc2)n(C)c1=O,WVYITXHZHQFYAM-UHFFFAOYSA-N
rxn:4:221771:222890,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CC(C)CN5c4ccccc4)n(C)c3=O)cc2)cc(C2CCCNC2)n1,WJEGJWGQUWFRIV-UHFFFAOYSA-N
rxn:4:221793:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc(N4CC(C)Cn5c4nc4c5c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)cc3)c2)CC1,WKDKUILEHLMNKS-UHFFFAOYSA-N
rxn:4:221920:222486,CCOc1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCN(C)CC3)n2)CC1,CGPBHEDCGOPMSR-UHFFFAOYSA-N
rxn:4:221995:223480,Cc1cc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)cc(C)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1,HSJIKRRTNXWNFZ-UHFFFAOYSA-N
rxn:4:222362:222996,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(F)cc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,PSVBZYFZUDRFHL-UHFFFAOYSA-N
rxn:4:222362:223134,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cnccc6C6CCCNC6)cc6[nH]ncc56)nn4)cn3c2)CC1,UTQHKIKEHXZLPC-UHFFFAOYSA-N
rxn:4:222362:224788,CCCCOc1ncc(C(F)(F)F)cc1-c1cc(-c2cn(Cc3cn4cc(CN5CCC(C)(C)CC5)ccc4n3)nn2)c2cn[nH]c2c1,XCHIMIHHGRYYJN-UHFFFAOYSA-N
rxn:4:222363:224022,Cc1cc(CN2CCN(c3c(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IJDUHZHMYAAHHP-UHFFFAOYSA-N
rxn:4:222623:212751,CCC(C)c1cc(-c2cc(CN3CCC(F)(F)CC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(C2CCNCC2)n1,YMHSIFCEJPROJN-UHFFFAOYSA-N
rxn:4:173706:222628,CCCC(=O)c1cc2c(cc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)c3oc(C)c(C(=O)OCC)c32)oc1=O,RHVQKSOEEKPQOV-UHFFFAOYSA-N
rxn:4:184238:222389,CC(C)OCCCN1C(=O)c2oc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3c(=O)c2C1c1ccc(Cl)cc1,UQFDVTBPKYPCTL-UHFFFAOYSA-N
rxn:4:199777:223570,Cc1cc(OC2CN(C(=O)Cc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)C2)cc(=O)n1C1CC1,AFXOVZNNMMPKNP-UHFFFAOYSA-N
rxn:4:202598:222389,CCCCN1C(=O)C(=C2SC(=S)N(CC)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,FUUQIXMHTVEODD-UHFFFAOYSA-N
rxn:4:204950:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4c5c(oc6c(C)cc(C)cc6c5=O)C(=O)N4Cc4cccnc4)cc3)c(F)cc2C)CC1,TXEZSJLBGSLOQX-UHFFFAOYSA-N
rxn:4:212751:224281,COc1cc(OC)c2cc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(OC)nc2c1,QWPYRPNFZCWUIJ-UHFFFAOYSA-N
rxn:4:213451:222890,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5cc(OC)nc(C6CCCNC6)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,VEIGWDCGBMZJRB-UHFFFAOYSA-N
rxn:4:219120:222423,COc1c(-c2cncc(C(=O)N3CC4CCCC4(COc4ncc(F)cn4)C3)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ILJSCSIOEMTSBZ-UHFFFAOYSA-N
rxn:4:219709:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3nc4c(c(=O)n(Cc5cccc6ccccc56)c(=O)n4C)n3CC(C)=O)c2)CC1,AIURNIHMZKIOFF-UHFFFAOYSA-N
rxn:4:219778:222389,CCn1cc(-c2nc(-c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21,BNYKXKZSENCTEE-UHFFFAOYSA-N
rxn:4:219780:222791,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(NC(=O)OC(C)(C)C)ccc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1,BXFLPCGFJXBAGA-UHFFFAOYSA-N
rxn:4:219780:223781,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6ccn(S(=O)(=O)c7ccccc7)c6c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,JNVPHXDJLIJLLT-UHFFFAOYSA-N
rxn:4:219780:223944,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(C)c(Cl)cc6c5cnn6C5CCCCO5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OSHCLNXHVNVWSU-UHFFFAOYSA-N
rxn:4:219780:224151,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C)c(OCc6ccccc6)c(Cl)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,MURSOQPXLFITPQ-UHFFFAOYSA-N
rxn:4:219780:224743,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5c(F)cc(C(=O)OC(C)(C)C)cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,CGWODSUASMAWIT-UHFFFAOYSA-N
rxn:4:221571:222701,Cn1c(=O)n(CC=Cc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)cc1,FKGNPDXTFLZCAQ-UHFFFAOYSA-N
rxn:4:221770:222702,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C(F)(F)F)cc3)c(=O)n2C)c1,HAHQAMHHQCUJHU-UHFFFAOYSA-N
rxn:4:221772:222701,CC1CN(c2ccc(-c3cc(C4CCCNC4)cc(C(F)(F)F)c3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,PBSXULMOIUZVIX-UHFFFAOYSA-N
rxn:4:221784:224662,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(F)ccc4CN4CCN(C)CC4)cc3)n(C)c2=O)c1,AAIWNYRUUWPDGJ-UHFFFAOYSA-N
rxn:4:221785:224018,Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)CN4c3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCOCC4)cc3)n(C)c2=O)c1,IMYSRPDJZKYIOR-UHFFFAOYSA-N
rxn:4:221929:223608,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(OC(F)(F)F)c(S(=O)(=O)N6CCOCC6)c5)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,LWZIUXUQYXWXNV-UHFFFAOYSA-N
rxn:4:221990:223536,COc1ccc(-c2cc(F)c(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,BVZVHQCYEBLGPV-UHFFFAOYSA-N
rxn:4:222352:224687,CSc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(F)cc(CN7CCC(=O)CC7)c6)cc5)c(C)nn43)c2=O)[nH]1,FFVIFCWMKBQHBL-UHFFFAOYSA-N
rxn:4:222353:224369,CCc1nnc(-n2ccc3c(cnc4c(-c5ccc(-c6cc(S(=O)(=O)N(CC)CC)c(C)cc6F)cc5)c(C)nn43)c2=O)[nH]1,AZRDUFDRKKMWOY-UHFFFAOYSA-N
rxn:4:222362:223565,CN(C)c1ccc(-c2cnc(-c3ccc(-c4cc(-c5cn(Cc6cn7cc(CN8CCC(C)(C)CC8)ccc7n6)nn5)c5cn[nH]c5c4)cc3)o2)cc1,QZFHFWLXMBENDY-UHFFFAOYSA-N
rxn:4:222362:228092,CCN(CC)c1csc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)c1,YZJHITSCSCXLJZ-UHFFFAOYSA-N
rxn:4:222363:222821,Cc1cc(CN2CCN(c3c(-c4ccc(F)c(S(=O)(=O)NC(C)(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IYIKRQSKSJXONY-UHFFFAOYSA-N
rxn:4:222363:224677,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(C(=O)N5CCCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,KYWOGUAEEPLRIL-UHFFFAOYSA-N
rxn:4:222363:224823,Cc1cc(CN2CCN(c3c(-c4cc(-c5cscn5)cc(C(F)(F)F)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NAEWNCCZAZFVRL-UHFFFAOYSA-N
rxn:4:222363:225593,Cc1cc(CN2CCN(c3c(-c4cc(F)cc(CN5CCCC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XELYBKSKESWYFW-UHFFFAOYSA-N
rxn:4:222363:228395,COc1cc(F)c(F)cc1-c1cnc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c2c1N1CCN(Cc2cc(C)on2)CC1,UGMHLLBOQAKIBA-UHFFFAOYSA-N
rxn:4:222612:222362,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(S(=O)(=O)N7CCC(O)CC7)ccc6F)cc6[nH]ncc56)nn4)cn3c2)CC1,HZXLJOXHLUYELW-UHFFFAOYSA-N
rxn:4:199966:222389,CCCCN1C(=O)C(=C2SC(=S)N(CCOC)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,SZYUPAARTISPRS-UHFFFAOYSA-N
rxn:4:201183:222616,CC(C)(C)c1cc(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN3CCOCC3)cc2)cc(C2CCNCC2)c1,ALKYSGVMRVYFEH-UHFFFAOYSA-N
rxn:4:202781:222628,Cc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccc(-c3cc(C4CCC4)nc(C4CCCNC4)c3)cc1-2,OZBGBQCMZGSVEY-UHFFFAOYSA-N
rxn:4:202800:222538,CC#Cc1cc2c(c(F)c1-c1cc(C3CCCC3)nc(C3CCNCC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,BOPLNSDOLUWDCU-MUUNZHRXSA-N
rxn:4:204560:222423,COc1c(-c2cc3c(cc2[N+](=O)[O-])CN(Cc2ccccc2)C3)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,NNYXLYZNWBFKRN-UHFFFAOYSA-N
rxn:4:212737:223828,CCN1CCN(c2cc(-c3cc(CN4CCOCC4)cc(N4CCN(C(=O)OC(C)(C)C)CC4)c3)cc(C(F)(F)F)c2)CC1,VIYRDJVQQZRKME-UHFFFAOYSA-N
rxn:4:212751:224055,Cc1cc(OCc2ccccc2)cc(C)c1-c1cc(CN2CCC(F)(F)CC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,PMIARQRKOFLAMG-UHFFFAOYSA-N
rxn:4:213445:223827,CCN1CCN(c2ccc(C(F)(F)F)cc2-c2c(OC)ccc3cc(-c4nc5c(-c6ccc(OC)c(OC)c6)cnn5cc4C)ccc23)CC1,PPERCXADXVXSTA-UHFFFAOYSA-N
rxn:4:219209:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3ccc4c(c3)c3nc5ccccc5nc3n4CC(=O)N(c3ccccc3)C(C)C)c2)CC1,SNTLTKIBEGVULA-UHFFFAOYSA-N
rxn:4:219780:222690,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(F)cc(C(=O)Nc6ccccn6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,SHPGVJGLMSZGQS-UHFFFAOYSA-N
rxn:4:219780:222706,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(C6CCNCC6)ccc5C(F)(F)F)c(C(F)F)cc43)nn2C2CCOCC2)C1,OBAPGVZPOZRGNU-UHFFFAOYSA-N
rxn:4:219780:223592,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)cc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1,GYAOREKUTBIVNJ-UHFFFAOYSA-N
rxn:4:219780:223750,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6cccnc6c5O[Si](C)(C)C(C)(C)C)c(C(F)F)cc43)nn2C2CCOCC2)C1,LBIMHEUYFRISFV-UHFFFAOYSA-N
rxn:4:219780:224074,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc6c(cnn6Cc6ccccc6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,JYEOSOQRMNLIBP-UHFFFAOYSA-N
rxn:4:219780:224448,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(C)c5OCc5ccccc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,OKNKVGHLEZNSAG-UHFFFAOYSA-N
rxn:4:220243:223753,Cc1ccc(-c2ccc(-c3noc(-c4cn(C)c5cc(N6CCC(C)CC6)c(F)cc5c4=O)n3)cc2)cc1OCCCN1CCN(C)CC1,ARJPLJPWBGTWLA-UHFFFAOYSA-N
rxn:4:221575:222889,CC1CN(c2ccc(-c3cc(F)cc(CN4CCNCC4)c3)cc2)c2nc3c(c(=O)n(CCc4ccccc4)c(=O)n3C)n2C1,LCXSWOGOPQZGQD-UHFFFAOYSA-N
rxn:4:221781:222846,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCNC5)ccc4C#N)cc3)c(=O)n2C)c1C,KLBUNXTYRPSSKK-UHFFFAOYSA-N
rxn:4:221791:224369,CCN(CC)S(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)c(F)cc1C,PGJVKFXFEMSXLG-UHFFFAOYSA-N
rxn:4:221990:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,IXQJYWIJTBJOGN-UHFFFAOYSA-N
rxn:4:221995:225079,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc6cc(OC(F)F)ccc6c5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,XCRQZLIMGIEXLJ-UHFFFAOYSA-N
rxn:4:221995:226751,Cc1cc(OC(F)(F)F)ccc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)cc1,KYPHKDFMPQYXLH-UHFFFAOYSA-N
rxn:4:222195:223580,COC(=O)c1ccc2c(c1)cc(-c1cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c1)n2C(=O)OC(C)(C)C,OXCTYRJZUBWUHK-UHFFFAOYSA-N
rxn:4:222262:223840,COc1ccc(-c2cc(-c3noc(Cn4cnc5c(nnn5Cc5cccc(F)c5)c4=O)n3)ccc2F)cc1S(=O)(=O)N1CCN(C)CC1,HKTYPFKPMUGFKI-UHFFFAOYSA-N
rxn:4:222362:222578,Cc1ccc(NC(=O)c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c(Cl)c1,OWFDSUFSMZXTCH-UHFFFAOYSA-N
rxn:4:222362:223697,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(S(=O)(=O)N7CCCCC7)cc6C(F)(F)F)cc6[nH]ncc56)nn4)cn3c2)CC1,SWCAANFMYOGYRL-UHFFFAOYSA-N
rxn:4:222363:222707,Cc1cc(CN2CCN(c3c(-c4ccnc(CNC(=O)OC(C)(C)C)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,LFQMWDWNCLJRJW-UHFFFAOYSA-N
rxn:4:222363:223641,CCc1cc2c(cc1F)cc(-c1cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c1N1CCN(Cc3cc(C)on3)CC1)n2C(=O)OC(C)(C)C,MQAUZLOZXVUWCZ-UHFFFAOYSA-N
rxn:4:222363:224144,Cc1ccc(OCc2ccccc2F)c(-c2cnc3nc(-c4ccc(N5CCN(C)CC5)cc4)[nH]c3c2N2CCN(Cc3cc(C)on3)CC2)c1,FCJPDHLCKLFEKM-UHFFFAOYSA-N
rxn:4:222363:224279,Cc1cc(CN2CCN(c3c(-c4ccc5c(c4)ncn5C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,QBZYAWPPFHNKLK-UHFFFAOYSA-N
rxn:4:222363:228634,Cc1cc(CN2CCN(c3c(-c4c(C)cc(Cl)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,XUYFSFWZFIGOMZ-UHFFFAOYSA-N
rxn:4:202514:222389,C#CCn1c(=NC(=O)c2ccccc2-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)sc2cc(C)ccc21,CHJYCBBEUXRYGS-UHFFFAOYSA-N
rxn:4:202596:222389,CCCN1C(=O)C(=C2C(=O)N(CCC)c3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc32)SC1=S,HIOOHRAJHHXROY-UHFFFAOYSA-N
rxn:4:202800:222465,CC#Cc1cc2c(c(F)c1-c1cc(C3CCCCC3)nc(C3CCCNC3)c1)OC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C2,UWRTURANIWOBAT-BNGNXUGRSA-N
rxn:4:202806:222389,CCOc1cccc(C2c3c(oc4ccc(-c5cc(C6CCNCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,IPPDISWKCOPWPK-UHFFFAOYSA-N
rxn:4:212748:223725,CCCCCc1ccc(-c2ccc(-c3cc(CN4CCCCC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)cc1,HZBNHRWLWYPZGK-UHFFFAOYSA-N
rxn:4:213408:223570,CC(C)CN1C(=O)C(=Cc2c(Oc3ccc(-c4c(F)ncc5c4ccn5[Si](C(C)C)(C(C)C)C(C)C)cc3)nc3ccccn3c2=O)SC1=S,FLNRAYIHXUGCQQ-UHFFFAOYSA-N
rxn:4:214386:224398,COc1cc(OC)c2cc(C(=O)N3CCc4[nH]c5c(-c6cc(S(=O)(=O)N7CCCC7)c(C)cc6F)cccc5c4C3)n(C)c2c1,VXGHCELCKQFGLU-UHFFFAOYSA-N
rxn:4:214388:223815,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(Cl)c(CN5CCC6(CC5)OCCO6)c4)c(OC)cc12)CC3,JVMIXEMVJVKQQK-UHFFFAOYSA-N
rxn:4:218778:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3cc(Cl)cc4c3nc(N3CC5(CN(C(=O)OC(C)(C)C)C5)C3)n4Cc3cc(C)c(F)c(C)c3)c2)CC1,QCEFJGVJMYJHEK-UHFFFAOYSA-N
rxn:4:218783:222423,CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3ccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)cc3)n2n1,DBJSSPDZADQTAO-UHFFFAOYSA-N
rxn:4:219181:222389,Cn1c(=O)c2c(SCc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)nc(CC(C)(C)C)nc2n(C)c1=O,PKQYKLACAUAXLW-UHFFFAOYSA-N
rxn:4:219189:224192,CCN1CCN(Cc2ccc(F)cc2-c2ccc(OC)c(-c3nc(Cn4ccn5nc(-c6ccc(C)c(C)c6)cc5c4=O)c(C)o3)c2)CC1,FKBOKBNIPPBGCS-UHFFFAOYSA-N
rxn:4:219545:223830,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C(=O)N4CCCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)o3)ccc2C)CC1,UDNMBDZOZKHBJG-UHFFFAOYSA-N
rxn:4:219780:222403,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccc(NC(=S)NC(C)C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,ILYRGVFVVMCIHM-UHFFFAOYSA-N
rxn:4:219780:223499,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(Cl)c(C(=O)N6CCN(C(=O)OC(C)(C)C)CC6)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,ZAGOHULDECNJGJ-UHFFFAOYSA-N
rxn:4:219780:223657,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cn(S(=O)(=O)c6ccc(C)cc6)c6ccncc56)c(C(F)F)cc43)nn2C2CCOCC2)C1,UMDBBBNPVAHBGC-UHFFFAOYSA-N
rxn:4:219780:224137,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(OCc6ccc(Cl)cc6)c(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,UWJKDIYBEUOFTN-UHFFFAOYSA-N
rxn:4:219780:225150,COc1cc(-n2ccc(C)n2)ccc1-c1cc2c(cc1C(F)F)N(c1nn(C3CCOCC3)c3c1CN(C(C)=O)CC3)CCC2,POWKQRMNOBERIZ-UHFFFAOYSA-N
rxn:4:221116:222486,CCOc1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1S(=O)(=O)N1CCN(c2nc(C)cc(N3CCCCC3)n2)CC1,MTUIRWHWEVSUBU-UHFFFAOYSA-N
rxn:4:221252:223482,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(OC(F)(F)F)c(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)cc1,QFELJFHPJGJELW-UHFFFAOYSA-N
rxn:4:221266:223991,CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(-c5c(F)cc(F)c(O[Si](C)(C)C(C)(C)C)c5F)cc4)c(C)c(C)n23)n(C)c1=O,GINVSDXBIXJFHY-UHFFFAOYSA-N
rxn:4:221277:222850,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCNCC4)ccc3C#N)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,FTBYYIMRSYHDHN-UHFFFAOYSA-N
rxn:4:221539:224298,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)CC(C)O1,AQWYSXSODQJDJL-UHFFFAOYSA-N
rxn:4:221570:222822,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)NC5CC5)c(C)cc4F)cc3)c(=O)n2C)c1,JCGDQLRIGLLTDY-UHFFFAOYSA-N
rxn:4:221758:222611,COc1ccc(S(=O)(=O)N2CCNCC2)cc1-c1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3Cl)c(=O)n2C)cc1,LIRHVLKMZZOMNY-UHFFFAOYSA-N
rxn:4:221768:222985,Cc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccc(-c4ccc(C5CCCNC5)nc4C)cc3)c(=O)n2C)cc1C,ZESOUXONJGFVEF-UHFFFAOYSA-N
rxn:4:221788:223057,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(Cl)nc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,BWYISLWESUYCPZ-UHFFFAOYSA-N
rxn:4:222135:223953,COCCN1CCN(c2cc(F)cc(-c3ccc(OC)c(-c4nnc5n(Cc6ccccc6)c6c(=O)n(C)c(=O)n(C)c6n45)c3)c2)CC1,VIOPSYZHANHVDW-UHFFFAOYSA-N
rxn:4:222138:223925,Cc1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)c(F)c(OCc2ccccc2)c1F,FYOZWIKXZLDSBB-UHFFFAOYSA-N
rxn:4:222143:223908,COc1ccc(COc2cc(Cl)ccc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)cc1,XJZSGAFDWKDDIE-UHFFFAOYSA-N
rxn:4:222195:222624,CC(C)Cc1cc(-c2cccc(Cn3c(N4CCN(C)CC4)nc4c3c(=O)n(C)c(=O)n4C)c2)cc(C2CCNCC2)n1,XHVAYQDSDPTQRJ-UHFFFAOYSA-N
rxn:4:222362:223903,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccccc6CCC(=O)N6CCC(=O)CC6)cc6[nH]ncc56)nn4)cn3c2)CC1,GLVWVJBKORBZIM-UHFFFAOYSA-N
rxn:4:222362:224061,CCCC1CCC(c2ccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c(F)c2)CC1,QQHNAOKBASUBGB-UHFFFAOYSA-N
rxn:4:222362:224308,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)c(F)c(O[Si](C)(C)C(C)(C)C)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,JFDPIQXMGMTOON-UHFFFAOYSA-N
rxn:4:222362:224621,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OCCN7CCSCC7)cc6)cc6[nH]ncc56)nn4)cn3c2)CC1,MLHZDRVYTNHXBO-UHFFFAOYSA-N
rxn:4:200053:222537,COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)C3c1cccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)c1,OFEMPWYLBFXHSD-UHFFFAOYSA-N
rxn:4:200058:223694,CCOc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(-c2cc(S(=O)(=O)N3CCN(CC)CC3)c(C)cc2F)c1OCc1ccc(C)cc1,REUQSJXVIHGXFH-UHFFFAOYSA-N
rxn:4:201189:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(C4c5c(oc6cc(OC)ccc6c5=O)C(=O)N4CCN4CCOCC4)cc3)c(F)cc2C)CC1,GSRRRYQYMCDVIG-UHFFFAOYSA-N
rxn:4:202623:222423,COc1c(-c2ccc3c(c2)sc(=NC(=O)c2ccc(OC(C)C)cc2)n3C)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XKRYJJMQRPYQML-UHFFFAOYSA-N
rxn:4:202703:222389,CCCN1C(=O)C(=C2SC(=S)N(CC3CCCO3)C2=O)c2cc(-c3cc(C4CCNCC4)nc(C4CCNCC4)c3)ccc21,DHYDENLUOYSLPL-UHFFFAOYSA-N
rxn:4:204691:222423,CCCCN1C(=O)C(=C2SC(=S)N(C)C2=O)c2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc21,DWLBHBFEADHDPM-UHFFFAOYSA-N
rxn:4:212751:223728,CCCCCC1CCC(c2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c(F)c2)CC1,BGHQOBVPEPXRJV-UHFFFAOYSA-N
rxn:4:212839:222891,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(OC)nc(C5CCNCC5)c4)ccn23)CC1,RGRZIZSXZBKVBG-UHFFFAOYSA-N
rxn:4:212839:223845,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4cc(F)c(F)cc4S(=O)(=O)N4CCN(C)CC4)ccn23)CC1,WEOGQOPPMLOTJO-UHFFFAOYSA-N
rxn:4:212839:223887,CCN1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3c(-c4c(C)c5ccccc5n4C(=O)OC(C)(C)C)ccn23)CC1,NYOAXTDGZWUPJT-UHFFFAOYSA-N
rxn:4:213445:223994,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6cc(S(=O)(=O)N7CCN(C)CC7)ccc6C)c(OC)ccc5c4)nc23)cc1OC,JKJCBRGETKAUKO-UHFFFAOYSA-N
rxn:4:214344:222423,COc1ccc(N2C(=O)C3ON(c4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4)C(c4cccnc4)C3C2=O)cc1,BTBSFLHGWLKPTI-UHFFFAOYSA-N
rxn:4:214388:223063,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(F)nc(C5CCNCC5)c4)c(OC)cc12)CC3,BDSWYYJBWMNMOK-UHFFFAOYSA-N
rxn:4:215303:223694,CCCN1CCC2(CC1)Oc1ccc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)c(C)cc3F)cc1C1CC(c3ccc4ccccc4c3)=NN12,MMSWAHHZMKWSDI-UHFFFAOYSA-N
rxn:4:216352:223523,CCN1CCN(S(=O)(=O)c2ccc(-c3ccc4ncc5c(-c6ccc(C)cc6)nn(-c6ccc(C)c(C)c6)c5c4c3)c3ccccc23)CC1,DICFINDNGUDWNS-UHFFFAOYSA-N
rxn:4:219208:222423,CCC(Sc1nc2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2c2nc3ccccc3n12)C(=O)N1CCOCC1,LDHPSAHTTGDFRP-UHFFFAOYSA-N
rxn:4:219780:222714,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(NC(=O)OC(C)(C)C)cc(F)c5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,DJDPKNPIRYHFAR-UHFFFAOYSA-N
rxn:4:219780:224183,COc1ccc(COc2ccc(-c3cc4c(cc3C(F)F)N(c3nn(C5CCOCC5)c5c3CN(C(C)=O)CC5)CCC4)cn2)cc1,SDNOYKMFQHUHID-UHFFFAOYSA-N
rxn:4:220270:222622,CCC(C)c1cc(-c2ccc3c(c2)c2nc4ccccc4nc2n3CCN2CCOCC2)cc(C2CCCNC2)n1,BXQVJLNGGVBAPL-UHFFFAOYSA-N
rxn:4:221567:224662,CN1CCN(Cc2ccc(F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCc4ccccc4)c(=O)n3C)cc2)CC1,ZUCZRDJPTUPUPR-UHFFFAOYSA-N
rxn:4:221568:222891,COc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5Cc4ccccc4)n(C)c3=O)cc2)cc(C2CCNCC2)n1,IEQRUDRPPCPHPL-UHFFFAOYSA-N
rxn:4:221778:224687,CC1CN(c2ccc(-c3cc(F)cc(CN4CCC(=O)CC4)c3)cc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1,GGRBZPLDUGSPRZ-UHFFFAOYSA-N
rxn:4:221793:222465,CC1CN(c2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1,ARPXDQPOVWGEJY-UHFFFAOYSA-N
rxn:4:221994:223680,COc1cc(-c2cccc(C(F)(F)F)c2)c(F)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,DRUIDZLJQPHECP-UHFFFAOYSA-N
rxn:4:222132:222465,COc1ccc(-c2cc(C3CCCCC3)nc(C3CCCNC3)c2)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,FROQKBKKFWNKKL-UHFFFAOYSA-N
rxn:4:222137:224155,Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(C3CC3)cc(N3CCN(C)CC3)c2)cc1,KQHXWJXDLKYVEF-UHFFFAOYSA-N
rxn:4:222138:223989,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)cc1,NOPMWYKLOBTFPX-UHFFFAOYSA-N
rxn:4:222142:223970,Cc1ccc(-c2ccc(-n3c(C)cn4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N1CCC(C)CC1,AXQQIGRWHWEPHO-UHFFFAOYSA-N
rxn:4:222143:222452,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cc(F)c(F)c(NC(=O)OCc3ccccc3)c2)cc1,MKWYAVHPEGACKA-UHFFFAOYSA-N
rxn:4:222143:223969,CC1CCN(c2ccc(C(F)(F)F)cc2-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCCCC4)c(=O)n3C)cc2)CC1,WSRRWMJFJUJQHD-UHFFFAOYSA-N
rxn:4:222362:224062,Cc1ccc(C)c(COc2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)c1,FMCZBMJHDKWSFF-UHFFFAOYSA-N
rxn:4:222363:223506,Cc1cc(CN2CCN(c3c(-c4cccc(S(=O)(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,BOVPUNNIXVCJNE-UHFFFAOYSA-N
rxn:4:222363:223517,Cc1cc(CN2CCN(c3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GSQRPYLOCUICES-UHFFFAOYSA-N
rxn:4:222363:225242,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-c5ccc(F)cc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,DSHILGWOGXDDMO-UHFFFAOYSA-N
rxn:4:222363:225938,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)ncc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HMWZZOXEMZVBFQ-UHFFFAOYSA-N
rxn:4:185000:222423,COc1c(-c2ccc(OCc3ccccc3)c(C(=O)N(C)C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,BJQQNZUQUDGXQS-UHFFFAOYSA-N
rxn:4:201164:222423,COc1c(-c2cccc(C3c4c(oc5ccccc5c4=O)C(=O)N3CCCN(C)C)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,FPAQWYNJTJUYPI-UHFFFAOYSA-N
rxn:4:204690:222538,CCCN1C(=O)C(=C2C(=O)N(CC)c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc32)SC1=S,IXIKBGUGMLYARN-UHFFFAOYSA-N
rxn:4:213450:224721,Cc1nc2ccc(-c3c(C)nn(CC(=O)OC(C)(C)C)c3C)cc2c(-c2ccccc2)c1C1=NN(C(=O)C(C)C)C(c2ccccc2F)C1,IXKZDXUZBFMUMM-UHFFFAOYSA-N
rxn:4:214377:222423,COc1c(-c2ccc(C3c4c(oc5ccccc5c4=O)C(=O)N3c3nnc(CC(C)C)s3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZEDCLQGQTWITHT-UHFFFAOYSA-N
rxn:4:214388:223028,CCCNC(=O)c1ccc(F)c(-c2cc3c(cc2OC)c(C(=O)N2CCc4[nH]c5ccc(OC)cc5c4C2)c(C)n3C)c1,RFFNCFBFEGVXMF-UHFFFAOYSA-N
rxn:4:214388:227699,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cc(OC)nc(OC)c4Cl)c(OC)cc12)CC3,JNEKZSHCYDIUHR-UHFFFAOYSA-N
rxn:4:218713:222423,COc1c(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cccc1-c1c(C)nn(C(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1C,UQJQWEHCLBRDPS-UHFFFAOYSA-N
rxn:4:219545:223834,Cc1cc(-c2ccc(C(=O)N3CCCN(c4cc(-c5ccc(Cl)cc5)n[nH]4)CC3)o2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,SSIDRPMYBCJONE-UHFFFAOYSA-N
rxn:4:219618:224664,CN1CCN(Cc2cc(F)cc(-c3ccc(-n4ccn5c(SCc6ccc(F)cc6)nnc5c4=O)cc3)c2)CC1,UMLUUJVAVQARJM-UHFFFAOYSA-N
rxn:4:219773:223534,CCn1cc(-c2nc(-c3cccc(-c4cc(OC5CCN(C(=O)OC(C)(C)C)CC5)ncc4F)c3)no2)c(=O)c2cc(F)c(N3CCOCC3)cc21,AKTBYWCGDPTKED-UHFFFAOYSA-N
rxn:4:219780:223758,COc1cc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cc(OC)c1OCc1ccccc1,SENGNXZQDSBAAI-UHFFFAOYSA-N
rxn:4:219780:224446,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(OCc6ccccc6)ccc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,HPTRLDUFSLMMON-UHFFFAOYSA-N
rxn:4:221277:222702,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)ccc3C(F)(F)F)cc2)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1,FLDIMLOBPLPQMP-UHFFFAOYSA-N
rxn:4:221538:223488,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2cc3cc(Oc4ccccc4)ccc3n2C(=O)OC(C)(C)C)cc1,UTLIPDGZLKYGGR-UHFFFAOYSA-N
rxn:4:221539:222729,CCCc1cc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C2CCCNC2)n1,LVOABWHCKNRRFT-UHFFFAOYSA-N
rxn:4:221761:222486,Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cncc(-c3cncc(C4CCCCN4)c3)c2)cc1,CYWXWPTXXOUHST-UHFFFAOYSA-N
rxn:4:221770:222389,Cc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c1,ZUNBMOSPYZIOFO-UHFFFAOYSA-N
rxn:4:221784:222701,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCNC5)cc(C(F)(F)F)c4)cc3)n(C)c2=O)c1,QLZYRECGPGVUEX-UHFFFAOYSA-N
rxn:4:221785:222613,CCCNS(=O)(=O)c1ccc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4cccc(C)c4)c(=O)n3C)cc2)c(C(F)(F)F)c1,WBDJMPBOSKYTJB-UHFFFAOYSA-N
rxn:4:221929:222488,Cc1ncc(NC(=O)OCc2ccccc2)cc1-c1ccc(Cn2c(=O)c3c(nc4n(CCCN5CCOCC5)c(C)cn34)n(C)c2=O)cc1,UDDHOHNGNFDWDL-UHFFFAOYSA-N
rxn:4:221987:222466,COCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCCC5)nc(C5CCNCC5)c4)ccc3OC)nnc12,XMJKXERKLVSUGE-UHFFFAOYSA-N
rxn:4:221995:225288,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(OC(C)C)cc5C(F)(F)F)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,NVVWJHBCWXNYGR-UHFFFAOYSA-N
rxn:4:222138:223943,Cc1cc2c(cnn2C2CCCCO2)c(-c2ccc(N3CCCn4c3nc3c4c(=O)n(CCN4CCOCC4)c(=O)n3C)cc2)c1Cl,UFIXDBNDBUPZSX-UHFFFAOYSA-N
rxn:4:222138:223986,Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2cccc(Oc3ccc(F)cc3[N+](=O)[O-])c2)cc1,ZHEJLXJTVJDANR-UHFFFAOYSA-N
rxn:4:222144:224293,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1,LIFQNBFUIGRHAB-UHFFFAOYSA-N
rxn:4:222144:225592,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(F)ccc2CN2CCCC2)cc1,NRCQUTGWNWKYIX-UHFFFAOYSA-N
rxn:4:222195:224195,CCN1CCN(Cc2cc(-c3cccc(Cn4c(N5CCN(C)CC5)nc5c4c(=O)n(C)c(=O)n5C)c3)ccc2Cl)CC1,DISGSEWCOYAMCE-UHFFFAOYSA-N
rxn:4:222249:223570,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6c(F)ncc7c6ccn7[Si](C(C)C)(C(C)C)C(C)C)o5)CC4)ncnc32)cc1,XPMPFMBLJFSCKD-UHFFFAOYSA-N
rxn:4:222362:228867,CCc1nc(OC)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)s1,HFSUTDCHKATECP-UHFFFAOYSA-N
rxn:4:222363:223537,Cc1cc(CN2CCN(c3c(-c4cc5cc(OC(F)(F)F)ccc5n4C(=O)OC(C)(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,RMZSRAWNUSPTCS-UHFFFAOYSA-N
rxn:4:222363:225308,Cc1cc(CN2CCN(c3c(-c4cc(C(F)(F)F)cc(C5CC5)c4Cl)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,HPLDBMBFJYQHJX-UHFFFAOYSA-N
rxn:4:184162:222423,COc1c(-c2cc(N(C(C)=O)S(=O)(=O)c3ccc4ccccc4c3)ccc2OC(C)=O)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ITCHWNMVGUYMQP-UHFFFAOYSA-N
rxn:4:191196:222465,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(-c2cc(C4CCCCC4)nc(C4CCCNC4)c2)cc1)N(CC1CCCO1)C3=O,PLDWRUZCRFINJA-UHFFFAOYSA-N
rxn:4:201187:223532,CCCOc1cccc(C2c3c(oc4ccc(-c5cc(F)cc(CN6CCN(C(=O)OC(C)(C)C)CC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,PXHMZFIKGVOAEI-UHFFFAOYSA-N
rxn:4:202485:222423,COC(=O)c1cc(C#N)c2oc(-c3cccc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)c3C)nc2c1,KHVMHNVOQGCHFM-UHFFFAOYSA-N
rxn:4:202694:222624,CCN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2cc(-c3cc(CC(C)C)nc(C4CCNCC4)c3)ccc21,VBPATSQYKJJYDI-UHFFFAOYSA-N
rxn:4:212745:224229,CC1CN(c2cc(CN3CCOCC3)cc(-c3cc(F)c(OCc4ccccc4)c(Cl)c3)c2)CCN1C(=O)OC(C)(C)C,FSMLFOLQJNDOOF-UHFFFAOYSA-N
rxn:4:212748:224702,Cc1c(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)cc(F)c(OC2CCCC2)c1F,NYQMJAGGKJXDKO-UHFFFAOYSA-N
rxn:4:212820:222602,COCCn1c(=NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(-c3cc(CC(C)C)sc3S(=O)(=O)NC(C)(C)C)ccc21,PSUFLVLORYGOLL-UHFFFAOYSA-N
rxn:4:213451:224950,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OC)cc5CN5CCCC5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,OGOUQIXSTODLDU-UHFFFAOYSA-N
rxn:4:215310:222442,CC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccc(-c3ccc(S(=O)(=O)NC4CCCC4)c4ccccc34)cc2)c2ccccc21,AEXFOWXNNBVOSZ-UHFFFAOYSA-N
rxn:4:218764:223983,CCN1CCN(S(=O)(=O)c2ccccc2-c2nc3c(c(=O)n(CCCc4ccccc4)c(=O)n3C)n2Cc2ccccc2Cl)CC1,BQWDQSPKQVZYMP-UHFFFAOYSA-N
rxn:4:219186:223845,CN1CCN(S(=O)(=O)c2cc(F)c(F)cc2-c2cccc(-c3nnc4sc(CN5CCC(Cc6ccccc6)CC5)cn34)c2)CC1,ONDYQGUKRORYKR-UHFFFAOYSA-N
rxn:4:219545:223829,CCN1CCN(S(=O)(=O)c2ccc(C)c(-c3ccc(C(=O)N4CCCN(c5cc(-c6ccc(Cl)cc6)n[nH]5)CC4)o3)c2)CC1,SZUWYDQVBLZHGO-UHFFFAOYSA-N
rxn:4:219780:223629,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(COc6ccc(Cl)c7ccccc67)cc5)c(C(F)F)cc43)nn2C2CCOCC2)C1,NJYRCRIPCJLUMU-UHFFFAOYSA-N
rxn:4:219780:223651,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccc(C6CCN(C(=O)OC(C)(C)C)C6)nc5C)c(C(F)F)cc43)nn2C2CCOCC2)C1,XTVMFAOKMQYKBA-UHFFFAOYSA-N
rxn:4:221252:223685,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(-c2ccc(OC(F)(F)F)c(OCc3cccnc3)c2)cc1,RUUUYFCUCRDQNV-UHFFFAOYSA-N
rxn:4:221277:223694,CCN1CCN(S(=O)(=O)c2cc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(Oc6ccccc6)cc5)n(C)c4=O)cc3)c(F)cc2C)CC1,IDZOWRKZFOFNES-UHFFFAOYSA-N
rxn:4:221574:224405,CCc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)c(F)cc4S(=O)(=O)N4CCCC4)cc3)c(=O)n2C)cc1,GYCFUCONDNNNOK-UHFFFAOYSA-N
rxn:4:221783:222465,Cc1cccc(N2CC(C)Cn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)cc3)c(=O)n2C)c1,HKBPLWJQLAXTHV-UHFFFAOYSA-N
rxn:4:221784:222538,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C5CCCC5)nc(C5CCNCC5)c4)cc3)n(C)c2=O)c1,BWBHLMLZRHCEQV-UHFFFAOYSA-N
rxn:4:221929:224303,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(O[Si](C)(C)C(C)(C)C)c(F)c5F)cc4)c(=O)n(C)c3nc2n1CCCN1CCOCC1,VZQIOETUWQWLBY-UHFFFAOYSA-N
rxn:4:221988:222465,CCCCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3cc(-c4cc(C5CCCCC5)nc(C5CCCNC5)c4)ccc3OC)nnc12,BBWKYBMKPAXHPW-UHFFFAOYSA-N
rxn:4:221990:222701,COc1ccc(-c2cc(C3CCCNC3)cc(C(F)(F)F)c2)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,YAQPZDQRNIGCQK-UHFFFAOYSA-N
rxn:4:221995:225081,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(OC(F)F)c6ccccc56)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,OQWPMPXAWIVWCH-UHFFFAOYSA-N
rxn:4:222110:222424,CC#CCn1c(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,KXAYCRQGGJTITH-UHFFFAOYSA-N
rxn:4:222132:222439,COc1ccc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2C(F)(F)F)cc1-c1nnc2n(CC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,HZORJTORYJNDNZ-UHFFFAOYSA-N
rxn:4:222138:223971,CC1CCN(c2cc(-c3ccc(N4CCCn5c4nc4c5c(=O)n(CCN5CCOCC5)c(=O)n4C)cc3)cc(C(F)(F)F)c2)CC1,KKHLGEBTZVJCPZ-UHFFFAOYSA-N
rxn:4:222143:224290,Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(Cl)cc2OCCN2CCOCC2)cc1,WKSYGGSBOQQOKA-UHFFFAOYSA-N
rxn:4:222144:223691,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cc(OCc3cccnc3)c(C(F)(F)F)cc2Cl)cc1,JZPVLBUOYNKMFA-UHFFFAOYSA-N
rxn:4:222144:225364,Cc1cc(F)c(-c2ccc(-n3c(C)c(C)n4c5c(=O)n(CCN6CCCCC6)c(=O)n(C)c5nc34)cc2)cc1S(=O)(=O)N(C)C,KYPBQSLQLMMBRQ-UHFFFAOYSA-N
rxn:4:222272:222466,Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(F)c(-c6cc(C7CCCCC7)nc(C7CCNCC7)c6)c5)no4)cnc32)cc1,LIWYBHWVLFHIJV-UHFFFAOYSA-N
rxn:4:222362:223667,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6ccc(OC(F)(F)F)cc6OCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,NPYYXBPJTCIVTL-UHFFFAOYSA-N
rxn:4:222362:223834,Cc1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C)c1S(=O)(=O)N1CCN(C)CC1,RJAYFSTUHTUPGH-UHFFFAOYSA-N
rxn:4:222363:223866,Cc1cc(CN2CCN(c3c(-c4ccccc4CN4C(C)(C)CCCC4(C)C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,GXIXJHGNUZFDCC-UHFFFAOYSA-N
rxn:4:222363:228951,Cc1cc(CN2CCN(c3c(-c4ccc(Cl)c(F)c4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ASKKAQZEYDRWLG-UHFFFAOYSA-N
rxn:4:178565:222423,COc1c(-c2ccc(-c3c(C)oc4cc(OC(C)=O)ccc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,KFVFCWYXKFRGGW-UHFFFAOYSA-N
rxn:4:187934:222423,COc1ccc(CN2Cc3cc(-c4cccc(-c5nc6ccc7[nH]ncc7c6c6c5CCC6)c4OC)ccc3OCC2=O)c(OC)c1,IGQGLQRPHZGBTQ-UHFFFAOYSA-N
rxn:4:201132:222423,COc1ccc2cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)ccc2c1CC(=O)N(C)C1CCN(C)CC1,YPQABSUHZCJVIA-UHFFFAOYSA-N
rxn:4:202339:222423,COc1c(-c2ccc(-c3nc(S(=O)(=O)N4CCCC(C)C4)c(-c4ccc(Cl)cc4)o3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,CYOFIULBQRXZGK-UHFFFAOYSA-N
rxn:4:202784:223578,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cnc(N6CCCCC6)nc5OCc5ccccc5)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,PRINKICLFOFQJZ-UHFFFAOYSA-N
rxn:4:202810:222423,COc1ccc(OC)c(C2c3c(oc4ccc(-c5cccc(-c6nc7ccc8[nH]ncc8c7c7c6CCC7)c5OC)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,ZFBRYKXZLQLEOL-UHFFFAOYSA-N
rxn:4:212712:222423,COc1c(-c2ccc(-c3cnc(SCC(=O)N4CCCCC4)n3-c3ccccc3)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HQEPTEMDWSODAC-UHFFFAOYSA-N
rxn:4:212748:224264,COc1cc(-c2cccc(Cl)c2)c(F)cc1-c1cc(CN2CCCCC2)cc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)c1,UARIULITISUSDX-UHFFFAOYSA-N
rxn:4:212846:224670,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5cc(CN6CCN(C)CC6)ccc5F)cc4)n(Cc4ccco4)c(=O)c23)C1,VKJGXJWYOTZVSH-UHFFFAOYSA-N
rxn:4:213445:223570,COc1ccc(-c2cnn3cc(C)c(-c4ccc5c(-c6c(F)ncc7c6ccn7[Si](C(C)C)(C(C)C)C(C)C)c(OC)ccc5c4)nc23)cc1OC,ULFOQAQLCFQUDW-UHFFFAOYSA-N
rxn:4:213480:224013,CO[C@]12C[C@@H](COC(=O)c3cncc(-c4cnc(-c5ccc(C(F)(F)F)cc5)nc4Cl)c3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13,MWHDRDDUCRALTK-AVSRAWEBSA-N
rxn:4:214344:223570,COc1ccc(N2C(=O)C3ON(c4ccc(-c5c(F)ncc6c5ccn6[Si](C(C)C)(C(C)C)C(C)C)cc4)C(c4cccnc4)C3C2=O)cc1,WACHNEHYDOSQRK-UHFFFAOYSA-N
rxn:4:214362:224835,CCn1cc(-c2nc(-c3ccc(-c4cc(C(F)(F)F)nn4S(=O)(=O)N(C)C)cc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21,KSKKPCUTQQSUFJ-UHFFFAOYSA-N
rxn:4:214388:223363,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4cnc5[nH]nc(C)c5c4)c(OC)cc12)CC3,YHMPFFGUCQWUSN-UHFFFAOYSA-N
rxn:4:218764:223980,CCN1CCN(S(=O)(=O)c2cccc(-c3nc4c(c(=O)n(CCCc5ccccc5)c(=O)n4C)n3Cc3ccccc3Cl)c2)CC1,UBKMCFWAWXETRO-UHFFFAOYSA-N
rxn:4:219189:222694,COc1ccc(-c2cccc(S(=O)(=O)NC3CCCCC3)c2)cc1-c1nc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c(C)o1,WCZYXXASEHIBCT-UHFFFAOYSA-N
rxn:4:219780:222811,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc(Cl)nc(NC(=O)OC(C)(C)C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1,XHDGEHCQRIBKHG-UHFFFAOYSA-N
rxn:4:221761:224670,CN1CCN(Cc2ccc(F)c(-c3ccc(N4CCCn5c4nc4c5c(=O)n(Cc5c(F)cccc5Cl)c(=O)n4C)cc3)c2)CC1,FURIALOZYYMUHR-UHFFFAOYSA-N
rxn:4:221765:222700,Cc1ccc(Cn2c(=O)c3c(nc4n(-c5ccc(-c6ccc(C(F)(F)F)cc6C6CCCNC6)cc5)c(C)cn34)n(C)c2=O)cc1,GPUXPUQJGREYKW-UHFFFAOYSA-N
rxn:4:221772:222996,CC1CN(c2ccc(-c3ccc(F)cc3C3CCCNC3)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1,OKOSWYWCVWERSH-UHFFFAOYSA-N
rxn:4:221782:223063,Cc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(F)nc(C5CCNCC5)c4)cc3)c(=O)n2C)c(C)c1,GMJYJBNZHVTQIM-UHFFFAOYSA-N
rxn:4:221791:223105,CNS(=O)(=O)c1cc(-c2ccc(N3CCCn4c3nc3c4c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)cc2)c(F)cc1C,XWZLNTRVAAQWKX-UHFFFAOYSA-N
rxn:4:221986:223479,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)cc2)CC1,WWBRXQBPTTUGDI-UHFFFAOYSA-N
rxn:4:222133:223994,Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1ccc(-c2nnc3n(CCc4ccccc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1,ZKELUXKCNVITJO-UHFFFAOYSA-N
rxn:4:222135:222537,COc1ccc(-c2cc(C3CCCC3)nc(C3CCCNC3)c2)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,RUTHALMXMYSZKP-UHFFFAOYSA-N
rxn:4:222245:222700,CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccccc5-c5ccc(C(F)(F)F)cc5C5CCCNC5)no4)cnc32)cc1,NHOOGIPYDJTHSJ-UHFFFAOYSA-N
rxn:4:222250:222700,Cc1cn2c3c(=O)n(Cc4ccc(-c5ccc(C(F)(F)F)cc5C5CCCNC5)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1,HKRLDWVUAFRKEC-UHFFFAOYSA-N
rxn:4:222339:222483,Cc1ccc(NC(=O)c2ccc(F)c(-c3cncc(N4CCN(c5cc(N6CCN(C)CC6)nc(C)n5)CC4)c3)c2)c(C)c1,ILFRSQSHQTWKME-UHFFFAOYSA-N
rxn:4:222362:223159,CCNC(=O)c1ccc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1Cl,BHIVDWALSYACPZ-UHFFFAOYSA-N
rxn:4:222362:224114,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(F)ccc6OCCc6ccccc6)cc6[nH]ncc56)nn4)cn3c2)CC1,SAVBSNQXVOHBGB-UHFFFAOYSA-N
rxn:4:222363:224464,CCc1ccc(-c2ccc(-c3cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c4c3N3CCN(Cc4cc(C)on4)CC3)c(F)c2)cc1,CGGGOQACVJGUCV-UHFFFAOYSA-N
rxn:4:174361:222423,COc1ccc(OS(=O)(=O)c2ccc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c(OC)c2)cc1,DPGJEJFQGKGELA-UHFFFAOYSA-N
rxn:4:176277:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,MUTAVTTYPWOTHG-UHFFFAOYSA-N
rxn:4:176288:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3F)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,SRSIGYINULZFOP-UHFFFAOYSA-N
rxn:4:176291:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3cccc(F)c3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OSLXWLIBMAQDHU-UHFFFAOYSA-N
rxn:4:188009:223570,CCCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(-c2c(F)ncc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,YIWLOZDCNAVIFZ-UHFFFAOYSA-N
rxn:4:194802:222465,Cc1ccc(N2C(=O)C3C(c4ccc(-c5cc(C6CCCCC6)nc(C6CCCNC6)c5)cc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1C,BGQLOQHGPCMWRE-UHFFFAOYSA-N
rxn:4:200903:222423,COc1ccccc1N1CCN(S(=O)(=O)c2cc(C)c(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)cc2C(C)C)CC1,YZXPGLVTBQTZMB-UHFFFAOYSA-N
rxn:4:201028:222389,CCOc1ccc(C(=O)N=c2sc3cc(-c4cc(C5CCNCC5)nc(C5CCNCC5)c4)ccc3n2CC)cc1,KWSXVKVERPNDCY-UHFFFAOYSA-N
rxn:4:202605:222423,CCOc1cc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)ccc1-c1cccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)c1OC,YKWCPGIYSVGKCW-UHFFFAOYSA-N
rxn:4:202707:222423,COc1c(-c2ccc(CN3C(=O)N(c4cccc(SC)c4)C4CS(=O)(=O)CC43)c(F)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XBYNMOVWXICVFB-UHFFFAOYSA-N
rxn:4:202717:222423,COc1c(-c2ccc3oc(=O)c(C(=O)N4CCSC4c4ccc(N(C)C)cc4)cc3c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,QYCKSDWYNCJLBM-UHFFFAOYSA-N
rxn:4:212741:222508,CC1CN(Cc2ccc(-c3cc(C(=O)NCc4ccc(F)cc4)ccc3Cl)cc2N2CCCC2)CCN1C(=O)OC(C)(C)C,INRVZENNEVGTKO-UHFFFAOYSA-N
rxn:4:212748:224580,Cc1nccn1-c1ccc(C2CC2)c(-c2cc(CN3CCCCC3)cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)c2)c1,LRLIQJGPWGJOBI-UHFFFAOYSA-N
rxn:4:212846:222703,CC(=O)N1CCc2c(sc3nc(SCc4ccc(-c5ccc(C(F)(F)F)c(C6CCNCC6)c5)cc4)n(Cc4ccco4)c(=O)c23)C1,FIOFPGRUVRLWJI-UHFFFAOYSA-N
rxn:4:213429:222389,O=C1CC(c2nc3ccccc3n2CCc2ccccc2)CN1c1ccc(-c2cc(C3CCNCC3)nc(C3CCNCC3)c2)cc1,WUAKBZNPWRCJLB-UHFFFAOYSA-N
rxn:4:221277:225826,CN1CCN(c2cncc(-c3ccc(Cn4c(=O)c5c(nc6n5CCCN6c5ccc(Oc6ccccc6)cc5)n(C)c4=O)cc3)c2)CC1,NIUGPCKYGXZMKE-UHFFFAOYSA-N
rxn:4:221543:223557,Cc1cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(-c2c(F)ccc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)cc1,KOUIKGVIHDXELJ-UHFFFAOYSA-N
rxn:4:221569:222847,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)c(=O)n2C)cc1,XSODKKGTQZQTCL-UHFFFAOYSA-N
rxn:4:221784:222615,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(CC(C)C)cc(C5CCNCC5)c4)cc3)n(C)c2=O)c1,PVFNEMAWKWRWTP-UHFFFAOYSA-N
rxn:4:222135:222985,COc1ccc(-c2ccc(C3CCCNC3)nc2C)cc1-c1nnc2n(Cc3ccccc3)c3c(=O)n(C)c(=O)n(C)c3n12,ANGKGHSNYUNFQL-UHFFFAOYSA-N
rxn:4:222249:222740,CCOc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(-c6cc(C(C)C)nc(C7CCCNC7)c6)o5)CC4)ncnc32)cc1,CGTUGFIBWKFZRA-UHFFFAOYSA-N
rxn:4:222303:222423,COc1c(-c2cnc(OCC3CCCN(c4ncnc5c4cnn5C)C3)nc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,APYXYLOQIXSDHM-UHFFFAOYSA-N
rxn:4:222362:222648,Cc1cc(C)c(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1NC(=O)OC(C)(C)C,HMNYRUSWZAXRBW-UHFFFAOYSA-N
rxn:4:222363:223961,Cc1cc(CN2CCN(c3c(-c4ccc(S(=O)(=O)N(C)c5ccccc5)cc4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FHILEWXGZIKJTI-UHFFFAOYSA-N
rxn:4:222363:224367,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(OCC(C)C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,PNXSRRVPQZRKLU-UHFFFAOYSA-N
rxn:4:222363:226511,Cc1cc(CN2CCN(c3c(-c4cc(Cl)cnc4OCC4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,FQXQMMRHICLKCF-UHFFFAOYSA-N
rxn:4:222363:226797,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5)c(Cl)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,NTODTSJGYZLRGD-UHFFFAOYSA-N
rxn:4:222363:226802,Cc1cc(CN2CCN(c3c(-c4cnc(-n5ccnc5)cc4F)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,UOKBRPOWUXPCHC-UHFFFAOYSA-N
rxn:4:222363:229016,Cc1cc(CN2CCN(c3c(-c4ccsc4C4CC4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,IVTZVVKDNRQGHC-UHFFFAOYSA-N
rxn:4:176281:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3cccc(Cl)c3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,GNQDTPPGHPEPCR-UHFFFAOYSA-N
rxn:4:176282:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccccc3Cl)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,COKMWKYOPPPKSR-UHFFFAOYSA-N
rxn:4:176283:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccc(Cl)cc3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,RXBUVJZHWVGAKZ-UHFFFAOYSA-N
rxn:4:176289:222423,COc1c(-c2ccc(S(=O)(=O)Oc3ccc4c(c3)OC(=Cc3ccc(F)cc3)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,IYKBSPGMHGULHQ-UHFFFAOYSA-N
rxn:4:176313:222423,COc1c(-c2ccc(COc3ccc4c(c3)OC(=CC3=Cc5ccccc5OC3C)C4=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,XVUOLYPEFVNTCO-UHFFFAOYSA-N
rxn:4:178566:222423,COc1c(-c2ccc(-c3c(C)c4ccc(OC(C)=O)cc4oc3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,ZBJHAJQBLQRMOK-UHFFFAOYSA-N
rxn:4:188018:222459,COc1cc(C2c3c(oc4ccc(-c5cc(C(=O)Nc6ccc([N+](=O)[O-])cc6)ccc5F)cc4c3=O)C(=O)N2C)cc(OC)c1OC,NMOMLORIWGLIFZ-UHFFFAOYSA-N
rxn:4:202799:222466,COC(=O)c1ccc(C2c3c(oc4ccc(-c5cc(C6CCCCC6)nc(C6CCNCC6)c5)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,YFAQGPCDJCEHPA-UHFFFAOYSA-N
rxn:4:213451:223590,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5C)cc43)C(=O)N2c2ccc(CC)cc2)cc1,ZXSUXTADCBPQEY-UHFFFAOYSA-N
rxn:4:213451:224291,CCc1ccc(N=C2SC(=C3C(=O)N(CC)c4ccc(-c5ccc(OCCN6CCOCC6)c(F)c5)cc43)C(=O)N2c2ccc(CC)cc2)cc1,HCTCETHIZDNJHN-UHFFFAOYSA-N
rxn:4:214388:226278,COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1c(C)n(C)c2cc(-c4ccc(OCC(C)C)nc4C)c(OC)cc12)CC3,SUOPMRKLDBOIGS-UHFFFAOYSA-N
rxn:4:219780:223890,CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cc6ncn(Cc7ccccc7)c6cc5F)c(C(F)F)cc43)nn2C2CCOCC2)C1,SVSYDQGQGLFZOS-UHFFFAOYSA-N
rxn:4:220239:223688,CCN1CCN(S(=O)(=O)c2ccc(OC)c(-c3c4c(nn3Cc3ccccc3)C(=O)N([C@H]3COc5ccccc5N(C)C3=O)CC4)c2)CC1,LTXUYAMOFGIZEQ-PMERELPUSA-N
rxn:4:221273:222465,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCCC4)nc(C4CCCNC4)c3)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,JUNMKAOKYJBUAG-UHFFFAOYSA-N
rxn:4:221273:222846,Cn1c(=O)n(Cc2ccc(-c3cc(C4CCCNC4)ccc3C#N)cc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,PRPPKIANJAZXRX-UHFFFAOYSA-N
rxn:4:221274:223699,Cn1c(=O)n(CCCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C(F)(F)F)cc1,KGQSNYFPRYJTCM-UHFFFAOYSA-N
rxn:4:221539:222848,CCc1cc(-c2ccc(Cn3c(CN4CC(C)OC(C)C4)nc4c3c(=O)n(C)c(=O)n4C)cc2)cc(C2CCCNC2)n1,XLSHNHSXOQWATN-UHFFFAOYSA-N
rxn:4:221570:223841,COc1cccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccc(-c4cc(S(=O)(=O)N5CCN(C)CC5)c(C)cc4F)cc3)c(=O)n2C)c1,FJZXMGOXRNSJTR-UHFFFAOYSA-N
rxn:4:221782:222730,CCCc1cc(-c2ccc(Cn3c(=O)c4c(nc5n4CCCN5c4ccc(C)cc4C)n(C)c3=O)cc2)cc(C2CCNCC2)n1,RSQBTLDRZRUESU-UHFFFAOYSA-N
rxn:4:221790:222730,CCCc1cc(-c2ccc(N3CC(C)Cn4c3nc3c4c(=O)n(Cc4ccccc4C)c(=O)n3C)cc2)cc(C2CCNCC2)n1,ATSURBIFQWDCOK-UHFFFAOYSA-N
rxn:4:221990:223569,COc1ccc(-c2cnc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2F)cc1-c1nnc2n(CCC(C)C)c3c(=O)n(C)c(=O)n(C)c3n12,HYSORWRSIVIFBR-UHFFFAOYSA-N
rxn:4:221995:223674,Cc1c(C)n2c3c(=O)n(Cc4ccc(-c5ccc(COc6cc(C(F)(F)F)ccc6Cl)cc5)cc4)c(=O)n(C)c3nc2n1CCN1CCOCC1,NSBITBPMKUHKMS-UHFFFAOYSA-N
rxn:4:221995:226692,Cc1noc(C)c1-c1ccc(-c2ccc(Cn3c(=O)c4c(nc5n(CCN6CCOCC6)c(C)c(C)n45)n(C)c3=O)cc2)s1,LACQHGNZIGIWHB-UHFFFAOYSA-N
rxn:4:222144:225231,Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(-c2cnc(Cl)c(N3CCCCC3C)c2)cc1,AUMPZOAMDJJVJQ-UHFFFAOYSA-N
rxn:4:222362:222628,CC1(C)CCN(Cc2ccc3nc(Cn4cc(-c5cc(-c6cc(C7CCC7)nc(C7CCCNC7)c6)cc6[nH]ncc56)nn4)cn3c2)CC1,QLYNWPBHHVSZHH-UHFFFAOYSA-N
rxn:4:222362:222740,CC(C)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)n1,MTFTVQHBMXCNQO-UHFFFAOYSA-N
rxn:4:222362:224611,COCCn1cc(-c2cccc(-c3cc(-c4cn(Cc5cn6cc(CN7CCC(C)(C)CC7)ccc6n5)nn4)c4cn[nH]c4c3)c2)cn1,UFVHTCMDXVAJDO-UHFFFAOYSA-N
rxn:4:222362:226597,CC(C)Oc1c(F)cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc1F,BOXMMQNIPWZSDU-UHFFFAOYSA-N
rxn:4:222363:223685,Cc1cc(CN2CCN(c3c(-c4ccc(OC(F)(F)F)c(OCc5cccnc5)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CADRXCKCMWODTK-UHFFFAOYSA-N
rxn:4:222363:229268,Cc1cc(CN2CCN(c3c(-c4cc(C)c(Cl)s4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,CTIJXYCFOHJHAC-UHFFFAOYSA-N
rxn:4:173706:222423,CCCC(=O)c1cc2c(cc(-c3cccc(-c4nc5ccc6[nH]ncc6c5c5c4CCC5)c3OC)c3oc(C)c(C(=O)OCC)c32)oc1=O,CVFODPAHAAPFRA-UHFFFAOYSA-N
rxn:4:176005:222423,COc1c(-c2ccc(OCc3ccccc3)c(Cl)c2C2OCCO2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,AHYUDKAKYGWTGX-UHFFFAOYSA-N
rxn:4:185578:222423,COc1c(-c2ccc(-c3c(C(F)(F)F)oc4cc(OC(=O)N5CCOCC5)ccc4c3=O)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,LYUOJGUFQPADGD-UHFFFAOYSA-N
rxn:4:204808:222423,COc1c(-c2ccc(N3C=C(C(=O)N4CCOCC4)S(=O)(=O)c4ccc(Cl)cc43)cc2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,HCMRKVJKAQMHTK-UHFFFAOYSA-N
rxn:4:212751:223755,CC1CCN(CCCOc2ccc(-c3cc(CN4CCC(F)(F)CC4)cc(N4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)cc2F)CC1,LSBPHKISSGKAFG-UHFFFAOYSA-N
rxn:4:218774:223980,CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cc(-c6cccc(S(=O)(=O)N7CCN(CC)CC7)c6)ccc5OC)oc4C)ccn3n2)cc1,IGACQDJUUDKBRT-UHFFFAOYSA-N
rxn:4:219200:222423,COc1c(-c2cccc(CSc3nnc4n(Cc5ccc(F)cc5)c(=O)c5sccc5n34)c2)cccc1-c1nc2ccc3[nH]ncc3c2c2c1CCC2,OVDDFMRPCLFPQT-UHFFFAOYSA-N
rxn:4:221547:222488,COCCn1c(=O)c2c(nc3n2CCCN3c2ccc(-c3cc(NC(=O)OCc4ccccc4)cnc3C)cc2)n(C)c1=O,WVOAYLXLOJEGDB-UHFFFAOYSA-N
rxn:4:221575:224753,Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1,XPKKNBJKCFEJFX-UHFFFAOYSA-N
rxn:4:221781:222854,COc1ccc(C2CCCNC2)cc1-c1ccc(Cn2c(=O)c3c(nc4n3CCCN4c3cccc(C)c3C)n(C)c2=O)cc1,SEUITACNFBUHRX-UHFFFAOYSA-N
rxn:4:221784:222847,Cc1ccc(C)c(Cn2c(=O)c3c(nc4n3CCCN4c3ccc(-c4cc(C#N)cc(C5CCCNC5)c4)cc3)n(C)c2=O)c1,FDQHKLPUVWZBAA-UHFFFAOYSA-N
rxn:4:222362:222622,CCC(C)c1cc(-c2cc(-c3cn(Cc4cn5cc(CN6CCC(C)(C)CC6)ccc5n4)nn3)c3cn[nH]c3c2)cc(C2CCCNC2)n1,OEPVZZKEATZLOR-UHFFFAOYSA-N
rxn:4:222363:227151,Cc1cc(CN2CCN(c3c(-c4cc5c(cnn5C)cc4C)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,VQQXMRFDNUKWRN-UHFFFAOYSA-N
rxn:4:225970:222363,Cc1cc(CN2CCN(c3c(-c4cnc(Cl)c(-n5ccnc5C)c4)cnc4nc(-c5ccc(N6CCN(C)CC6)cc5)[nH]c34)CC2)no1,ZRLYHRMPOWCLPW-UHFFFAOYSA-N